{"text_format":"2","workbook":"xlsx","n_sheets":6,"sheets":["Time course all volunteers","Time course naïve volunteers","Time course semi-immune volunt.","Categorical baseline","Categorical diagnosis","Categorical post-treatment"],"not_rendered":{"charts":0,"images":0,"macros":0,"external_links":0,"defined_names":6,"comments":0,"pivot_tables":0},"unopened":[],"bounds":{"document_bytes":16777216,"sheet_cells":100000,"run_cost":"one","rows_first":2000,"rows_last":500,"rows_between":2000,"halvings":0,"cell_chars":16384,"cell_head_chars":4096},"cells_cut":0,"cells_raw":0,"read":"whole","date_system":"1900"}

{"sheet":"Time course all volunteers","index":0,"n_rows":911,"n_cols":9,"rows_kept":911,"cut":false,"hidden":false,"merged":[]}
["Supplementary Data 1. Putative annotation of differentially abundant metabolite features along the course of P. vivax infection in all volunteers."]
["MatchCategory","mz","theoretical.mz","KEGGID","Name","Formula","MonoisotopicMass","Adduct","Annotation_level"]
["Unique",114.0665599,114.066176,"C00791","Creatinine;1-Methylglycocyamidine","C4H7N3O",113.05889999999999,"M+H",1]
["Unique",162.1129971,162.11247599999999,"C00318","L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium hydroxide, inner salt;Levocarnitine;(R)-Carnitine","C7H15NO3",161.1052,"M+H",1]
["Unique",166.08680269999999,166.086276,"C00079","L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid","C9H11NO2",165.07900000000001,"M+H",1]
["Unique",176.06637019999999,176.066576,"C03139","N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid","C5H9N3O4",175.05930000000001,"M+H",1]
["Unique",182.08180229999999,182.081176,"C01536","Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid","C9H11NO3",181.07390000000001,"M+H",1]
["Unique",209.092747,209.09207599999999,"C00328","L-Kynurenine;3-Anthraniloyl-L-alanine","C10H12N2O3",208.0848,"M+H",1]
["Multiple",85.028651960000005,85.028375999999994,"C06144","3-Butynoate;But-3-ynoate","C4H4O2",84.021100000000004,"M+H",3]
["Multiple",85.028651960000005,85.028375999999994,"C02648","4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal","C4H4O2",84.021100000000004,"M+H",3]
["Multiple",85.028651960000005,85.028375999999994,"C17601","2(5H)-Furanone;gamma-Crotonolactone;Butenolide","C4H4O2",84.021100000000004,"M+H",3]
["Multiple",85.028651960000005,85.028375999999994,"C17602","2(3H)-Furanone;alpha-Crotonolactone","C4H4O2",84.021100000000004,"M+H",3]
["Multiple",85.065073589999997,85.064775999999995,"C07330","3-Methyl-2-butenal;3-Methylbut-2-enal;3,3-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal","C5H8O",84.057500000000005,"M+H",3]
["Multiple",85.065073589999997,85.064775999999995,"C00557","Cyclopentanone","C5H8O",84.057500000000005,"M+H",3]
["Multiple",85.065073589999997,85.064775999999995,"C15604","Prenal","C5H8O",84.057500000000005,"M+H",3]
["Unique",85.101433970000002,85.101175999999995,"C11249","Cyclohexane","C6H12",84.093900000000005,"M+H",3]
["Multiple",86.096669469999995,86.096376000000006,"C20809","(R)-2-Methylpyrrolidine","C5H11N",85.089100000000002,"M+H",3]
["Multiple",86.096669469999995,86.096376000000006,"C01746","Piperidine;Azacyclohexane;Hexahydropyridine","C5H11N",85.089100000000002,"M+H",3]
["Multiple",87.044334640000002,87.044076000000004,"C01771","2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid","C4H6O2",86.036799999999999,"M+H",3]
["Multiple",87.044334640000002,87.044076000000004,"C16267","Cyclopropanecarboxylate","C4H6O2",86.036799999999999,"M+H",3]
["Multiple",87.044334640000002,87.044076000000004,"C16835","Succinic aldehyde;Succindialdehyde","C4H6O2",86.036799999999999,"M+H",3]
["Multiple",87.044334640000002,87.044076000000004,"C01770","gamma-Butyrolactone;1,4-Lactone","C4H6O2",86.036799999999999,"M+H",3]
["Multiple",87.044334640000002,87.044076000000004,"C19443","Methyl acrylate","C4H6O2",86.036799999999999,"M+H",3]
["Multiple",87.044334640000002,87.044076000000004,"C19309","Vinyl acetate","C4H6O2",86.036799999999999,"M+H",3]
["Multiple",87.044334640000002,87.044076000000004,"C00741","Diacetyl;Biacetyl;Dimethylglyoxal;2,3-Butanedione","C4H6O2",86.036799999999999,"M+H",3]
["Multiple",87.044334640000002,87.044076000000004,"C02497","2-Butyne-1,4-diol;1,4-Butynediol","C4H6O2",86.036799999999999,"M+H",3]
["Multiple",87.044334640000002,87.044076000000004,"C19201","beta-Butyrolactone","C4H6O2",86.036799999999999,"M+H",3]
["Multiple",88.039583820000004,88.039276000000001,"C06695","2-Oxazolidinone","C3H5NO2",87.031999999999996,"M+H",3]
["Multiple",88.039583820000004,88.039276000000001,"C02218","Dehydroalanine;2-Aminoacrylate","C3H5NO2",87.031999999999996,"M+H",3]
["Multiple",88.039583820000004,88.039276000000001,"C20253","Aminoacrylate;(Z)-3-Aminoacrylate","C3H5NO2",87.031999999999996,"M+H",3]
["Unique",93.070169669999999,93.069875999999994,"C01455","Toluene;Methylbenzene;Toluol","C7H8",92.062600000000003,"M+H",3]
["Multiple",95.049433260000001,95.049176000000003,"C15584","Phenol","C6H6O",94.041899999999998,"M+H",3]
["Multiple",95.049433260000001,95.049176000000003,"C01782","Arene oxide","C6H6O",94.041899999999998,"M+H",3]
["Multiple",95.049433260000001,95.049176000000003,"C00146","Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid","C6H6O",94.041899999999998,"M+H",3]
["Multiple",96.961311249999994,96.960676000000007,"C14039","1,1-Dichloroethylene;Vinylidene chloride;1,1-DCE","C2H2Cl2",95.953400000000002,"M+H",3]
["Multiple",96.961311249999994,96.960676000000007,"C06791","trans-1,2-Dichloroethene;trans-Acetylene dichloride","C2H2Cl2",95.953400000000002,"M+H",3]
["Multiple",96.961311249999994,96.960676000000007,"C06792","cis-1,2-Dichloroethene;cis-Acetylene dichloride","C2H2Cl2",95.953400000000002,"M+H",3]
["Multiple",98.984474570000003,98.984176000000005,"C00009","Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid","H3PO4",97.976900000000001,"M+H",3]
["Multiple",98.984474570000003,98.984275999999994,"C12554","Potassium acetate","C2H3O2. K",97.977000000000004,"M+H",3]
["Multiple",99.044364520000002,99.044076000000004,"C20578","Tulipalin A;2-Methylenebutanolactone","C5H6O2",98.036799999999999,"M+H",3]
["Multiple",99.044364520000002,99.044076000000004,"C20441","Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol","C5H6O2",98.036799999999999,"M+H",3]
["Multiple",99.080667430000005,99.080476000000004,"C08497","(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde","C6H10O",98.0732,"M+H",3]
["Multiple",99.080667430000005,99.080476000000004,"C16310","3-Hexenal;(3Z)-Hexenal","C6H10O",98.0732,"M+H",3]
["Multiple",99.080667430000005,99.080476000000004,"C00414","Cyclohexanone","C6H10O",98.0732,"M+H",3]
["Multiple",100.0759391,100.075676,"C18796","(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile","C5H9NO",99.068399999999997,"M+H",3]
["Multiple",100.0759391,100.075676,"C11118","N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone","C5H9NO",99.068399999999997,"M+H",3]
["Unique",100.112337,100.112076,"C00571","Cyclohexylamine;Cyclohexanamine","C6H13N",99.104799999999997,"M+H",3]
["Multiple",101.0600274,101.059676,"C08279","Tiglic acid;(E)-2,3-Dimethylacrylic acid","C5H8O2",100.05240000000001,"M+H",3]
["Multiple",101.0600274,101.059676,"C02240","5-Valerolactone;delta-Valerolactone;gamma-Valerolactone","C5H8O2",100.05240000000001,"M+H",3]
["Multiple",101.0600274,101.059676,"C12518","Glutaral;1,5-Pentanedial;Glutaraldehyde","C5H8O2",100.05240000000001,"M+H",3]
["Multiple",101.0600274,101.059676,"C15499","Pentane-2,4-dione;Acetylacetone;2,4-Dioxopentane","C5H8O2",100.05240000000001,"M+H",3]
["Multiple",101.0600274,101.059676,"C19238","Ethyl acrylate","C5H8O2",100.05240000000001,"M+H",3]
["Multiple",101.0600274,101.059676,"C14527","Methyl methacrylate;MMA;Methyl 2-methylpropenoate","C5H8O2",100.05240000000001,"M+H",3]
["Multiple",101.0963821,101.096076,"C02373","4-Methylpentanal;Isocaproaldehyde;Isohexanal","C6H12O",100.08880000000001,"M+H",3]
["Multiple",101.0963821,101.096076,"C02893","Unsaturated alcohol","C6H12O",100.08880000000001,"M+H",3]
["Multiple",101.0963821,101.096076,"C19263","Methyl isobutyl ketone","C6H12O",100.08880000000001,"M+H",3]
["Multiple",101.0963821,101.096076,"C08492","3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol","C6H12O",100.08880000000001,"M+H",3]
["Multiple",101.0963821,101.096076,"C00854","Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol","C6H12O",100.08880000000001,"M+H",3]
["Multiple",102.1280367,102.12767599999999,"C08306","Hexylamine;1-Hexanamine","C6H15N",101.1204,"M+H",3]
["Multiple",102.1280367,102.12767599999999,"C14691","Triethylamine;N,N-Diethylethanamine","C6H15N",101.1204,"M+H",3]
["Unique",103.0321584,103.032476,"C14398","Ethylenethiourea;2-Mercaptoimidazoline","C3H6N2S",102.0252,"M+H",3]
["Multiple",103.0756748,103.07537600000001,"C00803","Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid","C5H10O2",102.0681,"M+H",3]
["Multiple",103.0756748,103.07537600000001,"C08262","3-Methylbutanoic acid;Isovaleric acid;Isovalerate","C5H10O2",102.0681,"M+H",3]
["Multiple",103.0756748,103.07537600000001,"C18319","2-Methylbutyrate;2-Methylbutyric acid","C5H10O2",102.0681,"M+H",3]
["Multiple",107.0494673,107.049176,"C00193","Aromatic aldehyde","C7H6O",106.0419,"M+H",3]
["Multiple",107.0494673,107.049176,"C00261","Benzaldehyde;Benzoic aldehyde","C7H6O",106.0419,"M+H",3]
["Multiple",107.04948039999999,107.049176,"C00261","Benzaldehyde;Benzoic aldehyde","C7H6O",106.0419,"M+H",3]
["Multiple",107.04948039999999,107.049176,"C00193","Aromatic aldehyde","C7H6O",106.0419,"M+H",3]
["Multiple",107.0705885,107.07027600000001,"C14689","Diethylene glycol;2,2'-Oxydiethanol;1,5-Dihydroxy-3-oxapentane","C4H10O3",106.063,"M+H",3]
["Multiple",107.0705885,107.07051800000001,"C06178","1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium","C5H10N",84.081299999999999,"M+Na",3]
["Multiple",108.0811042,108.080776,"C15562","Benzylamine;Benzenemethanamine","C7H9N",107.0735,"M+H",3]
["Multiple",108.0811042,108.080776,"C02299","N-Methylaniline;N-Methylbenzenamine","C7H9N",107.0735,"M+H",3]
["Multiple",108.0811042,108.080776,"C14403","ortho-Toluidine;o-Toluidine;2-Aminotoluene","C7H9N",107.0735,"M+H",3]
["Multiple",110.02031220000001,110.021218,"C06695","2-Oxazolidinone","C3H5NO2",87.031999999999996,"M+Na",3]
["Multiple",110.02031220000001,110.021218,"C20253","Aminoacrylate;(Z)-3-Aminoacrylate","C3H5NO2",87.031999999999996,"M+Na",3]
["Multiple",110.02031220000001,110.021218,"C02218","Dehydroalanine;2-Aminoacrylate","C3H5NO2",87.031999999999996,"M+Na",3]
["Multiple",111.02052879999999,111.02057600000001,"C19406","Dimethyl hydrogen phosphite","C2H7O3P",110.0133,"M+H",3]
["Multiple",111.02052879999999,111.020776,"C18676","alpha-Chlorohydrin;3-Monochloro-1,2-propanediol","C3H7ClO2",110.01349999999999,"M+H",3]
["Multiple",111.02052879999999,111.02057600000001,"C18401","Fosetyl","C2H7O3P",110.0133,"M+H",3]
["Multiple",111.0444133,111.044076,"C01751","Resorcinol;Resorcin;1,3-Benzenediol;1,3-Dihydroxybenzene;m-Hydroquinone","C6H6O2",110.0368,"M+H",3]
["Multiple",111.0444133,111.044076,"C00530","Hydroquinone;p-Benzenediol;1,4-Benzenediol;1,4-Dihydroxybenzene;Benzene-1,4-diol;Quinol;4-Hydroxyphenol","C6H6O2",110.0368,"M+H",3]
["Multiple",111.0444133,111.044076,"C00090","Catechol;1,2-Benzenediol;o-Benzenediol;1,2-Dihydroxybenzene;Brenzcatechin;Pyrocatechol","C6H6O2",110.0368,"M+H",3]
["Multiple",111.0444133,111.044076,"C01785","Benzenediol","C6H6O2",110.0368,"M+H",3]
["Multiple",111.0444133,111.044076,"C11115","5-Methyl-2-furaldehyde;5-Methyl-2-furfural","C6H6O2",110.0368,"M+H",3]
["Multiple",111.0444133,111.044076,"C15571","Catechol","C6H6O2",110.0368,"M+H",3]
["Multiple",113.0352695,113.034576,"C18474","Maleic hydrazide","C4H4N2O2",112.0273,"M+H",3]
["Multiple",113.0352695,113.034576,"C00106","Uracil","C4H4N2O2",112.0273,"M+H",3]
["Multiple",114.05535930000001,114.054976,"C03564","1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate","C5H7NO2",113.04770000000001,"M+H",3]
["Multiple",114.05535930000001,114.054976,"C07275","Glutarimide;Piperidine-2,6-dione;2,6-Diketopiperidine","C5H7NO2",113.04770000000001,"M+H",3]
["Multiple",114.05535930000001,114.054976,"C04322","delta-1-Pyrroline-5-carboxylate;3,4-Dihydro-2H-Pyrrole-2-carboxylate","C5H7NO2",113.04770000000001,"M+H",3]
["Multiple",114.05535930000001,114.054976,"C03912","(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate","C5H7NO2",113.04770000000001,"M+H",3]
["Unique",115.01747659999999,115.01717600000001,"C18773","Ammonium sulfamate","NH4SO3NH2",114.0099,"M+H",3]
["Multiple",115.0393016,115.03897600000001,"C00596","2-Hydroxy-2,4-pentadienoate;cis-2-Hydroxypenta-2,4-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-2,4-dienoate","C5H6O3",114.0317,"M+H",3]
["Multiple",115.0393016,115.03897600000001,"C07091","cis-Acetylacrylate","C5H6O3",114.0317,"M+H",3]
["Multiple",115.050613,115.05017599999999,"C00429","5,6-Dihydrouracil;Dihydro-2,4(1H,3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;5,6-Dihydro-2,4-dihydroxypyrimidine;Hydrouracil;2,4-Dioxotetrahydropyrimidine","C4H6N2O2",114.0429,"M+H",3]
["Multiple",115.050613,115.05017599999999,"C02565","N-Methylhydantoin;N-Methylimidazolidine-2,4-dione","C4H6N2O2",114.0429,"M+H",3]
["Multiple",115.050613,115.05017599999999,"C02777","2,5-Dioxopiperazine;Diketopiperazine;2,5-Diazacyclohexane-1,4-dione;2,5-Piperazinedione;Glycine anhydride","C4H6N2O2",114.0429,"M+H",3]
["Multiple",115.050613,115.05017599999999,"C08311","Muscimol","C4H6N2O2",114.0429,"M+H",3]
["Multiple",115.050613,115.05017599999999,"C02512","3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine","C4H6N2O2",114.0429,"M+H",3]
["Multiple",117.0550356,117.054576,"C03273","5-Oxopentanoate;Glutarate semialdehyde","C5H8O3",116.04730000000001,"M+H",3]
["Multiple",117.0550356,117.054576,"C02233","3-Oxopentanoic acid;3-Oxopentanoate","C5H8O3",116.04730000000001,"M+H",3]
["Multiple",117.0550356,117.054576,"C00141","3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid","C5H8O3",116.04730000000001,"M+H",3]
["Multiple",117.0550356,117.054576,"C06255","2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid","C5H8O3",116.04730000000001,"M+H",3]
["Multiple",117.0550356,117.054918,"C02724","N-Methylpyridinium","C6H8N",94.065700000000007,"M+Na",3]
["Multiple",117.0913446,117.090976,"C12313","cis-1,2-Cyclohexanediol;cis-Cyclohexane-1,2-diol","C6H12O2",116.08369999999999,"M+H",3]
["Multiple",117.0913446,117.090976,"C01585","Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid","C6H12O2",116.08369999999999,"M+H",3]
["Multiple",117.0913446,117.090976,"C12304","Butyl acetate;n-Butyl acetate","C6H12O2",116.08369999999999,"M+H",3]
["Multiple",117.0913446,117.090976,"C02948","4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin","C6H12O2",116.08369999999999,"M+H",3]
["Multiple",117.0913446,117.090976,"C03739","trans-1,2-Cyclohexanediol;trans-Cyclohexane-1,2-diol","C6H12O2",116.08369999999999,"M+H",3]
["Multiple",117.0913446,117.090976,"C12293","Isoamyl formate","C6H12O2",116.08369999999999,"M+H",3]
["Unique",117.1026068,117.102276,"C00990","5-Aminopentanamide","C5H12N2O",116.095,"M+H",3]
["Unique",119.0257014,119.026718,"C11272","Fluorobenzene","C6H5F",96.037499999999994,"M+Na",3]
["Multiple",121.0651688,121.06477599999999,"C02083","Styrene oxide;Styrene-7,8-oxide","C8H8O",120.0575,"M+H",3]
["Multiple",121.0651688,121.06477599999999,"C07113","Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone","C8H8O",120.0575,"M+H",3]
["Multiple",121.0651688,121.06477599999999,"C07214","2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde","C8H8O",120.0575,"M+H",3]
["Multiple",121.0651688,121.06477599999999,"C05627","4-Hydroxystyrene;4-Vinylphenol","C8H8O",120.0575,"M+H",3]
["Multiple",121.0651688,121.06477599999999,"C00601","Phenylacetaldehyde;alpha-Tolualdehyde","C8H8O",120.0575,"M+H",3]
["Multiple",121.0651688,121.06477599999999,"C06758","p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene","C8H8O",120.0575,"M+H",3]
["Multiple",121.0651688,121.06477599999999,"C20782","(S)-2-Phenyloxirane;(S)-Styrene oxide","C8H8O",120.0575,"M+H",3]
["Multiple",121.0651688,121.06477599999999,"C07209","3-Methylbenzaldehyde;m-Tolualdehyde","C8H8O",120.0575,"M+H",3]
["Unique",122.0603978,122.060076,"C09815","Benzamide","C7H7NO",121.0528,"M+H",3]
["Multiple",123.0444119,123.044076,"C00539","Aromatic acid;Aromatic carboxylic acid","C7H6O2",122.0368,"M+H",3]
["Multiple",123.0444119,123.044076,"C03067","3-Hydroxybenzaldehyde","C7H6O2",122.0368,"M+H",3]
["Multiple",123.0444119,123.044076,"C15474","Tropolone","C7H6O2",122.0368,"M+H",3]
["Multiple",123.0444119,123.044076,"C00180","Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid","C7H6O2",122.0368,"M+H",3]
["Multiple",123.0444119,123.044076,"C00633","4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde","C7H6O2",122.0368,"M+H",3]
["Multiple",123.0444119,123.044076,"C06202","Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde","C7H6O2",122.0368,"M+H",3]
["Multiple",123.08083430000001,123.080476,"C07112","1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol","C8H10O",122.0732,"M+H",3]
["Multiple",123.08083430000001,123.080476,"C14385","2-Ethylphenol;o-Ethylphenol","C8H10O",122.0732,"M+H",3]
["Multiple",123.08083430000001,123.080476,"C06757","4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol","C8H10O",122.0732,"M+H",3]
["Multiple",123.08083430000001,123.080476,"C14386","3-Ethylphenol","C8H10O",122.0732,"M+H",3]
["Multiple",123.08083430000001,123.080476,"C05853","Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol","C8H10O",122.0732,"M+H",3]
["Multiple",123.08083430000001,123.080476,"C11348","(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol","C8H10O",122.0732,"M+H",3]
["Multiple",123.08083430000001,123.080476,"C07213","2-Methylbenzyl alcohol","C8H10O",122.0732,"M+H",3]
["Multiple",123.08083430000001,123.080476,"C07216","3-Methylbenzyl alcohol","C8H10O",122.0732,"M+H",3]
["Multiple",123.08083430000001,123.080476,"C14582","2,4-Dimethylphenol;1-Hydroxy-2,4-dimethylbenzene","C8H10O",122.0732,"M+H",3]
["Multiple",123.08083430000001,123.080476,"C13637","4-Ethylphenol;p-Ethylphenol","C8H10O",122.0732,"M+H",3]
["Multiple",123.08083430000001,123.08097600000001,"C18585","Chlormequat","C5H13ClN",122.0737,"M+H",3]
["Unique",124.956756,124.957876,"C07295","Methanearsonous acid;Methylarsonite","CH5AsO2",123.95059999999999,"M+H",3]
["Multiple",125.060142,125.059676,"C15572","Guaiacol","C7H8O2",124.05240000000001,"M+H",3]
["Multiple",125.060142,125.059676,"C01502","o-Methoxyphenol;Guaiacol;Catechol monomethyl ether","C7H8O2",124.05240000000001,"M+H",3]
["Multiple",125.060142,125.059676,"C00727","Orcinol;5-Methyl-1,3-benzenediol;5-Methylresorcinol;3,5-Toluenediol;3,5-Dihydroxytoluene","C7H8O2",124.05240000000001,"M+H",3]
["Multiple",125.060142,125.059676,"C02923","2,3-Dihydroxytoluene;3-Methylcatechol","C7H8O2",124.05240000000001,"M+H",3]
["Multiple",125.060142,125.059676,"C17467","p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol","C7H8O2",124.05240000000001,"M+H",3]
["Multiple",125.060142,125.059676,"C06730","4-Methylcatechol;3,4-Dihydroxytoluene;1,2-Dihydroxy-4-methylbenzene;4-Methyl-1,2-benzenediol","C7H8O2",124.05240000000001,"M+H",3]
["Multiple",125.060142,125.059676,"C03351","3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol","C7H8O2",124.05240000000001,"M+H",3]
["Multiple",125.060142,125.059676,"C02323","Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol","C7H8O2",124.05240000000001,"M+H",3]
["Multiple",127.0393957,127.03897600000001,"C02752","Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone","C6H6O3",126.0317,"M+H",3]
["Multiple",127.0393957,127.03897600000001,"C02814","Benzene-1,2,4-triol;Hydroxyhydroquinone;1,2,4-Benzenetriol;1,2,4-Trihydroxybenzene;Hydroxyquinol","C6H6O3",126.0317,"M+H",3]
["Multiple",127.0393957,127.03897600000001,"C11101","5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural","C6H6O3",126.0317,"M+H",3]
["Multiple",127.0393957,127.03897600000001,"C02183","Phloroglucinol;1,3,5-Benzenetriol;1,3,5-Trihydroxybenzene","C6H6O3",126.0317,"M+H",3]
["Multiple",127.0393957,127.03897600000001,"C11918","Maltol","C6H6O3",126.0317,"M+H",3]
["Multiple",127.0393957,127.03897600000001,"C01108","1,2,3-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;1,2,3-Benzenetriol","C6H6O3",126.0317,"M+H",3]
["Multiple",127.0393957,127.03897600000001,"C20718","4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one","C6H6O3",126.0317,"M+H",3]
["Unique",127.0730755,127.072676,"C08737","Melamine;2,4,6-Triamino-1,3,5-triazine","C3H6N6",126.0654,"M+H",3]
["Unique",127.11214339999999,127.11177600000001,"C07287","Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one","C8H14O",126.1045,"M+H",3]
["Multiple",128.0710311,128.07057599999999,"C08292","alpha-(Methylenecyclopropyl)glycine","C6H9NO2",127.0633,"M+H",3]
["Multiple",128.0710311,128.07057599999999,"C04092","delta1-Piperideine-2-carboxylate;1,2-Didehydropiperidine-2-carboxylate","C6H9NO2",127.0633,"M+H",3]
["Multiple",128.0710311,128.07057599999999,"C10149","Guvacine","C6H9NO2",127.0633,"M+H",3]
["Multiple",128.0710311,128.07057599999999,"C00450","(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate","C6H9NO2",127.0633,"M+H",3]
["Multiple",128.0710311,128.07057599999999,"C08268","L-Baikiain;4,5-Dehydropipecolic acid","C6H9NO2",127.0633,"M+H",3]
["Multiple",128.0710311,128.07057599999999,"C13694","Isoguvacine","C6H9NO2",127.0633,"M+H",3]
["Unique",128.9511425,128.95047600000001,"C11149","Dichloroacetate","C2H2Cl2O2",127.9432,"M+H",3]
["Unique",129.05260369999999,129.05221800000001,"C14689","Diethylene glycol;2,2'-Oxydiethanol;1,5-Dihydroxy-3-oxapentane","C4H10O3",106.063,"M+Na",3]
["Multiple",129.0913989,129.09097600000001,"C10921","Butyl acrylate","C7H12O2",128.08369999999999,"M+H",3]
["Multiple",129.0913989,129.09097600000001,"C08487","Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester","C7H12O2",128.08369999999999,"M+H",3]
["Multiple",129.0913989,129.09097600000001,"C13714","alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone","C7H12O2",128.08369999999999,"M+H",3]
["Multiple",129.0913989,129.09097600000001,"C11950","3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid","C7H12O2",128.08369999999999,"M+H",3]
["Multiple",129.0913989,129.09097600000001,"C10976","1-Oxa-2-oxo-3-methylcycloheptane","C7H12O2",128.08369999999999,"M+H",3]
["Multiple",129.0913989,129.09097600000001,"C09822","Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid","C7H12O2",128.08369999999999,"M+H",3]
["Multiple",129.0913989,129.09097600000001,"C13717","beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone","C7H12O2",128.08369999999999,"M+H",3]
["Unique",130.15946170000001,130.159076,"C01740","Octylamine;N-Octylamine;Monoctylamine","C8H19N",129.15180000000001,"M+H",3]
["Unique",130.96685550000001,130.96607599999999,"C14860","2,2-Dichloro-1,1-ethanediol","C2H4Cl2O2",129.9588,"M+H",3]
["Multiple",136.048619,136.04811799999999,"C00791","Creatinine;1-Methylglycocyamidine","C4H7N3O",113.05889999999999,"M+Na",3]
["Multiple",136.048619,136.04811799999999,"C19280","3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile","C4H7N3O",113.05889999999999,"M+Na",3]
["Multiple",136.0761674,136.07567599999999,"C15561","N-Benzylformamide","C8H9NO",135.0684,"M+H",3]
["Multiple",136.0761674,136.07567599999999,"C19714","(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime","C8H9NO",135.0684,"M+H",3]
["Multiple",136.0761674,136.07567599999999,"C16075","(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime","C8H9NO",135.0684,"M+H",3]
["Multiple",136.0761674,136.07567599999999,"C07565","Acetanilide;N-Phenylacetamide;N-Acetylarylamine","C8H9NO",135.0684,"M+H",3]
["Multiple",136.0761674,136.07567599999999,"C02505","2-Phenylacetamide;alpha-Phenylacetamide","C8H9NO",135.0684,"M+H",3]
["Unique",137.000474,136.99911800000001,"C18773","Ammonium sulfamate","NH4SO3NH2",114.0099,"M+Na",3]
["Multiple",137.0601647,137.059676,"C07086","Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C07215","o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C03765","4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C20645","Methyl benzoate","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C15583","Phenyl acetate","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C14087","3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C07085","3-Vinylcatechol","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C05613","Benzylformate","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C07189","2-Hydroxyacetophenone;omega-Hydroxyacetophenone","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C01454","Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C00548","Phenyl acetate;Acetylphenol;Acetic acid,phenyl ester","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C07211","m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C10761","p-Anisaldehyde","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C06224","3,4-Dihydroxystyrene","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C10700","4'-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one","C8H8O2",136.05240000000001,"M+H",3]
["Unique",137.09657569999999,137.09607600000001,"C14311","4-Propylphenol","C9H12O",136.08879999999999,"M+H",3]
["Multiple",137.10635540000001,137.10727600000001,"C07430","Phenelzine","C8H12N2",136.1,"M+H",3]
["Multiple",137.10635540000001,137.10727600000001,"C04203","N,N-Dimethyl-1,4-phenylenediamine;N,N-Dimethyl-p-phenylenediamine;p-Amino-N,N-dimethylaniline","C8H12N2",136.1,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C00521","(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C16777","Sabinene;Sabinen","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C09839","Car-3-ene;(-)-3-Carene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C06307","(-)-beta-Pinene;(1S,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C11382","(+)-3-Carene;Isodiprene;(+)-Car-3-ene;(1S,6R)-3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C06075","Terpinolene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C06074","Myrcene;beta-Myrcene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C06305","(-)-Comphene;(-)-Camphene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C20242","(-)-Sabinene;(1S,5S)-1-Isopropyl-4-methylenebicyclo[3.1.0]hexane","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C09877","(+)-beta-Phellandrene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C06304","(+)-Comphene;(+)-Camphene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C06308","(-)-alpha-Pinene;(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C06078","Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C06306","(+)-alpha-Pinene;(1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C09898","alpha-Terpinene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C20230","(+)-Sabinene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C11391","(S)-(+)-alpha-Phellandrene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C09875","(R)-(-)-alpha-Phellandrene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C06099","d-Limonene;(+)-Limonene;(+)-(R)-Limonene;(+)-(4R)-Limonene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C09880","alpha-Pinene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C20241","Tricyclene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C06076","Comphene;Camphene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C20244","(+)-beta-Pinene;(1R,5R)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]hept-2-ene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C09900","gamma-Terpinene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C11392","(-)-beta-Phellandrene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C09873","(E)-beta-Ocimene;beta-Ocimene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C09882","beta-Pinene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C19818","beta-Phellandrene","C10H16",136.12520000000001,"M+H",3]
["Multiple",139.03946590000001,139.03897599999999,"C05585","Gentisate aldehyde;2,5-Dihydroxybenzaldehyde","C7H6O3",138.0317,"M+H",3]
["Multiple",139.03946590000001,139.03897599999999,"C00156","4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid","C7H6O3",138.0317,"M+H",3]
["Multiple",139.03946590000001,139.03897599999999,"C00587","3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid","C7H6O3",138.0317,"M+H",3]
["Multiple",139.03946590000001,139.03897599999999,"C18316","2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-1,4-benzoquinone","C7H6O3",138.0317,"M+H",3]
["Multiple",139.03946590000001,139.03897599999999,"C10832","Sesamol","C7H6O3",138.0317,"M+H",3]
["Multiple",139.03946590000001,139.03897599999999,"C16700","3,4-Dihydroxybenzaldehyde;Protocatechualdehyde","C7H6O3",138.0317,"M+H",3]
["Multiple",139.03946590000001,139.03897599999999,"C00805","Salicylate;o-Hydroxybenzoic acid;Salicylic acid","C7H6O3",138.0317,"M+H",3]
["Multiple",139.0758452,139.07537600000001,"C11480","2-Methyl-6-oxohepta-2,4-dienal","C8H10O2",138.06809999999999,"M+H",3]
["Multiple",139.0758452,139.07537600000001,"C20694","(2E,4E,6E)-7-Hydroxy-4-methylhepta-2,4,6-trienal","C8H10O2",138.06809999999999,"M+H",3]
["Multiple",139.0758452,139.07537600000001,"C13638","1-(4'-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol","C8H10O2",138.06809999999999,"M+H",3]
["Multiple",139.0758452,139.07537600000001,"C07084","Styrene-cis-2,3-dihydrodiol;cis-3-Ethenylcyclohexa-3,5-diene-1,2-diol","C8H10O2",138.06809999999999,"M+H",3]
["Multiple",139.0758452,139.07537600000001,"C06728","3-Ethylcatechol;2,3-Dihydroxyethylbenzene;3-Ethyl-benzene-1,2-diol","C8H10O2",138.06809999999999,"M+H",3]
["Multiple",139.0758452,139.07537600000001,"C06044","4-Hydroxyphenylethanol;Tyrosol","C8H10O2",138.06809999999999,"M+H",3]
["Multiple",139.0758452,139.07537600000001,"C03352","3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol","C8H10O2",138.06809999999999,"M+H",3]
["Multiple",139.11222670000001,139.11177599999999,"C14743","Isophorone;1,1,3-Trimethyl-3-cyclohexene-5-one","C9H14O",138.1045,"M+H",3]
["Multiple",139.11222670000001,139.11177599999999,"C16323","3,6-Nonadienal","C9H14O",138.1045,"M+H",3]
["Multiple",139.11222670000001,139.11177599999999,"C08499","Nona-2,6-dienal;2,6-Nonadienal, (2E,6Z)-","C9H14O",138.1045,"M+H",3]
["Multiple",140.1075171,140.106976,"C16697","1-Indolizidinone;1-Ketooctahydroindolizine","C8H13NO",139.09970000000001,"M+H",3]
["Multiple",140.1075171,140.106976,"C00783","Tropinone;3-Tropanone","C8H13NO",139.09970000000001,"M+H",3]
["Multiple",140.1075171,140.106976,"C10400","Supinidine","C8H13NO",139.09970000000001,"M+H",3]
["Unique",140.90401629999999,140.90361799999999,"C13827","Chloroform","CHCl3",117.9144,"M+Na",3]
["Multiple",140.9961289,140.994776,"C00227","Acetyl phosphate","C2H5O5P",139.98750000000001,"M+H",3]
["Multiple",140.9961289,140.994776,"C05682","Phosphonoacetate;Phosphonoacetic acid;Fosfonet","C2H5O5P",139.98750000000001,"M+H",3]
["Multiple",141.091454,141.09097600000001,"C06727","cis-1,2-Dihydro-3-ethylcatechol;cis-2,3-Dihydroxy-2,3-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-3,5-diene-1,2-diol","C8H12O2",140.08369999999999,"M+H",3]
["Multiple",141.091454,141.09097600000001,"C19311","4-Vinylcyclohexene diepoxide","C8H12O2",140.08369999999999,"M+H",3]
["Multiple",141.091454,141.09097600000001,"C16656","2-Propyl-2,4-pentadienoic acid;2,4-Diene-VPA","C8H12O2",140.08369999999999,"M+H",3]
["Multiple",141.091454,141.09097600000001,"C18011","7-Hydroxy-6-methylhepta-3,5-dienal","C8H12O2",140.08369999999999,"M+H",3]
["Multiple",142.08675149999999,142.086276,"C10128","Arecaidine","C7H11NO2",141.07900000000001,"M+H",3]
["Multiple",142.08675149999999,142.086276,"C16821","Guvacoline","C7H11NO2",141.07900000000001,"M+H",3]
["Multiple",142.08675149999999,142.086276,"C08287","Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin","C7H11NO2",141.07900000000001,"M+H",3]
["Multiple",142.08675149999999,142.086276,"C07505","Ethosuximide","C7H11NO2",141.07900000000001,"M+H",3]
["Multiple",142.12309339999999,142.12267600000001,"C00729","Tropine;3alpha-Tropanol","C8H15NO",141.11539999999999,"M+H",3]
["Multiple",142.12309339999999,142.12267600000001,"C10864","Physoperuvine","C8H15NO",141.11539999999999,"M+H",3]
["Multiple",142.12309339999999,142.12267600000001,"C06179","Hygrine;(+)-Hygrine","C8H15NO",141.11539999999999,"M+H",3]
["Multiple",142.12309339999999,142.12267600000001,"C02066","Pseudotropine","C8H15NO",141.11539999999999,"M+H",3]
["Multiple",142.12309339999999,142.12267600000001,"C06182","Pelletierine","C8H15NO",141.11539999999999,"M+H",3]
["Multiple",142.12309339999999,142.12267600000001,"C11359","(-)-Hygrine","C8H15NO",141.11539999999999,"M+H",3]
["Multiple",142.12309339999999,142.12267600000001,"C12440","Trachelanthamidine","C8H15NO",141.11539999999999,"M+H",3]
["Unique",142.94931399999999,142.94807599999999,"C13558","Dibasic sodium phosphate;Disodium phosphate","Na2HPO4",141.9408,"M+H",3]
["Unique",142.96737529999999,142.96607599999999,"C18600","Dalapon;2,2-DPA;2,2-Dichloropropanoic acid","C3H4Cl2O2",141.9588,"M+H",3]
["Unique",143.070785,143.07027600000001,"C03767","4-Oxocyclohexanecarboxylate","C7H10O3",142.06299999999999,"M+H",3]
["Unique",144.9826683,144.98157599999999,"C18399","Ethephon","C2H6ClO3P",143.9743,"M+H",3]
["Multiple",146.0605711,146.06007600000001,"C06338","Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol","C9H7NO",145.05279999999999,"M+H",3]
["Multiple",146.0605711,146.06007600000001,"C06324","Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one","C9H7NO",145.05279999999999,"M+H",3]
["Multiple",146.0605711,146.06007600000001,"C02796","3-Methyleneoxindole","C9H7NO",145.05279999999999,"M+H",3]
["Multiple",146.0605711,146.06007600000001,"C06415","2(1H)-Quinolinone;Quinolin-2(1H)-one","C9H7NO",145.05279999999999,"M+H",3]
["Multiple",146.0605711,146.06007600000001,"C08493","Indole-3-carboxaldehyde;Indole-3-carbaldehyde","C9H7NO",145.05279999999999,"M+H",3]
["Multiple",146.0605711,146.06007600000001,"C19434","8-Hydroxyquinoline;Oxyquinoline","C9H7NO",145.05279999999999,"M+H",3]
["Multiple",146.0605711,146.06007600000001,"C06343","4-Hydroxyquinoline;Quinolin-4-ol","C9H7NO",145.05279999999999,"M+H",3]
["Unique",146.98083550000001,146.981718,"C03167","Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate","C2H5O4P",123.99250000000001,"M+Na",3]
["Multiple",149.0602342,149.059676,"C10438","Cinnamic acid;Benzeneacrylic acid","C9H8O2",148.05240000000001,"M+H",3]
["Multiple",149.0602342,149.059676,"C05608","4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde","C9H8O2",148.05240000000001,"M+H",3]
["Multiple",149.0602342,149.059676,"C07728","3-Isochromanone;1,4-Dihydro-3H-2-benzopyran-3-one","C9H8O2",148.05240000000001,"M+H",3]
["Multiple",149.0602342,149.059676,"C00423","trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate","C9H8O2",148.05240000000001,"M+H",3]
["Multiple",149.0602342,149.059676,"C02274","Dihydrocoumarin;3,4-Dihydrocoumarin","C9H8O2",148.05240000000001,"M+H",3]
["Multiple",149.0602342,149.059676,"C17268","Pyruvophenone;1-Phenyl-1,2-propanedione","C9H8O2",148.05240000000001,"M+H",3]
["Multiple",149.0602342,149.059676,"C07720","3-Hydroxy-1-indanone","C9H8O2",148.05240000000001,"M+H",3]
["Multiple",149.09661589999999,149.09607600000001,"C10452","Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol","C10H12O",148.08879999999999,"M+H",3]
["Multiple",149.09661589999999,149.09607600000001,"C10428","Anethole;t-Anethole;trans-Anethole","C10H12O",148.08879999999999,"M+H",3]
["Multiple",149.09661589999999,149.09607600000001,"C14309","5,6,7,8-Tetrahydro-2-naphthol","C10H12O",148.08879999999999,"M+H",3]
["Multiple",149.09661589999999,149.09607600000001,"C17965","trans-Lachnophyllol","C10H12O",148.08879999999999,"M+H",3]
["Multiple",149.09661589999999,149.09607600000001,"C06577","4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde","C10H12O",148.08879999999999,"M+H",3]
["Unique",149.13301060000001,149.132476,"C16993","Ectocarpen","C11H16",148.12520000000001,"M+H",3]
["Multiple",150.01470399999999,150.01611800000001,"C19721","5-Hydroxypyrrole-2-carboxylate","C5H5NO3",127.0269,"M+Na",3]
["Multiple",150.01470399999999,150.01611800000001,"C03458","2,3,6-Trihydroxypyridine","C5H5NO3",127.0269,"M+Na",3]
["Multiple",150.93285560000001,150.93151800000001,"C17478","Calcium oxalate","C2O4. Ca",127.9423,"M+Na",3]
["Multiple",150.93285560000001,150.93241800000001,"C11149","Dichloroacetate","C2H2Cl2O2",127.9432,"M+Na",3]
["Multiple",151.03579149999999,151.036518,"C06719","Dihydrophloroglucinol","C6H8O3",128.04730000000001,"M+Na",3]
["Multiple",151.03579149999999,151.036518,"C11354","2-Hydroxy-cis-hex-2,4-dienoate","C6H8O3",128.04730000000001,"M+Na",3]
["Multiple",151.03579149999999,151.036518,"C20240","(2Z,4Z)-2-Hydroxyhexa-2,4-dienoate;(2Z,4Z)-2-Hydroxyhexa-2,4-dienoic acid","C6H8O3",128.04730000000001,"M+Na",3]
["Multiple",151.03579149999999,151.036518,"C20717","4-Hydroxy-2,5-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone","C6H8O3",128.04730000000001,"M+Na",3]
["Multiple",151.03579149999999,151.036518,"C20443","5-Hydroxymethylfurfuryl alcohol;2,5-Bis(hydroxymethyl)furan","C6H8O3",128.04730000000001,"M+Na",3]
["Multiple",151.03579149999999,151.036518,"C01125","Dihydro-4,4-dimethyl-2,3-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone","C6H8O3",128.04730000000001,"M+Na",3]
["Multiple",151.03579149999999,151.036518,"C06761","(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate","C6H8O3",128.04730000000001,"M+Na",3]
["Multiple",151.07586259999999,151.07537600000001,"C20697","(2E,4E,6E)-4-Methylocta-2,4,6-trienedial","C9H10O2",150.06809999999999,"M+H",3]
["Multiple",151.07586259999999,151.07537600000001,"C15513","Benzyl acetate","C9H10O2",150.06809999999999,"M+H",3]
["Multiple",151.07586259999999,151.07537600000001,"C01963","Tolylacetate;p-Cresyl acetate;p-Tolyacetate","C9H10O2",150.06809999999999,"M+H",3]
["Multiple",151.07586259999999,151.07537600000001,"C16706","4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal","C9H10O2",150.06809999999999,"M+H",3]
["Multiple",151.07586259999999,151.07537600000001,"C02646","4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol","C9H10O2",150.06809999999999,"M+H",3]
["Multiple",151.07586259999999,151.07537600000001,"C05629","Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid","C9H10O2",150.06809999999999,"M+H",3]
["Multiple",151.07586259999999,151.07537600000001,"C19291","Phenyl glycidyl ether","C9H10O2",150.06809999999999,"M+H",3]
["Multiple",151.07586259999999,151.07537600000001,"C17883","4-Vinylguaiacol","C9H10O2",150.06809999999999,"M+H",3]
["Multiple",151.07586259999999,151.07537600000001,"C13342","p-Hydroxypropiophenone;Paroxypropione","C9H10O2",150.06809999999999,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C18623","L-Phenylglycine;Phenylglycine","C8H9NO2",151.0633,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C04350","(E)-4-Hydroxyphenylacetaldehyde-oxime","C8H9NO2",151.0633,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C04353","(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-[4-Hydroxyphenylacetaldehyde oxime]","C8H9NO2",151.0633,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C07301","(R)-Mandelamide","C8H9NO2",151.0633,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C20634","O-Methyl anthranilate","C8H9NO2",151.0633,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C03005","N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid","C8H9NO2",151.0633,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C17755","Dopamine quinone","C8H9NO2",151.0633,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C02709","N-(Acetyloxy)benzenamine","C8H9NO2",151.0633,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C06804","Acetaminophen;Paracetamol","C8H9NO2",151.0633,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C16571","2-Amino-3-methylbenzoate","C8H9NO2",151.0633,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C17756","2-Descarboxy-cyclo-dopa;Indoline-5,6-diol;5,6-Indolinediol","C8H9NO2",151.0633,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C03522","N-Methyl-4-aminobenzoate","C8H9NO2",151.0633,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C01984","(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C10804","2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C14103","4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C00755","4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C10675","3',4'-Dihydroxyacetophenone","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C03663","2',4'-Dihydroxyacetophenone;2,4-Dihydroxyacetophenone;Resacetophenone","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C00642","4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C05852","2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C02657","6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C02519","4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C04043","3,4-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C05593","3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C01983","(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C13635","4-Hydroxyphenacyl alcohol;2,4'-Dihydroxyacetophenone","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C17900","Menisdaurilide","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C13636","4-Hydroxyphenyl acetate","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C12064","Resorcinol monoacetate","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C02181","Phenoxyacetate;Phenoxyacetic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C12305","Methyl salicylate;Methyl 2-hydroxybenzoate","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C14088","3-Methylsalicylate","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C02639","3-Methoxytropolone","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C14108","4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde","C8H8O3",152.04730000000001,"M+H",3]
["Unique",153.99876190000001,153.999076,"C01962","Thiocysteine;S-Mercapto-L-cysteine","C3H7NO2S2",152.99180000000001,"M+H",3]
["Unique",156.99117089999999,156.989676,"C00988","2-Phosphoglycolate;Phosphoglycolic acid","C2H5O6P",155.98240000000001,"M+H",3]
["Unique",157.08401939999999,157.083518,"C20334","1,2,6-Hexanetriol","C6H14O3",134.0943,"M+Na",3]
["Multiple",158.09294410000001,158.09401800000001,"C07884","Dextroamphetamine","C9H13N",135.10480000000001,"M+Na",3]
["Multiple",158.09294410000001,158.09401800000001,"C19539","2,4,5-Trimethylaniline","C9H13N",135.10480000000001,"M+Na",3]
["Multiple",158.09294410000001,158.09401800000001,"C19540","2,4,6-Trimethylaniline","C9H13N",135.10480000000001,"M+Na",3]
["Multiple",158.09294410000001,158.09401800000001,"C07514","Amphetamine","C9H13N",135.10480000000001,"M+Na",3]
["Multiple",158.11807540000001,158.11757600000001,"C10155","Lentiginosine","C8H15NO2",157.1103,"M+H",3]
["Multiple",158.11807540000001,158.11757600000001,"C08283","Homostachydrine","C8H15NO2",157.1103,"M+H",3]
["Multiple",158.11807540000001,158.11757600000001,"C12535","Tranexamic acid","C8H15NO2",157.1103,"M+H",3]
["Multiple",159.0654433,159.06517600000001,"C02631","2-Isopropylmaleate;beta-Isopropylmaleate","C7H10O4",158.05789999999999,"M+H",3]
["Multiple",159.0654433,159.06517600000001,"C04815","5-D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-one;5D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxy-2-cyclohexen-1-one","C7H10O4",158.05789999999999,"M+H",3]
["Multiple",159.0654433,159.06517600000001,"C04670","(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate","C7H10O4",158.05789999999999,"M+H",3]
["Multiple",159.0654433,159.06517600000001,"C05126","Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid, 2-methyl-, dimethyl ester, (Z)-;Citraconate de dimethyle;Citraconic acid, dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid, dimethyl ester","C7H10O4",158.05789999999999,"M+H",3]
["Multiple",159.0654433,159.06411800000001,"C05650","Tetrahydropteridine;5,6,7,8-Tetrahydropteridine","C6H8N4",136.07490000000001,"M+Na",3]
["Multiple",159.0656516,159.06517600000001,"C02631","2-Isopropylmaleate;beta-Isopropylmaleate","C7H10O4",158.05789999999999,"M+H",3]
["Multiple",159.0656516,159.06517600000001,"C04670","(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate","C7H10O4",158.05789999999999,"M+H",3]
["Multiple",159.0656516,159.06517600000001,"C04815","5-D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-one;5D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxy-2-cyclohexen-1-one","C7H10O4",158.05789999999999,"M+H",3]
["Multiple",159.0656516,159.06517600000001,"C05126","Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid, 2-methyl-, dimethyl ester, (Z)-;Citraconate de dimethyle;Citraconic acid, dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid, dimethyl ester","C7H10O4",158.05789999999999,"M+H",3]
["Multiple",159.0656516,159.06411800000001,"C05650","Tetrahydropteridine;5,6,7,8-Tetrahydropteridine","C6H8N4",136.07490000000001,"M+Na",3]
["Multiple",162.9986346,163.00021799999999,"C12838","trans-4-Carboxymethylenebut-2-en-4-olide","C6H4O4",140.011,"M+Na",3]
["Multiple",162.9986346,163.00021799999999,"C04431","cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide","C6H4O4",140.011,"M+Na",3]
["Multiple",162.9986346,163.00021799999999,"C20449","5-Formyl-2-furoate;5-Formyl-2-furancarboxylate","C6H4O4",140.011,"M+Na",3]
["Multiple",163.0395647,163.03897599999999,"C20414","4-Hydroxycoumarin","C9H6O3",162.0317,"M+H",3]
["Multiple",163.0395647,163.03897599999999,"C09315","Umbelliferone;7-Hydroxycoumarin","C9H6O3",162.0317,"M+H",3]
["Multiple",163.07580830000001,163.07537600000001,"C06205","1,2-Dihydronaphthalene-1,2-diol","C10H10O2",162.06809999999999,"M+H",3]
["Multiple",163.07580830000001,163.07537600000001,"C10475","p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde","C10H10O2",162.06809999999999,"M+H",3]
["Multiple",163.07580830000001,163.07537600000001,"C06358","Methyl cinnamate;3-Phenyl-2-propenoic acid methyl","C10H10O2",162.06809999999999,"M+H",3]
["Multiple",163.07580830000001,163.07537600000001,"C04314","cis-1,2-Dihydronaphthalene-1,2-diol;(1R,2S)-1,2-Dihydronaphthalene-1,2-diol","C10H10O2",162.06809999999999,"M+H",3]
["Multiple",163.07580830000001,163.07537600000001,"C04514","(1S,2S)-1,2-Dihydronaphthalene-1,2-diol;trans-1,2-Dihydronaphthalene-1,2-diol","C10H10O2",162.06809999999999,"M+H",3]
["Multiple",163.07580830000001,163.07537600000001,"C10490","Safrole","C10H10O2",162.06809999999999,"M+H",3]
["Multiple",163.07580830000001,163.07537600000001,"C20269","Eugenol quinone methide","C10H10O2",162.06809999999999,"M+H",3]
["Multiple",163.07580830000001,163.07537600000001,"C12088","4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one","C10H10O2",162.06809999999999,"M+H",3]
["Multiple",163.07580830000001,163.07537600000001,"C10472","Isosafrole","C10H10O2",162.06809999999999,"M+H",3]
["Multiple",163.07580830000001,163.07537600000001,"C15419","trans-2-Phenylcyclopropanecarboxylic acid","C10H10O2",162.06809999999999,"M+H",3]
["Unique",164.93055219999999,164.93001799999999,"C13558","Dibasic sodium phosphate;Disodium phosphate","Na2HPO4",141.9408,"M+Na",3]
["Multiple",167.070877,167.07027600000001,"C01744","Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid","C9H10O3",166.06299999999999,"M+H",3]
["Multiple",167.070877,167.07027600000001,"C01198","3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate","C9H10O3",166.06299999999999,"M+H",3]
["Multiple",167.070877,167.07027600000001,"C02201","Veratraldehyde;Veratric aldehyde;3,4-Dimethoxybenzaldehyde","C9H10O3",166.06299999999999,"M+H",3]
["Multiple",167.070877,167.07027600000001,"C10712","Paeonol","C9H10O3",166.06299999999999,"M+H",3]
["Multiple",167.070877,167.07027600000001,"C03080","4-Hydroxyhydratropate","C9H10O3",166.06299999999999,"M+H",3]
["Multiple",167.070877,167.07027600000001,"C02363","3-Ethoxybenzoate;3-Ethoxybenzoic acid","C9H10O3",166.06299999999999,"M+H",3]
["Multiple",167.070877,167.07027600000001,"C12206","Caffeyl alcohol","C9H10O3",166.06299999999999,"M+H",3]
["Multiple",167.070877,167.07027600000001,"C11380","Apocynin;Acetovanillone","C9H10O3",166.06299999999999,"M+H",3]
["Multiple",167.070877,167.07027600000001,"C05607","Phenyllactate;(R)-Phenyllactate","C9H10O3",166.06299999999999,"M+H",3]
["Multiple",167.070877,167.07027600000001,"C05581","3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin","C9H10O3",166.06299999999999,"M+H",3]
["Multiple",167.070877,167.07027600000001,"C01456","Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid","C9H10O3",166.06299999999999,"M+H",3]
["Multiple",167.070877,167.07027600000001,"C11457","3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate","C9H10O3",166.06299999999999,"M+H",3]
["Unique",167.09012279999999,167.090318,"C03078","4-Guanidinobutanamide","C5H12N4O",144.1011,"M+Na",3]
["Unique",167.9824528,167.98381800000001,"C19324","2-Amino-5-nitrothiazole;Aminonitrothiazole","C3H3N3O2S",144.99459999999999,"M+Na",3]
["Multiple",169.12281290000001,169.122276,"C00848","6-Oxocineole;(1R,4S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-one;2-Oxo-1,8-cineole","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C18019","1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C20323","(+)-6-endo-Hydroxycamphor","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C06069","Iridodial;cis-trans-Iridodial","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C09854","Diosphenol","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C02108","1,2-Campholide","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C08498","Lilac aldehyde","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C09836","Ascaridole","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C09804","cis-trans-Nepetalactol;cis-trans-Iridodial lactol","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C11944","cis-2-Methyl-5-isopropylhexa-2,5-dienoic acid","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C11418","(3S,6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C19731","(3S)-3-Hydroxycyclocitral","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C20221","(6E)-8-Oxolinalool;trans-8-Oxolinalool","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C11943","trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C09786","Iridomyrmecin","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C03448","(+)-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C20322","(+)-6-exo-Hydroxycamphor","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C20223","(6E)-8-Oxogeraniol","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C11937","(1S,4R)-1-Hydroxy-2-oxolimonene;(1S,4R)-1-Hydroxymenth-8-en-2-one","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C11651","8-Epiiridodial","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C09785","(+)-Iridodial","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C11403","(3S,6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C11402","(4R,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C08489","(Z)-3,5-Hexadienyl butyrate","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C11414","(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C19083","(1R,4S)-1-Hydroxy-2-oxolimonene","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C20222","(6E)-8-Hydroxygeranial","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C09842","Chrysanthemic acid","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C08546","Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C16461","Geranic acid;3,7-Dimethylocta-2,6-dienoate;Geranate","C10H16O2",168.11500000000001,"M+H",3]
["Unique",169.97785859999999,169.979276,"C07279","2-Aminoethylarsonate;2-Aminoethylarsonic acid","C2H8AsNO3",168.97200000000001,"M+H",3]
["Unique",170.11810009999999,170.11757600000001,"C17730","Piperidione;3,3-Diethyl-2,4-dioxopiperidine","C9H15NO2",169.1103,"M+H",3]
["Multiple",171.03899509999999,171.03761800000001,"C03124","beta-L-Aspartylhydroxamate","C4H8N2O4",148.04839999999999,"M+Na",3]
["Multiple",171.03899509999999,171.03761800000001,"C03015","O-Carbamoyl-L-serine","C4H8N2O4",148.04839999999999,"M+Na",3]
["Multiple",171.03899509999999,171.03761800000001,"C20631","(2S,3S)-3-Hydroxyasparagine","C4H8N2O4",148.04839999999999,"M+Na",3]
["Multiple",171.1385027,171.13797600000001,"C18202","8-Methyl-6-nonenoic acid","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",171.1385027,171.13797600000001,"C20326","2-exo-Hydroxy-1,8-cineole","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",171.1385027,171.13797600000001,"C03092","6-endo-Hydroxycineole;2-endo-Hydroxy-1,8-cineole","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",171.1385027,171.13797600000001,"C07276","Limonene-1,2-diol;(1S,2S,4R)-Limonene-1,2-diol;(1S,2S,4R)-Menth-8-ene-1,2-diol","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",171.1385027,171.13797600000001,"C09790","(+)-Neomatatabiol","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",171.1385027,171.13797600000001,"C16462","Citronellate;Citronellic acid;3,7-Dimethyl-6-octenoic acid","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",171.1385027,171.13797600000001,"C18027","(4R,7S)-7-Isopropyl-4-methyloxepan-2-one;(4R,7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",171.1385027,171.13797600000001,"C17621","(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",171.1385027,171.13797600000001,"C19082","(1R,2R,4S)-Limonene-1,2-diol;(1R,2R,4S)-Menth-8-ene-1,2-diol","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",171.1385027,171.13797600000001,"C18066","7-Isopropyl-4-methyloxepan-2-one","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",171.1385027,171.13797600000001,"C18020","p-Menth-8-ene-1,2-diol;1-Methyl-4-(1-methylethenyl)-1,2-cyclohexanediol;Menth-8-ene-1,2-diol","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",171.1385027,171.13797600000001,"C04433","(E)-3,7-Dimethylocta-1,6-diene-3,8-diol;(6E)-8-Hydroxylinalool","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",173.06776740000001,173.06851800000001,"C17512","N-Methylanthranilamide;N-Methyl-2-aminobenzamide","C8H10N2O",150.07929999999999,"M+Na",3]
["Multiple",173.06776740000001,173.06851800000001,"C19680","N,N-Dimethyl-4-nitrosoaniline;Accelerine","C8H10N2O",150.07929999999999,"M+Na",3]
["Unique",173.11782550000001,173.117176,"C16322","9-Oxononanoic acid","C9H16O3",172.10990000000001,"M+H",3]
["Multiple",176.99686539999999,176.998076,"C08171","Sodium thiosalicylate;2-Mercapto-benzoic acid, monosodium salt","C7H5O2S. Na",175.99080000000001,"M+H",3]
["Multiple",176.99686539999999,176.998076,"C19399","2,6-Dichloro-para-phenylenediamine;2,6-Dichloro-1,4-benzenediamine","C6H6Cl2N2",175.99080000000001,"M+H",3]
["Multiple",177.0551907,177.054576,"C03081","4-Methylumbelliferone;Hymecromone","C10H8O3",176.04730000000001,"M+H",3]
["Multiple",177.0551907,177.054576,"C01173","1,3,8-Naphthalenertriol;1,3,8-Trihydroxynaphthalene","C10H8O3",176.04730000000001,"M+H",3]
["Multiple",177.0551907,177.054576,"C09268","Herniarin;7-Methoxycoumarin","C10H8O3",176.04730000000001,"M+H",3]
["Multiple",177.0551907,177.056318,"C18980","Dimefox","C4H12FN2OP",154.06710000000001,"M+Na",3]
["Multiple",177.0916837,177.09097600000001,"C06359","Ethyl cinnamate;3-Phenylpropenoic acid ethyl","C11H12O2",176.08369999999999,"M+H",3]
["Multiple",177.0916837,177.09097600000001,"C12299","Cinnamyl acetate;3-Phenyl-2-propenyl acetate","C11H12O2",176.08369999999999,"M+H",3]
["Multiple",177.0916837,177.09097600000001,"C14111","5,6,7,8-Tetrahydro-2-naphthoic acid","C11H12O2",176.08369999999999,"M+H",3]
["Multiple",177.0916837,177.09097600000001,"C14083","cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene","C11H12O2",176.08369999999999,"M+H",3]
["Multiple",177.0916837,177.09097600000001,"C08453","Lachnophyllum ester;2-Decene-4,6-diynoic acid, methyl ester, (E)-","C11H12O2",176.08369999999999,"M+H",3]
["Multiple",177.0916837,177.09097600000001,"C14102","cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene","C11H12O2",176.08369999999999,"M+H",3]
["Multiple",177.0916837,177.09097600000001,"C10389","Prenylbenzoquinone","C11H12O2",176.08369999999999,"M+H",3]
["Unique",178.99125699999999,178.99267599999999,"C20341","Disodium malate;Disodium DL-malate","C4H4O5. 2Na",177.9854,"M+H",3]
["Unique",179.01509129999999,179.01377600000001,"C11582","2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride","C6H7ClN2. HCl",178.00649999999999,"M+H",3]
["Multiple",179.14360249999999,179.14307600000001,"C14465","4-n-Hexylphenol","C12H18O",178.13579999999999,"M+H",3]
["Multiple",179.14360249999999,179.14307600000001,"C07523","Propofol;2,6-Diisopropylphenol","C12H18O",178.13579999999999,"M+H",3]
["Unique",180.99048239999999,180.99061800000001,"C20360","Sodium methallylsulfonate;Sodium methallyl sulfonate","C4H7O3S. Na",158.00139999999999,"M+Na",3]
["Unique",181.12289419999999,181.122276,"C03929","3-tert-Butyl-5-methylcatechol","C11H16O2",180.11500000000001,"M+H",3]
["Multiple",183.07883530000001,183.080476,"C06711","Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol","C13H10O",182.07320000000001,"M+H",3]
["Multiple",183.07883530000001,183.080476,"C16918","Atractylodin","C13H10O",182.07320000000001,"M+H",3]
["Multiple",183.07883530000001,183.080476,"C14460","2-Hydroxyfluorene;Fluoren-2-ol","C13H10O",182.07320000000001,"M+H",3]
["Multiple",183.07883530000001,183.080476,"C01464","Xanthan;Xanthene","C13H10O",182.07320000000001,"M+H",3]
["Multiple",183.07883530000001,183.080476,"C06354","Benzophenone;Diphenyl ketone","C13H10O",182.07320000000001,"M+H",3]
["Multiple",183.07883530000001,183.080476,"C08399","Carlina oxide","C13H10O",182.07320000000001,"M+H",3]
["Multiple",183.07883530000001,183.07807600000001,"C03113","Diisopropyl phosphate","C6H15O4P",182.07079999999999,"M+H",3]
["Multiple",184.09506690000001,184.09677600000001,"C00788","L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-[(1R)-1-Hydroxy-2-(methylamino)ethyl]-1,2-benzenediol","C9H13NO3",183.08949999999999,"M+H",3]
["Multiple",184.09506690000001,184.09677600000001,"C11768","Levonordefrin;alpha-Methylnoradrenaline","C9H13NO3",183.08949999999999,"M+H",3]
["Multiple",184.09506690000001,184.09677600000001,"C17925","Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline","C9H13NO3",183.08949999999999,"M+H",3]
["Multiple",184.09506690000001,184.09677600000001,"C05589","L-Normetanephrine","C9H13NO3",183.08949999999999,"M+H",3]
["Multiple",184.09506690000001,184.09441799999999,"C15025","(S)-Carnitine;D-Carnitine","C7H15NO3",161.1052,"M+Na",3]
["Multiple",184.09506690000001,184.09441799999999,"C00318","L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium hydroxide, inner salt;Levocarnitine;(R)-Carnitine","C7H15NO3",161.1052,"M+Na",3]
["Unique",184.98616730000001,184.984576,"C03232","3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid","C3H5O7P",183.97730000000001,"M+H",3]
["Multiple",185.0239918,185.02431799999999,"C15606","1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one","C6H10O3S",162.0351,"M+Na",3]
["Multiple",185.0239918,185.02431799999999,"C17211","2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid","C6H10O3S",162.0351,"M+Na",3]
["Multiple",185.07921260000001,185.08087599999999,"C11588","cis-3-(Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol;cis-3-(2-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol;3-(cis-5,6-Dihydroxycyclohexa-1,3-dien-1-yl)propanoate","C9H12O4",184.0736,"M+H",3]
["Multiple",185.07921260000001,185.08087599999999,"C05594","3-Methoxy-4-hydroxyphenylethyleneglycol","C9H12O4",184.0736,"M+H",3]
["Multiple",185.07921260000001,185.08087599999999,"C06582","2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate","C9H12O4",184.0736,"M+H",3]
["Multiple",185.07921260000001,185.08087599999999,"C04535","7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate","C9H12O4",184.0736,"M+H",3]
["Multiple",185.07921260000001,185.08087599999999,"C10765","Antiarol;3,4,5-Trimethoxyphenol","C9H12O4",184.0736,"M+H",3]
["Multiple",185.07921260000001,185.08087599999999,"C11456","cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol","C9H12O4",184.0736,"M+H",3]
["Multiple",185.07921260000001,185.078418,"C08234","beta-Cymaropyranose;D-Cymarose;Cymarose;2,6-Dideoxy-3-O-methyl-D-ribo-hexose","C7H14O4",162.08920000000001,"M+Na",3]
["Multiple",185.07921260000001,185.078418,"C08237","Oleandrose;beta-L-Oleandropyranose","C7H14O4",162.08920000000001,"M+Na",3]
["Multiple",185.15420900000001,185.15357599999999,"C13910","Undecylenic acid;Undecenoic acid","C11H20O2",184.1463,"M+H",3]
["Multiple",185.15420900000001,185.15357599999999,"C13823","11-Undecanolactone","C11H20O2",184.1463,"M+H",3]
["Multiple",185.15420900000001,185.15357599999999,"C08571","gamma-Undecalactone;2(3H)-Furanone, 5-heptyldihydro-","C11H20O2",184.1463,"M+H",3]
["Multiple",185.15420900000001,185.15357599999999,"C12295","Citronellyl formate","C11H20O2",184.1463,"M+H",3]
["Multiple",185.15420900000001,185.15357599999999,"C19420","2-Ethylhexyl acrylate","C11H20O2",184.1463,"M+H",3]
["Unique",187.0970715,187.096476,"C14112","cis-2-Carboxycyclohexyl-acetic acid","C9H14O4",186.08920000000001,"M+H",3]
["Multiple",187.13344050000001,187.13287600000001,"C11406","(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate","C10H18O3",186.12559999999999,"M+H",3]
["Multiple",187.13344050000001,187.13287600000001,"C17620","Epomediol;2,6-Dihydroxycineol","C10H18O3",186.12559999999999,"M+H",3]
["Multiple",187.13344050000001,187.13287600000001,"C11417","(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate","C10H18O3",186.12559999999999,"M+H",3]
["Multiple",187.13344050000001,187.13287600000001,"C11404","(3R)-6-Hydroxy-3-isopropenyl-heptanoate","C10H18O3",186.12559999999999,"M+H",3]
["Multiple",187.13344050000001,187.13287600000001,"C13945","2-Oxodecanoic acid;2-Oxodecanoate","C10H18O3",186.12559999999999,"M+H",3]
["Multiple",187.13344050000001,187.13287600000001,"C11420","(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate","C10H18O3",186.12559999999999,"M+H",3]
["Multiple",187.13344050000001,187.13287600000001,"C02217","10-Oxodecanoate","C10H18O3",186.12559999999999,"M+H",3]
["Multiple",187.13344050000001,187.13287600000001,"C20714","3-Oxodecanoate","C10H18O3",186.12559999999999,"M+H",3]
["Unique",190.96753240000001,190.96607599999999,"C06670","2,4-Dichlorobenzoate;2,4-Dichlorobenzoic acid","C7H4Cl2O2",189.9588,"M+H",3]
["Unique",190.99368319999999,190.99511799999999,"C20366","2-Oxo-3-(5-oxofuran-2-ylidene)propanoate","C7H4O5",168.0059,"M+Na",3]
["Multiple",191.00187399999999,191.00087600000001,"C06336","3-Sulfocatechol;2,3-Dihydroxybenzenesulfonate","C6H6O5S",189.99359999999999,"M+H",3]
["Multiple",191.00187399999999,191.00087600000001,"C06674","4-Sulfocatechol","C6H6O5S",189.99359999999999,"M+H",3]
["Multiple",191.10591070000001,191.10667599999999,"C17854","Butylphthalide","C12H14O2",190.0994,"M+H",3]
["Multiple",191.10591070000001,191.10667599999999,"C09017","Precocene I;Precocene 1","C12H14O2",190.0994,"M+H",3]
["Multiple",191.10591070000001,191.10667599999999,"C06360","Propyl cinnamate;3-Phenylpropenoic acid propyl ester","C12H14O2",190.0994,"M+H",3]
["Multiple",191.10591070000001,191.10667599999999,"C12459","3-Dimethylallyl-4-hydroxybenzaldehyde","C12H14O2",190.0994,"M+H",3]
["Multiple",191.10591070000001,191.10667599999999,"C16987","Ligustilide","C12H14O2",190.0994,"M+H",3]
["Multiple",191.10591070000001,191.104218,"C02108","1,2-Campholide","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C00848","6-Oxocineole;(1R,4S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-one;2-Oxo-1,8-cineole","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C09842","Chrysanthemic acid","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C03448","(+)-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C06069","Iridodial;cis-trans-Iridodial","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C09854","Diosphenol","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C09804","cis-trans-Nepetalactol;cis-trans-Iridodial lactol","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C11402","(4R,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C09836","Ascaridole","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C11403","(3S,6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C08489","(Z)-3,5-Hexadienyl butyrate","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C08498","Lilac aldehyde","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C08546","Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C11651","8-Epiiridodial","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C11937","(1S,4R)-1-Hydroxy-2-oxolimonene;(1S,4R)-1-Hydroxymenth-8-en-2-one","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C09785","(+)-Iridodial","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C09786","Iridomyrmecin","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C11944","cis-2-Methyl-5-isopropylhexa-2,5-dienoic acid","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C20323","(+)-6-endo-Hydroxycamphor","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C16461","Geranic acid;3,7-Dimethylocta-2,6-dienoate;Geranate","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C11418","(3S,6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C19731","(3S)-3-Hydroxycyclocitral","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C18019","1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C20221","(6E)-8-Oxolinalool;trans-8-Oxolinalool","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C11414","(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C20322","(+)-6-exo-Hydroxycamphor","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C11943","trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C20222","(6E)-8-Hydroxygeranial","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C19083","(1R,4S)-1-Hydroxy-2-oxolimonene","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C20223","(6E)-8-Oxogeraniol","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",192.13884060000001,192.13827599999999,"C10935","N,N-Diethyl-m-toluamide;Diethyltoluamide;DEET","C12H17NO",191.131,"M+H",3]
["Multiple",192.13884060000001,192.13827599999999,"C10938","N,N-Diethylphenylacetamide;DEPA","C12H17NO",191.131,"M+H",3]
["Multiple",192.13884060000001,192.13827599999999,"C07904","Phendimetrazine","C12H17NO",191.131,"M+H",3]
["Unique",193.00701430000001,193.00591800000001,"C06607","Diethylthiophosphoric acid;DETP","C4H11O3PS",170.01669999999999,"M+Na",3]
["Unique",193.1318488,193.13357600000001,"C07142","Tocainide","C11H16N2O",192.12629999999999,"M+H",3]
["Multiple",193.15932979999999,193.15867600000001,"C14698","4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene","C13H20O",192.1514,"M+H",3]
["Multiple",193.15932979999999,193.15867600000001,"C12287","beta-Ionone;trans-beta-Ionone","C13H20O",192.1514,"M+H",3]
["Multiple",193.15932979999999,193.15867600000001,"C12286","alpha-Ionone","C13H20O",192.1514,"M+H",3]
["Multiple",194.11818450000001,194.11757600000001,"C18418","Isoprocarb","C11H15NO2",193.1103,"M+H",3]
["Multiple",194.11818450000001,194.11757600000001,"C09460","Heliamine","C11H15NO2",193.1103,"M+H",3]
["Multiple",194.11818450000001,194.11757600000001,"C18957","2,3,5-Trimethacarb","C11H15NO2",193.1103,"M+H",3]
["Multiple",194.11818450000001,194.11757600000001,"C09640","(-)-Salsoline","C11H15NO2",193.1103,"M+H",3]
["Multiple",194.11818450000001,194.11757600000001,"C07577","3,4-Methylenedioxymethamphetamine;N-Methyl-3,4-methylenedioxyamphetamine;MDMA","C11H15NO2",193.1103,"M+H",3]
["Multiple",194.11818450000001,194.11757600000001,"C07875","Butamben","C11H15NO2",193.1103,"M+H",3]
["Unique",195.12336010000001,195.12161800000001,"C02131","Acetylagmatine","C7H16N4O",172.13239999999999,"M+Na",3]
["Multiple",195.13864580000001,195.13797600000001,"C16937","Cnidilide","C12H18O2",194.13069999999999,"M+H",3]
["Multiple",195.13864580000001,195.13797600000001,"C17002","Neocnidilide","C12H18O2",194.13069999999999,"M+H",3]
["Multiple",195.13864580000001,195.13797600000001,"C14305","4-Hexyloxyphenol","C12H18O2",194.13069999999999,"M+H",3]
["Unique",195.17500390000001,195.174376,"C03527","Oxidized Latia luciferin","C13H22O",194.1671,"M+H",3]
["Multiple",197.1543044,197.15357599999999,"C11338","Bornyl acetate;(1R,2S,4R)-(+)-Bornyl acetate","C12H20O2",196.1463,"M+H",3]
["Multiple",197.1543044,197.15357599999999,"C08486","Ethyl(E,Z)-decadienoate;(2E,4Z)-2,4-Decadienoic acid, ethyl ester;Ethyl trans-2,cis-4-decadienoate","C12H20O2",196.1463,"M+H",3]
["Multiple",197.1543044,197.15357599999999,"C09837","(1S,2R,4S)-(-)-Bornyl acetate","C12H20O2",196.1463,"M+H",3]
["Multiple",197.1543044,197.15357599999999,"C12300","alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate","C12H20O2",196.1463,"M+H",3]
["Multiple",197.1543044,197.15357599999999,"C09861","Geranyl acetate","C12H20O2",196.1463,"M+H",3]
["Multiple",197.1543044,197.15357599999999,"C09863","Linalyl acetate","C12H20O2",196.1463,"M+H",3]
["Multiple",197.1543044,197.15357599999999,"C12302","gamma-Terpinyl acetate;Cyclohexanol, 1-methyl-4-(1-methylethylidene)-, 1-acetate;p-Menth-4-en-1-yl acetate","C12H20O2",196.1463,"M+H",3]
["Multiple",197.1543044,197.15357599999999,"C12301","beta-Terpinyl acetate;Cyclohexanol, 1-methyl-4-(1-methylethenyl)-, 1-acetate","C12H20O2",196.1463,"M+H",3]
["Multiple",197.1543044,197.15357599999999,"C12306","Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate","C12H20O2",196.1463,"M+H",3]
["Unique",197.99290669999999,197.992818,"C20670","2-Amino-5-chloromuconate 6-semialdehyde","C6H6ClNO3",175.00360000000001,"M+Na",3]
["Unique",199.00086289999999,199.00017600000001,"C04309","Phosphoenol-4-deoxy-3-tetrulosonate","C4H7O7P",197.99289999999999,"M+H",3]
["Multiple",199.16990490000001,199.169276,"C16825","Neomenthyl acetate","C12H22O2",198.16200000000001,"M+H",3]
["Multiple",199.16990490000001,199.169276,"C12298","Citronellyl acetate;3,7-Dimethyl-6-octen-1-yl acetate","C12H22O2",198.16200000000001,"M+H",3]
["Multiple",199.16990490000001,199.169276,"C16947","Decanoyl acetaldehyde","C12H22O2",198.16200000000001,"M+H",3]
["Multiple",199.16990490000001,199.169276,"C09870","(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate","C12H22O2",198.16200000000001,"M+H",3]
["Unique",199.18105320000001,199.180476,"C19109","Cycluron","C11H22N2O",198.17320000000001,"M+H",3]
["Multiple",200.0690798,200.07057599999999,"C19269","5-Nitroacenaphthene","C12H9NO2",199.0633,"M+H",3]
["Multiple",200.0690798,200.07057599999999,"C10697","Isodictamnine","C12H9NO2",199.0633,"M+H",3]
["Multiple",200.0690798,200.07057599999999,"C19473","4-Nitrobiphenyl;4-Nitro-1,1'-biphenyl","C12H9NO2",199.0633,"M+H",3]
["Multiple",200.0690798,200.07057599999999,"C10660","Dictamnine","C12H9NO2",199.0633,"M+H",3]
["Unique",200.8598494,200.859376,"C19496","Pentachloroethane;1,1,1,2,2-Pentachloro-ethane","C2HCl5",199.85210000000001,"M+H",3]
["Unique",200.97300490000001,200.97461799999999,"C20341","Disodium malate;Disodium DL-malate","C4H4O5. 2Na",177.9854,"M+Na",3]
["Unique",200.9964085,200.99571800000001,"C11582","2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride","C6H7ClN2. HCl",178.00649999999999,"M+Na",3]
["Unique",203.1069602,203.10667599999999,"C08992","Tremetone","C13H14O2",202.0994,"M+H",3]
["Multiple",206.06742980000001,206.066776,"C00248","Lipoamide;Thioctic acid amide","C8H15NOS2",205.05950000000001,"M+H",3]
["Multiple",206.06742980000001,206.06881799999999,"C19186","2-Amino-9H-pyrido[2,3-b]indole;2-Amino-alpha-carboline;A-alpha-C","C11H9N3",183.0796,"M+Na",3]
["Unique",209.01365559999999,209.01307600000001,"C19844","(1S,3R)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate","C8H10Cl2O2",208.00579999999999,"M+H",3]
["Unique",209.15426170000001,209.15357599999999,"C14236","4-Heptyloxyphenol;p-n-Heptyloxyphenol","C13H20O2",208.1463,"M+H",3]
["Multiple",210.05077299999999,210.05257599999999,"C17949","N-Acetyldemethylphosphinothricin;N-Adpt","C6H12NO5P",209.0453,"M+H",3]
["Multiple",210.05077299999999,210.05171799999999,"C06559","Deethylatrazine","C6H10ClN5",187.0625,"M+Na",3]
["Multiple",211.13355089999999,211.13287600000001,"C16317","(+)-7-Isojasmonic acid","C12H18O3",210.12559999999999,"M+H",3]
["Multiple",211.13355089999999,211.13287600000001,"C08491","(-)-Jasmonic acid;Jasmonic acid;{(1R,2R)-3-Oxo-2-[(Z)pent-2-enyl]cyclopent-2-enyl}acetic acid;Jasmonate","C12H18O3",210.12559999999999,"M+H",3]
["Unique",213.16047040000001,213.15977599999999,"C16836","1,4'-Bipiperidine-1'-carboxylic acid;[1,4'-Bipiperidine]-1'-carboxylic acid","C11H20N2O2",212.1525,"M+H",3]
["Unique",213.18559060000001,213.184876,"C18206","cis-11-Methyl-2-dodecenoic acid","C13H24O2",212.17760000000001,"M+H",3]
["Unique",214.98549209999999,214.98701800000001,"C03753","2-Chloro-1,4-naphthoquinone","C10H5ClO2",191.99780000000001,"M+Na",3]
["Unique",215.0241714,215.02337600000001,"C19268","Niridazole","C6H6N4O3S",214.01609999999999,"M+H",3]
["Unique",216.92344660000001,216.922076,"C19205","3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone","C5H3Cl3O3",215.91480000000001,"M+H",3]
["Multiple",217.1594312,217.15867600000001,"C16919","Atractylone;Atractylol;Atractyloxide","C15H20O",216.1514,"M+H",3]
["Multiple",217.1594312,217.15867600000001,"C16959","Furanodiene","C15H20O",216.1514,"M+H",3]
["Unique",218.13939500000001,218.138676,"C03017","O-Propanoylcarnitine;O-Propionylcarnitine","C10H19NO4",217.13140000000001,"M+H",3]
["Multiple",221.1180612,221.117176,"C09928","Flossonol","C13H16O3",220.10990000000001,"M+H",3]
["Multiple",221.1180612,221.117176,"C12263","1,2-Dimethoxy-4-[2-(2-propenyloxy)ethenyl]-benzene","C13H16O3",220.10990000000001,"M+H",3]
["Multiple",221.1180612,221.117176,"C09018","Precocene II;Precocene 2","C13H16O3",220.10990000000001,"M+H",3]
["Multiple",221.15425880000001,221.15357599999999,"C09673","Glutinosone","C14H20O2",220.1463,"M+H",3]
["Multiple",221.15425880000001,221.15357599999999,"C09519","Oblongolide","C14H20O2",220.1463,"M+H",3]
["Multiple",221.16312120000001,221.16487599999999,"C07531","Prilocaine","C13H20N2O",220.1576,"M+H",3]
["Multiple",221.16312120000001,221.162418,"C19109","Cycluron","C11H22N2O",198.17320000000001,"M+Na",3]
["Multiple",223.0642722,223.06347600000001,"C17215","3-(3'-Methylthio)propylmalic acid;3-(3'-Methylthio)propylmalate","C8H14O5S",222.05619999999999,"M+H",3]
["Multiple",223.0642722,223.06347600000001,"C17214","2-(3'-Methylthio)propylmalic acid;2-(3'-Methylthio)propylmalate","C8H14O5S",222.05619999999999,"M+H",3]
["Multiple",223.0972391,223.096476,"C14175","Diethyl phthalate;Diethyl 1,2-benzenedicarboxylate","C12H14O4",222.08920000000001,"M+H",3]
["Multiple",223.0972391,223.096476,"C10429","Apiole","C12H14O4",222.08920000000001,"M+H",3]
["Multiple",223.0972391,223.096476,"C19228","Diglycidyl resorcinol ether","C12H14O4",222.08920000000001,"M+H",3]
["Multiple",223.0972391,223.096476,"C10449","Dillapiole;Dillapiol","C12H14O4",222.08920000000001,"M+H",3]
["Multiple",223.0972391,223.096476,"C20225","Coniferyl acetate","C12H14O4",222.08920000000001,"M+H",3]
["Multiple",223.13358030000001,223.13287600000001,"C04223","(+/-)-6-Hydroxy-3-oxo-alpha-ionone","C13H18O3",222.12559999999999,"M+H",3]
["Multiple",223.13358030000001,223.13287600000001,"C02533","Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone","C13H18O3",222.12559999999999,"M+H",3]
["Multiple",223.16993260000001,223.169276,"C16983","Kobusone","C14H22O2",222.16200000000001,"M+H",3]
["Multiple",223.16993260000001,223.169276,"C09715","Rishitin","C14H22O2",222.16200000000001,"M+H",3]
["Multiple",223.16993260000001,223.169276,"C16977","Isokobusone","C14H22O2",222.16200000000001,"M+H",3]
["Multiple",223.170152,223.169276,"C16977","Isokobusone","C14H22O2",222.16200000000001,"M+H",3]
["Multiple",223.170152,223.169276,"C16983","Kobusone","C14H22O2",222.16200000000001,"M+H",3]
["Multiple",223.170152,223.169276,"C09715","Rishitin","C14H22O2",222.16200000000001,"M+H",3]
["Unique",224.0123475,224.01407599999999,"C04327","4-Methyl-5-(2-phosphoethyl)thiazole;4-Methyl-5-(2-phosphono-oxyethyl)thiazole","C6H10NO4PS",223.0068,"M+H",3]
["Unique",224.9982105,224.998076,"C18832","Fenclorim","C10H6Cl2N2",223.99080000000001,"M+H",3]
["Multiple",225.09170760000001,225.09097600000001,"C16208","1-Methoxy-2-hydroxyanthracene","C15H12O2",224.08369999999999,"M+H",3]
["Multiple",225.09170760000001,225.09097600000001,"C14232","4'-Hydroxychalcone","C15H12O2",224.08369999999999,"M+H",3]
["Multiple",225.09170760000001,225.09097600000001,"C00766","Flavanone;2,3-Dihydroflavone","C15H12O2",224.08369999999999,"M+H",3]
["Multiple",225.09170760000001,225.09097600000001,"C02099","(2S)-Flavanone","C15H12O2",224.08369999999999,"M+H",3]
["Multiple",225.09170760000001,225.09097600000001,"C01927","Isoflavanone","C15H12O2",224.08369999999999,"M+H",3]
["Multiple",225.09170760000001,225.09097600000001,"C14231","4-Hydroxychalcone","C15H12O2",224.08369999999999,"M+H",3]
["Multiple",225.09170760000001,225.09097600000001,"C09321","2'-Hydroxychalcone","C15H12O2",224.08369999999999,"M+H",3]
["Multiple",225.1321992,225.13221799999999,"C01404","Arg-OEt","C8H18N4O2",202.143,"M+Na",3]
["Multiple",225.1321992,225.13221799999999,"C03626","NG,NG-Dimethyl-L-arginine;N,N-Dimethylarginine;Nomega,Nomega-Dimethyl-L-arginine;ADMA","C8H18N4O2",202.143,"M+Na",3]
["Multiple",225.14925769999999,225.14847599999999,"C04166","(+/-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol","C13H20O3",224.1412,"M+H",3]
["Multiple",225.14925769999999,225.14847599999999,"C11512","Methyl jasmonate;(-)-Methyl jasmonate","C13H20O3",224.1412,"M+H",3]
["Multiple",225.14925769999999,225.14847599999999,"C16318","(+)-7-Isomethyljasmonate","C13H20O3",224.1412,"M+H",3]
["Multiple",225.14925769999999,225.14847599999999,"C01760","(6S,9R)-Vomifoliol;(6S,9R)-6-Hydroxy-3-oxo-alpha-ionol","C13H20O3",224.1412,"M+H",3]
["Unique",226.9522427,226.95087599999999,"C12835","2,5-Dichloro-4-oxohex-2-enedioate","C6H4Cl2O5",225.9436,"M+H",3]
["Unique",227.20125289999999,227.20057600000001,"C08322","Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid","C14H26O2",226.19329999999999,"M+H",3]
["Unique",228.95646930000001,228.954218,"C11000","Dichloran;Dicloran;2,6-Dichloro-4-nitroaniline;DCNA","C6H4Cl2N2O2",205.965,"M+Na",3]
["Unique",229.1418056,229.14347599999999,"C16308","Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid","C12H20O4",228.1362,"M+H",3]
["Unique",229.21688829999999,229.21617599999999,"C06424","Tetradecanoic acid;Tetradecanoate;Myristic acid","C14H28O2",228.2089,"M+H",3]
["Unique",232.9930726,232.99131800000001,"C18719","Dimethipin;2,3-dihydro-5,6-dimethyl-1,4-dithiine 1,1,4,4-tetraoxide","C6H10O4S2",210.00210000000001,"M+Na",3]
["Unique",234.13332220000001,234.132518,"C19098","Atraton","C9H17N5O",211.14330000000001,"M+Na",3]
["Multiple",235.17004069999999,235.169276,"C17504","Sugeonol","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C09721","Sclerosporin","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C09743","Valerenic acid","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C17491","13-Hydroxygermacrone","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C09399","Drimenin","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C19678","Germacrene A acid;Germacra-1(10),4,11(13)-trien-12-oate","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C16949","Dehydrocurdione","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C20309","Artemisinate;Artemisinic acid","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C20404","1-Deoxypentalenate","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C16942","Curcumenol","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C09739","Tetradymol","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C17090","alpha-Cyperone","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C09350","Bakkenolide A","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C17489","(4S,5S)-(+)-Germacrone 4,5-epoxide","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C17492","Curcumenone","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C09686","Hydroxyisopatchoulenone","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C09409","Eremophilenolide","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C17609","Chrysantherol","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C09376","Confertifolin","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C09677","Helminthosporal","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C09712","Polygodial","C15H22O2",234.16200000000001,"M+H",3]
["Unique",236.93944450000001,236.93927600000001,"C16249","2-Bromomaleylacetate","C6H5BrO5",235.93199999999999,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C17604","Kikkanol B","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C16946","Cyperolone","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C09681","Hernandulcin","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C17493","Curdione","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C09627","Capsidiol","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C09733","Sirenin","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C16502","Farnesoic acid;trans,trans-Farnesoic acid","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C02293","Latia luciferin","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C09678","Helminthosporol","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C09700","Lubimin","C15H24O2",236.17760000000001,"M+H",3]
["Unique",242.9262038,242.927718,"C01874","2-Iodophenol","C6H5IO",219.9385,"M+Na",3]
["Unique",243.03855239999999,243.037676,"C04111","3-(Phosphoacetylamido)-L-alanine","C5H11N2O7P",242.03039999999999,"M+H",3]
["Multiple",248.14842759999999,248.14821800000001,"C18768","Terbumeton","C10H19N5O",225.15899999999999,"M+Na",3]
["Multiple",248.14842759999999,248.14821800000001,"C14186","Prometon;2,4-Bis(isopropylamino)-6-methoxy-1,3,5-triazine","C10H19N5O",225.15899999999999,"M+Na",3]
["Multiple",248.14842759999999,248.14821800000001,"C19106","Secbumeton","C10H19N5O",225.15899999999999,"M+Na",3]
["Multiple",249.14876409999999,249.14847599999999,"C09378","Confertin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09345","Artemorin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C17887","Atractylenolide III","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09687","Illudin M","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09556","Tamaulipin A","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09507","Micheliolide","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C07609","Parthenolide","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09301","Artabsin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C02771","1,2-Dihydrosantonin;1,2-Dihydro-alpha-santonin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C20400","1-Deoxy-11-oxopentalenate","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09488","Ivalin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09537","Quadrone","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09544","Santamarin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09562","Tomentosin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C13455","Abscisic aldehyde","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09660","Dehydrongaione","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09386","Damsin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09626","Canellal;Muzigadial","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09534","Pseudoivalin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09440","Eupatolide","C15H20O3",248.1412,"M+H",3]
["Multiple",251.12869029999999,251.12777600000001,"C14469","Di-n-propylphthalate;Dipropyl phthalate","C14H18O4",250.12049999999999,"M+H",3]
["Multiple",251.12869029999999,251.12777600000001,"C14468","Diisopropyl phthalate","C14H18O4",250.12049999999999,"M+H",3]
["Multiple",251.1650051,251.164176,"C14716","2-Ethylhexyl-4-hydroxybenzoate","C15H22O3",250.15690000000001,"M+H",3]
["Multiple",251.1650051,251.164176,"C07020","Gemfibrozil","C15H22O3",250.15690000000001,"M+H",3]
["Multiple",251.1650051,251.164176,"C13453","Xanthoxin;2-cis,4-trans-Xanthoxin","C15H22O3",250.15690000000001,"M+H",3]
["Multiple",251.1650051,251.164176,"C13456","Abscisic alcohol","C15H22O3",250.15690000000001,"M+H",3]
["Multiple",251.1650051,251.164176,"C09711","Piperdial","C15H22O3",250.15690000000001,"M+H",3]
["Multiple",251.1650051,251.164176,"C09748","Warburganal","C15H22O3",250.15690000000001,"M+H",3]
["Multiple",251.1650051,251.164176,"C20405","Pentalenate","C15H22O3",250.15690000000001,"M+H",3]
["Multiple",251.1650051,251.164176,"C09689","Ipomeamarone;(+)-Ngaione","C15H22O3",250.15690000000001,"M+H",3]
["Multiple",251.1650051,251.164176,"C20403","1-Deoxy-11beta-hydroxypentalenate","C15H22O3",250.15690000000001,"M+H",3]
["Multiple",251.1650051,251.164176,"C09295","Arbusculin A","C15H22O3",250.15690000000001,"M+H",3]
["Multiple",251.1650051,251.166876,"C05318","cis-N-Methyl-(S)-7,8,13,14-tetrahydroprotoberberine","C18H20N",250.15960000000001,"M+H",3]
["Unique",251.20138650000001,251.20057600000001,"C16503","Methyl farnesoate","C16H26O2",250.19329999999999,"M+H",3]
["Unique",253.21703450000001,253.21617599999999,"C16795","Hydnocarpic acid","C16H28O2",252.2089,"M+H",3]
["Unique",255.232629,255.231876,"C08362","(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid","C16H30O2",254.22460000000001,"M+H",3]
["Unique",257.24833419999999,257.24747600000001,"C00249","Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid","C16H32O2",256.24020000000002,"M+H",3]
["Unique",258.81841650000001,258.82037600000001,"C11091","Hexachloro-1,3-butadiene;HCBD;Hexachlorobutadiene","C4Cl6",257.81310000000002,"M+H",3]
["Unique",261.13168860000002,261.13221800000002,"C11079","Pirimicarb","C11H18N4O2",238.143,"M+Na",3]
["Unique",264.85337320000002,264.85427600000003,"C02575","Pentachlorophenol;PCP","C6HCl5O",263.84699999999998,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C11060","(-)-Abscisic acid;(-)-ABA","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C09600","Vulgarin","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C06082","Abscisate;Abscisic acid;(+)-Abscisic acid;ABA","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C09683","Hirsutic acid C","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C09304","Artemisiifolin","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C20402","Neopentalenolactone D","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C09531","Plenolin","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C09453","Florilenalin","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C09530","Pleniradin","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C09506","Michelenolide","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C10766","Ascosalitoxin","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C09540","Ridentin","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C09470","Granilin","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C09542","Salonitenolide","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C09574","Vermeerin","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C09708","Phomenone","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C09456","Geigerin","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C09291","Amaralin","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C09349","Baileyin","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C09381","Coronopilin","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C09355","Chamissonin","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C09481","Hymenolin","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C09498","Ludovicin A","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C09688","Illudin S","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.14439060000001,265.14347600000002,"C20399","Pentalenolactone D","C15H20O4",264.13619999999997,"M+H",3]
["Multiple",265.15552380000003,265.15467599999999,"C10497","Feruloylputrescine;Subaphyllin","C14H20N2O3",264.1474,"M+H",3]
["Multiple",265.15552380000003,265.156318,"C17716","Dehydrofalcarinol","C17H22O",242.1671,"M+Na",3]
["Multiple",265.15552380000003,265.156318,"C08451","Falcarinone;(Z)-1,9-Heptadecadiene-4,6-diyn-3-one","C17H22O",242.1671,"M+Na",3]
["Unique",266.15876589999999,266.15727600000002,"C14526","Esprocarb","C15H23NOS",265.14999999999998,"M+H",3]
["Multiple",269.24831349999999,269.24747600000001,"C12100","omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid","C17H32O2",268.24020000000002,"M+H",3]
["Multiple",269.24831349999999,269.24747600000001,"C16536","9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid","C17H32O2",268.24020000000002,"M+H",3]
["Unique",271.22767800000003,271.22677599999997,"C19614","16-Oxo-palmitate","C16H30O3",270.21949999999998,"M+H",3]
["Unique",271.26397250000002,271.26317599999999,"C16995","Methyl palmitate","C17H34O2",270.2559,"M+H",3]
["Unique",275.1278145,275.12777599999998,"C10256","4,4'-Dihydroxy-3,5-dimethoxydihydrostilbene","C16H18O4",274.12049999999999,"M+H",3]
["Unique",279.09422619999998,279.09511800000001,"C15497","1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide;Reduced nicotinamide riboside","C11H16N2O5",256.10590000000002,"M+Na",3]
["Multiple",279.15990909999999,279.15907600000003,"C03343","2-Ethylhexyl phthalate","C16H22O4",278.15179999999998,"M+H",3]
["Multiple",279.15990909999999,279.15907600000003,"C14214","Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 1,2-benzenedicarboxylate","C16H22O4",278.15179999999998,"M+H",3]
["Multiple",279.15990909999999,279.15907600000003,"C15205","Diisobutyl phthalate;DIBP","C16H22O4",278.15179999999998,"M+H",3]
["Multiple",280.16330679999999,280.16557599999999,"C07341","Oxamniquine","C14H21N3O3",279.1583,"M+H",3]
["Multiple",280.16330679999999,280.16557599999999,"C18433","Karbutilate","C14H21N3O3",279.1583,"M+H",3]
["Unique",280.17307019999998,280.17297600000001,"C18898","Tiocarbazil;Thiocarbazil","C16H25NOS",279.16570000000002,"M+H",3]
["Multiple",281.17147820000002,281.17231800000002,"C14260","Diisobutyl adipate","C14H26O4",258.18310000000002,"M+Na",3]
["Multiple",281.17147820000002,281.17231800000002,"C14253","Dibutyl adipate;Di-n-butyl adipate","C14H26O4",258.18310000000002,"M+Na",3]
["Multiple",281.24832020000002,281.24747600000001,"C08282","Chaulmoogric acid","C18H32O2",280.24020000000002,"M+H",3]
["Multiple",281.24832020000002,281.24747600000001,"C01595","Linoleate;Linoleic acid;(9Z,12Z)-Octadecadienoic acid;9-cis,12-cis-Octadecadienoate;9-cis,12-cis-Octadecadienoic acid","C18H32O2",280.24020000000002,"M+H",3]
["Multiple",281.24832020000002,281.24747600000001,"C08321","Malvalic acid","C18H32O2",280.24020000000002,"M+H",3]
["Multiple",281.24832020000002,281.24747600000001,"C04056","9-cis,11-trans-Octadecadienoate;(9Z,11E)-Octadecadienoic acid","C18H32O2",280.24020000000002,"M+H",3]
["Multiple",281.24832020000002,281.24747600000001,"C08459","Stearolic acid;9-Stearolic acid","C18H32O2",280.24020000000002,"M+H",3]
["Unique",283.2265582,283.22677599999997,"C15465","6-Oxabicyclo[3.1.0]hexane-2-undecanoic acid methyl ester","C17H30O3",282.21949999999998,"M+H",3]
["Unique",284.29569359999999,284.29477600000001,"C13846","Octadecanamide;Stearamide;Stearic acid amide","C18H37NO",283.28750000000002,"M+H",3]
["Multiple",285.27963749999998,285.27877599999999,"C20356","Isooctadecanoic acid;Isostearic acid","C18H36O2",284.2715,"M+H",3]
["Multiple",285.27963749999998,285.27877599999999,"C01530","Octadecanoic acid;Stearate;Stearic acid","C18H36O2",284.2715,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C11782","Dihydromorphine","C17H21NO3",287.15210000000002,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C07239","Ritodrine","C17H21NO3",287.15210000000002,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C06991","Etodolac","C17H21NO3",287.15210000000002,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C08526","Galanthamine;Galantamine","C17H21NO3",287.15210000000002,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C09223","Mesembrenone","C17H21NO3",287.15210000000002,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C12195","Zephyramine","C17H21NO3",287.15210000000002,"M+H",3]
["Unique",292.1640921,292.16557599999999,"C09176","Eseridine","C15H21N3O3",291.1583,"M+H",3]
["Unique",294.03266669999999,294.03331800000001,"C03225","3,5-Dinitro-L-tyrosine","C9H9N3O7",271.04410000000001,"M+Na",3]
["Unique",295.02990160000002,295.02867600000002,"C14237","4-[2,2-Dichloro-1-(4-methoxyphenyl)ethenyl]phenol;Monohydroxymethoxychlor olefin","C15H12Cl2O2",294.02140000000003,"M+H",3]
["Multiple",295.22753469999998,295.22677599999997,"C19827","Colneleate;(8E)-9-[(1E,3Z)-Nona-1,3-dien-1-yloxy]non-8-enoate","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.22753469999998,295.22677599999997,"C16346","17-Hydroxylinolenic acid;(9Z,12Z,15Z)-17-Hydroxyoctadecatri-9,12,15-enoic acid","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.22753469999998,295.22677599999997,"C14766","9-OxoODE;9-KODE;(10E,12Z)-9-Oxooctadeca-10,12-dienoic acid","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.22753469999998,295.22677599999997,"C04780","8-[(1R,2R)-3-Oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate;OPC-8:0","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.22753469999998,295.22677599999997,"C19613","Juvenile hormone I","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.22753469999998,295.22677599999997,"C16316","13(S)-HOT;(9Z,11E,15Z)-(13S)-Hydroxyoctadeca-9,11,15-trienoate;(9Z,11E,15Z)-(13S)-13-Hydroxyoctadeca-9,11,15-trienoic acid;(9Z,11E,13S,15Z)-13-Hydroxyoctadeca-9,11,15-trienoic acid;13(S)-HOTrE","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.22753469999998,295.22677599999997,"C04594","(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acid;(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoate;13(S)-EOD","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.22753469999998,295.22677599999997,"C16326","9(S)-HOT;(9S)-(10E,12Z,15Z)-9-Hydroxyoctadecatri-10,12,15-enoic acid;9(S)-HOTrE","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.22753469999998,295.22677599999997,"C14765","13-OxoODE;13-KODE;(9Z,11E)-13-Oxooctadeca-9,11-dienoic acid","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.22753469999998,295.22677599999997,"C16342","2(R)-HOT;(2R)-(9Z,12Z,15Z)-2-Hydroxyoctadecatri-9,12,15-enoic acid;2(R)-HOTrE","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.22753469999998,295.22677599999997,"C13798","8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",297.14887169999997,297.14847600000002,"C10285","4-Prenylresveratrol","C19H20O3",296.14120000000003,"M+H",3]
["Multiple",297.14887169999997,297.146118,"C09171","Podocarpic acid","C17H22O3",274.15690000000001,"M+Na",3]
["Multiple",297.14887169999997,297.146118,"C14660","Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid","C17H22O3",274.15690000000001,"M+Na",3]
["Multiple",297.14887169999997,297.146118,"C18131","Geranyl-hydroxybenzoate","C17H22O3",274.15690000000001,"M+Na",3]
["Multiple",298.14454860000001,298.143776,"C06172","Neopinone","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C15087","3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C09457","Glaziovine","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C17077","Tuduranine","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C06175","Oripavine","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C06171","Codeinone;(5alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-one","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C09340","(-)-Apoglaziovine","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",299.1108352,299.11257599999999,"C10720","Picein","C14H18O7",298.1053,"M+H",3]
["Multiple",299.1108352,299.11147599999998,"C01961","Thalassemine;L-Thalassemine","C8H19N4O6P",298.10419999999999,"M+H",3]
["Multiple",301.1422705,301.14347600000002,"C14739","alpha,alpha'-Diethyl-3,4,3',4'-stilbenetetraol;3,4,3',4'-Tetrahydroxy-alpha,alpha'-diethylstilbene","C18H20O4",300.13619999999997,"M+H",3]
["Multiple",301.1422705,301.14347600000002,"C20431","(+)-3'-Hydroxylarreatricin","C18H20O4",300.13619999999997,"M+H",3]
["Multiple",301.1422705,301.14347600000002,"C08981","Toxyl angelate","C18H20O4",300.13619999999997,"M+H",3]
["Multiple",301.1422705,301.14101799999997,"C14214","Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 1,2-benzenedicarboxylate","C16H22O4",278.15179999999998,"M+Na",3]
["Multiple",301.1422705,301.14101799999997,"C15205","Diisobutyl phthalate;DIBP","C16H22O4",278.15179999999998,"M+Na",3]
["Multiple",301.1422705,301.14101799999997,"C03343","2-Ethylhexyl phthalate","C16H22O4",278.15179999999998,"M+Na",3]
["Unique",310.1627014,310.16487599999999,"C10304","Fulvine","C16H23NO5",309.1576,"M+H",3]
["Multiple",313.1435505,313.14347600000002,"C09136","Montanin A","C19H20O4",312.13619999999997,"M+H",3]
["Multiple",313.1435505,313.14347600000002,"C10283","4'-Prenyloxyresveratrol","C19H20O4",312.13619999999997,"M+H",3]
["Multiple",313.1435505,313.14347600000002,"C14935","m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid","C19H20O4",312.13619999999997,"M+H",3]
["Multiple",313.1435505,313.14347600000002,"C14211","Butylbenzyl phthalate;Butyl phenylmethyl 1,2-benzenedicarboxylate","C19H20O4",312.13619999999997,"M+H",3]
["Multiple",313.1435505,313.14101799999997,"C17746","1-Dehydro-[6]-gingerdione","C17H22O4",290.15179999999998,"M+Na",3]
["Multiple",313.1435505,313.14101799999997,"C09492","Laurenobiolide","C17H22O4",290.15179999999998,"M+Na",3]
["Multiple",313.1435505,313.14101799999997,"C09564","Tulipinolide","C17H22O4",290.15179999999998,"M+Na",3]
["Multiple",313.1435505,313.14101799999997,"C09566","epi-Tulipinolide","C17H22O4",290.15179999999998,"M+Na",3]
["Multiple",313.1435505,313.14421800000002,"C14410","Phenbenzamine hydrochloride","C17H22N2. HCl",290.15499999999997,"M+Na",3]
["Multiple",313.17895679999998,313.179776,"C20211","Yakuchinone A;Yakuchinone-A","C20H24O3",312.17250000000001,"M+H",3]
["Multiple",313.17895679999998,313.179776,"C09120","Jatrophone","C20H24O3",312.17250000000001,"M+H",3]
["Multiple",313.17895679999998,313.179776,"C10436","Centrolobine","C20H24O3",312.17250000000001,"M+H",3]
["Multiple",313.17895679999998,313.179776,"C09524","Broussonin C","C20H24O3",312.17250000000001,"M+H",3]
["Multiple",313.17895679999998,313.17741799999999,"C14043","ML-236C","C18H26O3",290.18819999999999,"M+Na",3]
["Multiple",317.0488259,317.05111799999997,"C17136","Laurinterol","C15H19BrO",294.06189999999998,"M+Na",3]
["Multiple",317.0488259,317.05111799999997,"C17132","Aplysin","C15H19BrO",294.06189999999998,"M+Na",3]
["Multiple",317.0488259,317.05111799999997,"C17133","Filiformin;(-)-Filiformin","C15H19BrO",294.06189999999998,"M+Na",3]
["Multiple",317.16212539999998,317.164176,"C07141","Timolol","C13H24N4O3S",316.15690000000001,"M+H",3]
["Multiple",317.16212539999998,317.16217599999999,"C10732","O-Methylptelefolonium","C18H22NO4",316.1549,"M+H",3]
["Multiple",317.16212539999998,317.164176,"C18776","Bupirimate","C13H24N4O3S",316.15690000000001,"M+H",3]
["Multiple",317.16212539999998,317.162418,"C06528","Cinchonine;(9S)-Cinchonan-9-ol","C19H22N2O",294.17320000000001,"M+Na",3]
["Multiple",317.16212539999998,317.162418,"C16735","Corynantheal","C19H22N2O",294.17320000000001,"M+Na",3]
["Multiple",317.16212539999998,317.162418,"C09149","Eburnamonine;Vinburnine","C19H22N2O",294.17320000000001,"M+Na",3]
["Multiple",317.16212539999998,317.162418,"C11635","10-Deoxysarpagine;Sarpagan-17-ol","C19H22N2O",294.17320000000001,"M+Na",3]
["Multiple",317.16212539999998,317.162418,"C11379","Cinchonidine;(8alpha,9R)-Cinchonan-9-ol","C19H22N2O",294.17320000000001,"M+Na",3]
["Unique",332.0061829,332.00867599999998,"C10979","Chlozolinate;Dichlozolinate","C13H11Cl2NO5",331.00139999999999,"M+H",3]
["Unique",333.11577030000001,333.11467599999997,"C02087","Tos-Arg-CH2Cl","C13H21ClN4O2S",332.10739999999998,"M+H",3]
["Multiple",335.12600850000001,335.12717600000002,"C08200","Neostigmine methylsulfate","C12H19N2O2. CH3SO4",334.11989999999997,"M+H",3]
["Multiple",335.12600850000001,335.12541800000002,"C10283","4'-Prenyloxyresveratrol","C19H20O4",312.13619999999997,"M+Na",3]
["Multiple",335.12600850000001,335.12541800000002,"C09136","Montanin A","C19H20O4",312.13619999999997,"M+Na",3]
["Multiple",335.12600850000001,335.12541800000002,"C14935","m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid","C19H20O4",312.13619999999997,"M+Na",3]
["Multiple",335.12600850000001,335.12541800000002,"C14211","Butylbenzyl phthalate;Butyl phenylmethyl 1,2-benzenedicarboxylate","C19H20O4",312.13619999999997,"M+Na",3]
["Multiple",336.01114369999999,336.010718,"C17168","Eudistomin H","C15H12BrN3",313.0215,"M+Na",3]
["Multiple",336.01114369999999,336.010718,"C16840","Eudistomin G","C15H12BrN3",313.0215,"M+Na",3]
["Unique",341.30581869999997,341.30497600000001,"C19427","Glycidyl stearate","C21H40O3",340.29770000000002,"M+H",3]
["Unique",346.02578010000002,346.02731799999998,"C14434","EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate","C14H14NO4PS",323.03809999999999,"M+Na",3]
["Multiple",346.1089581,346.10677600000002,"C19064","Nitralin","C13H19N3O6S",345.09949999999998,"M+H",3]
["Multiple",346.1089581,346.10811799999999,"C19210","CI Basic red 9","C19H17N3. HCl",323.1189,"M+Na",3]
["Unique",348.99087530000003,348.98841800000002,"C19077","Fenuron-TCA;Fenuron TCA","C9H13N2O. C2Cl3O2",325.99919999999997,"M+Na",3]
["Unique",351.28359690000002,351.28691800000001,"C02982","L-2-Hydroxyphytanate","C20H40O3",328.29770000000002,"M+Na",3]
["Unique",353.05694540000002,353.06001800000001,"C17405","Penicillin O","C13H18N2O4S2",330.07080000000002,"M+Na",3]
["Multiple",354.89510289999998,354.89157599999999,"C18451","Tetradifon","C12H6Cl4O2S",353.8843,"M+H",3]
["Multiple",354.89510289999998,354.89157599999999,"C07967","Bithionol","C12H6Cl4O2S",353.8843,"M+H",3]
["Multiple",365.13654339999999,365.135918,"C05229","Phaseollidin hydrate","C20H22O5",342.14670000000001,"M+Na",3]
["Multiple",365.13654339999999,365.135918,"C18164","Deoxymiroestrol","C20H22O5",342.14670000000001,"M+Na",3]
["Multiple",379.28318869999998,379.28427599999998,"C13856","2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG","C23H38O4",378.27699999999999,"M+H",3]
["Multiple",379.28318869999998,379.28427599999998,"C13857","1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol","C23H38O4",378.27699999999999,"M+H",3]
["Unique",381.21796810000001,381.22067600000003,"C18416","Carbosulfan","C20H32N2O3S",380.21339999999998,"M+H",3]
["Unique",384.10869289999999,384.107776,"C10602","Lilaline","C20H17NO7",383.10050000000001,"M+H",3]
["Unique",385.03690940000001,385.03821799999997,"C13833","NS 1619","C15H8F6N2O2",362.04899999999998,"M+Na",3]
["Multiple",391.2847271,391.28427599999998,"C03690","Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP","C24H38O4",390.27699999999999,"M+H",3]
["Multiple",391.2847271,391.28427599999998,"C14227","Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 1,2-benzenedicarboxylate","C24H38O4",390.27699999999999,"M+H",3]
["Multiple",391.2847271,391.28427599999998,"C15375","Apocholic acid;3alpha,12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid","C24H38O4",390.27699999999999,"M+H",3]
["Multiple",391.2847271,391.28427599999998,"C11637","3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate","C24H38O4",390.27699999999999,"M+H",3]
["Multiple",391.2847271,391.28427599999998,"C14577","Diisooctyl phthalate","C24H38O4",390.27699999999999,"M+H",3]
["Unique",400.34287890000002,400.34217599999999,"C02990","L-Palmitoylcarnitine","C23H45NO4",399.3349,"M+H",3]
["Unique",407.34717260000002,407.34951799999999,"C17873","2-Hydroxytetracosanoic acid","C24H48O3",384.3603,"M+Na",3]
["Multiple",413.26712859999998,413.26621799999998,"C15375","Apocholic acid;3alpha,12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid","C24H38O4",390.27699999999999,"M+Na",3]
["Multiple",413.26712859999998,413.26621799999998,"C11637","3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate","C24H38O4",390.27699999999999,"M+Na",3]
["Multiple",413.26712859999998,413.26621799999998,"C14227","Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 1,2-benzenedicarboxylate","C24H38O4",390.27699999999999,"M+Na",3]
["Multiple",413.26712859999998,413.26621799999998,"C03690","Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP","C24H38O4",390.27699999999999,"M+Na",3]
["Multiple",413.26712859999998,413.26621799999998,"C14577","Diisooctyl phthalate","C24H38O4",390.27699999999999,"M+Na",3]
["Unique",414.01339300000001,414.01621799999998,"C18344","Adenosine 5'-phosphate disodium","C10H12N5O7P. 2Na",391.02699999999999,"M+Na",3]
["Unique",422.32517469999999,422.324118,"C02990","L-Palmitoylcarnitine","C23H45NO4",399.3349,"M+Na",3]
["Unique",432.29098310000001,432.28731800000003,"C10829","Veratramine","C27H39NO2",409.29809999999998,"M+Na",3]
["Multiple",444.25126169999999,444.25091800000001,"C20535","beta-PC-M6;beta-10-Hydroxy-12-demethyl-11,12-dehydropaspaline","C27H35NO3",421.26170000000002,"M+Na",3]
["Multiple",444.25126169999999,444.25091800000001,"C20528","Terpendole B","C27H35NO3",421.26170000000002,"M+Na",3]
["Multiple",444.25126169999999,444.25091800000001,"C20558","alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-11,12-dehydropaspaline","C27H35NO3",421.26170000000002,"M+Na",3]
["Unique",468.31080270000001,468.31087600000001,"C08007","Buprenorphine","C29H41NO4",467.30360000000002,"M+H",3]
["Multiple",470.315697,470.31127600000002,"C11996","Methymycin","C25H43NO7",469.30399999999997,"M+H",3]
["Multiple",470.315697,470.31127600000002,"C11995","Neomethymycin","C25H43NO7",469.30399999999997,"M+H",3]
["Multiple",479.28572700000001,479.29047600000001,"C07996","Dehydroemetine","C29H38N2O4",478.28320000000002,"M+H",3]
["Multiple",479.28572700000001,479.29047600000001,"C17411","o-Methylpsychotrine;1',2'-Dehydroemetin","C29H38N2O4",478.28320000000002,"M+H",3]
["Unique",484.26052670000001,484.26127600000001,"C00825","Kanamycin B;Bekanamycin;Nebramycin factor 5","C18H37N5O10",483.25400000000002,"M+H",3]
["Unique",490.29266810000001,490.29281800000001,"C08007","Buprenorphine","C29H41NO4",467.30360000000002,"M+Na",3]
["Multiple",495.32936619999998,495.33167600000002,"C16874","Makisterone A","C28H46O7",494.32440000000003,"M+H",3]
["Multiple",495.32936619999998,495.33167600000002,"C08829","Makisterone B","C28H46O7",494.32440000000003,"M+H",3]
["Multiple",497.34593949999999,497.34727600000002,"C11050","25-Hydroxy-24-epi-brassinolide","C28H48O7",496.34,"M+H",3]
["Multiple",497.34593949999999,497.347576,"C04102","1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine","C24H51NO7P",496.34030000000001,"M+H",3]
["Multiple",497.34593949999999,497.34727600000002,"C11051","26-Hydroxy-24-epi-brassinolide","C28H48O7",496.34,"M+H",3]
["Multiple",497.34593949999999,497.34727600000002,"C19874","26-Hydroxybrassinolide","C28H48O7",496.34,"M+H",3]
["Multiple",502.29362190000001,502.29517600000003,"C06999","Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetic acid","C32H39NO4",501.28789999999998,"M+H",3]
["Multiple",502.29362190000001,502.29517600000003,"C20555","Aflatrem","C32H39NO4",501.28789999999998,"M+H",3]
["Multiple",516.30943579999996,516.30847600000004,"C05683","2-Aminoethylphosphocholate","C26H46NO7P",515.30119999999999,"M+H",3]
["Multiple",516.30943579999996,516.31181800000002,"C12065","Tiamulin","C28H47NO4S",493.32260000000002,"M+Na",3]
["Unique",519.2739143,519.27171799999996,"C09286","Absinthin","C30H40O6",496.28250000000003,"M+Na",3]
["Unique",523.3003099,523.30301799999995,"C08807","11-Deoxocucurbitacin I","C30H44O6",500.31380000000001,"M+Na",3]
["Unique",556.12410680000005,556.12731799999995,"C17752","cyclo-Dopa-glucuronylglucoside","C21H27NO15",533.13810000000001,"M+Na",3]
["Unique",560.63787890000003,560.63297599999999,"C18203","2,2',4,4',5-Pentabromodiphenyl ether;PBDE 99;BDE 99","C12H5Br5O",559.62570000000005,"M+H",3]
["Unique",572.37153109999997,572.37347599999998,"C20561","21,22-Diprenylpaxilline","C37H49NO4",571.36620000000005,"M+H",3]
["Unique",590.32281980000005,590.324118,"C20596","Penitrem D","C37H45NO4",567.33489999999995,"M+Na",3]
["Unique",597.26953479999997,597.26701800000001,"C08849","Asclepin","C31H42O10",574.27779999999996,"M+Na",3]
["Unique",664.53092700000002,664.52751799999999,"C13845","1,3-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-1,3-diol","C41H71NO4",641.53830000000005,"M+Na",3]
["Multiple",794.42351759999997,794.42971799999998,"C01687","Tylosin B;Desmycosin","C39H65NO14",771.44050000000004,"M+Na",3]
["Multiple",794.42351759999997,794.42971799999998,"C14058","Leucomycin A5","C39H65NO14",771.44050000000004,"M+Na",3]
["Unique",808.44514179999999,808.44541800000002,"C14056","Leucomycin A1","C40H67NO14",785.45619999999997,"M+Na",3]
["Unique",846.43599800000004,846.43991800000003,"C15732","Chivosazole E","C46H65NO12",823.45069999999998,"M+Na",3]
["Multiple",1014.279451,1014.284476,"C16332","trans-2-Enoyl-OPC6-CoA","C37H58N7O18P3S",1013.2772,"M+H",3]
["Multiple",1014.279451,1014.282018,"C05261","3-Oxotetradecanoyl-CoA","C35H60N7O18P3S",991.29280000000006,"M+Na",3]

{"sheet":"Time course naïve volunteers","index":1,"n_rows":1585,"n_cols":9,"rows_kept":1585,"cut":false,"hidden":false,"merged":[]}
["Supplementary Data 1. Putative annotation of differentially abundant metabolite features along the course of P. vivax infection in naïve volunteers."]
["MatchCategory","mz","theoretical.mz","KEGGID","Name","Formula","MonoisotopicMass","Adduct","Annotation_level"]
["Unique",114.0665599,114.066176,"C00791","Creatinine;1-Methylglycocyamidine","C4H7N3O",113.05889999999999,"M+H",1]
["Unique",118.06548600000001,118.065076,"C00463","Indole;2,3-Benzopyrrole","C8H7N",117.0578,"M+H",1]
["Unique",118.0865908,118.086276,"C16436","Valine","C5H11NO2",117.07899999999999,"M+H",1]
["Unique",130.0503277,130.04987600000001,"C01877","Oxoproline;Oxo-L-proline","C5H7NO3",129.04259999999999,"M+H",1]
["Unique",130.06561210000001,130.065076,"C06413","Quinoline;Benzo[b]pyridine","C9H7N",129.05779999999999,"M+H",1]
["Unique",134.04524140000001,134.04477600000001,"C00049","L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp","C4H7NO4",133.03749999999999,"M+H",1]
["Unique",150.05886709999999,150.05827600000001,"C00073","L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid","C5H11NO2S",149.05099999999999,"M+H",1]
["Unique",153.04121029999999,153.04067599999999,"C00385","Xanthine","C5H4N4O2",152.0334,"M+H",1]
["Unique",160.07572490000001,160.07567599999999,"C00637","Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde","C10H9NO",159.0684,"M+H",1]
["Unique",166.08680269999999,166.086276,"C02057","Phenylalanine;alpha-Amino-beta-phenylpropionic acid","C9H11NO2",165.07900000000001,"M+H",1]
["Unique",170.09292049999999,170.092376,"C01152","N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine","C7H11N3O2",169.08510000000001,"M+H",1]
["Unique",176.06637019999999,176.066576,"C03139","N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid","C5H9N3O4",175.05930000000001,"M+H",1]
["Unique",177.10284820000001,177.10227599999999,"C00780","Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine","C10H12N2O",176.095,"M+H",1]
["Unique",189.1240004,189.12337600000001,"C12989","N2-Acetyl-L-lysine;N(alpha)-Acetyllysine","C8H16N2O3",188.11609999999999,"M+H",1]
["Unique",205.09784200000001,205.09717599999999,"C00806","Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid","C11H12N2O2",204.0899,"M+H",1]
["Unique",209.092747,209.09207599999999,"C01718","Kynurenine;3-Anthraniloylalanine","C10H12N2O3",208.0848,"M+H",1]
["Unique",227.11452270000001,227.113876,"C00386","Carnosine;Nalpha-(beta-alanyl)-L-histidine","C9H14N4O3",226.10659999999999,"M+H",1]
["Unique",241.0318268,241.03107600000001,"C01420","Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid","C6H12N2O4S2",240.02379999999999,"M+H",1]
["Multiple",100.03958059999999,100.039276,"C07273","Succinimide;2,5-Pyrrolidinedione;Butanimide;2,5-Diketopyrrolidine","C4H5NO2",99.031999999999996,"M+H",3]
["Multiple",100.03958059999999,100.039276,"C11103","Hymexazol","C4H5NO2",99.031999999999996,"M+H",3]
["Multiple",100.0759391,100.075676,"C11118","N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone","C5H9NO",99.068399999999997,"M+H",3]
["Multiple",100.0759391,100.075676,"C18796","(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile","C5H9NO",99.068399999999997,"M+H",3]
["Unique",100.112337,100.112076,"C00571","Cyclohexylamine;Cyclohexanamine","C6H13N",99.104799999999997,"M+H",3]
["Multiple",101.0963821,101.096076,"C02373","4-Methylpentanal;Isocaproaldehyde;Isohexanal","C6H12O",100.08880000000001,"M+H",3]
["Multiple",101.0963821,101.096076,"C02893","Unsaturated alcohol","C6H12O",100.08880000000001,"M+H",3]
["Multiple",101.0963821,101.096076,"C08492","3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol","C6H12O",100.08880000000001,"M+H",3]
["Multiple",101.0963821,101.096076,"C00854","Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol","C6H12O",100.08880000000001,"M+H",3]
["Multiple",101.0963821,101.096076,"C19263","Methyl isobutyl ketone","C6H12O",100.08880000000001,"M+H",3]
["Multiple",102.09166089999999,102.091376,"C20312","(Z)-2-Methylbutanal oxime","C5H11NO",101.08410000000001,"M+H",3]
["Multiple",102.09166089999999,102.091376,"C19491","(E)-2-Methylbutanal oxime","C5H11NO",101.08410000000001,"M+H",3]
["Multiple",102.09166089999999,102.091376,"C01842","Pentanamide;Valeramide","C5H11NO",101.08410000000001,"M+H",3]
["Multiple",102.09166089999999,102.091376,"C03982","2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether","C5H11NO",101.08410000000001,"M+H",3]
["Multiple",102.09166089999999,102.091376,"C10974","4-Methylaminobutanal","C5H11NO",101.08410000000001,"M+H",3]
["Multiple",102.09166089999999,102.091376,"C17255","3-Methylbutyraldehyde oxime","C5H11NO",101.08410000000001,"M+H",3]
["Multiple",102.09166089999999,102.091376,"C12455","5-Aminopentanal","C5H11NO",101.08410000000001,"M+H",3]
["Multiple",102.1280367,102.12767599999999,"C14691","Triethylamine;N,N-Diethylethanamine","C6H15N",101.1204,"M+H",3]
["Multiple",102.1280367,102.12767599999999,"C08306","Hexylamine;1-Hexanamine","C6H15N",101.1204,"M+H",3]
["Unique",103.0321584,103.032476,"C14398","Ethylenethiourea;2-Mercaptoimidazoline","C3H6N2S",102.0252,"M+H",3]
["Multiple",103.03930219999999,103.03897600000001,"C00164","Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid","C4H6O3",102.0317,"M+H",3]
["Multiple",103.03930219999999,103.03897600000001,"C06002","(S)-Methylmalonate semialdehyde","C4H6O3",102.0317,"M+H",3]
["Multiple",103.03930219999999,103.03897600000001,"C00109","2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate","C4H6O3",102.0317,"M+H",3]
["Multiple",103.03930219999999,103.03897600000001,"C00349","2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde","C4H6O3",102.0317,"M+H",3]
["Multiple",103.03930219999999,103.03897600000001,"C00232","Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate","C4H6O3",102.0317,"M+H",3]
["Multiple",103.0756748,103.07537600000001,"C08262","3-Methylbutanoic acid;Isovaleric acid;Isovalerate","C5H10O2",102.0681,"M+H",3]
["Multiple",103.0756748,103.07537600000001,"C18319","2-Methylbutyrate;2-Methylbutyric acid","C5H10O2",102.0681,"M+H",3]
["Multiple",103.0756748,103.07537600000001,"C00803","Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid","C5H10O2",102.0681,"M+H",3]
["Unique",105.0701981,105.06987599999999,"C07083","Styrene;Phenylethylene","C8H8",104.0626,"M+H",3]
["Multiple",106.9509219,106.950676,"C18765","Sodium chlorate","O3Cl. Na",105.9434,"M+H",3]
["Multiple",107.0494673,107.049176,"C00261","Benzaldehyde;Benzoic aldehyde","C7H6O",106.0419,"M+H",3]
["Multiple",107.0494673,107.049176,"C00193","Aromatic aldehyde","C7H6O",106.0419,"M+H",3]
["Multiple",107.0705885,107.07027600000001,"C14689","Diethylene glycol;2,2'-Oxydiethanol;1,5-Dihydroxy-3-oxapentane","C4H10O3",106.063,"M+H",3]
["Multiple",108.0811042,108.080776,"C14403","ortho-Toluidine;o-Toluidine;2-Aminotoluene","C7H9N",107.0735,"M+H",3]
["Multiple",108.0811042,108.080776,"C15562","Benzylamine;Benzenemethanamine","C7H9N",107.0735,"M+H",3]
["Multiple",108.0811042,108.080776,"C02299","N-Methylaniline;N-Methylbenzenamine","C7H9N",107.0735,"M+H",3]
["Unique",1086.4172390000001,1086.4147760000001,"C16645","(13Z,16Z)-Docosadi-13,16-enoyl-CoA","C43H74N7O17P3S",1085.4075,"M+H",3]
["Multiple",109.0651589,109.06477599999999,"C01468","4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol","C7H8O",108.0575,"M+H",3]
["Multiple",109.0651589,109.06477599999999,"C01467","3-Cresol;m-Cresol;3-Hydroxytoluene","C7H8O",108.0575,"M+H",3]
["Multiple",109.0651589,109.06477599999999,"C01403","Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether","C7H8O",108.0575,"M+H",3]
["Multiple",109.0651589,109.06477599999999,"C01542","o-Cresol;2-Hydroxytoluene;o-Methylphenol","C7H8O",108.0575,"M+H",3]
["Multiple",109.0651589,109.06477599999999,"C00556","Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene","C7H8O",108.0575,"M+H",3]
["Multiple",109.0651589,109.06477599999999,"C03485","Aromatic primary alcohol;Aromatic alcohol","C7H8O",108.0575,"M+H",3]
["Multiple",111.02052879999999,111.02057600000001,"C18401","Fosetyl","C2H7O3P",110.0133,"M+H",3]
["Multiple",111.02052879999999,111.02057600000001,"C19406","Dimethyl hydrogen phosphite","C2H7O3P",110.0133,"M+H",3]
["Multiple",111.02052879999999,111.020776,"C18676","alpha-Chlorohydrin;3-Monochloro-1,2-propanediol","C3H7ClO2",110.01349999999999,"M+H",3]
["Multiple",111.0444133,111.044076,"C00530","Hydroquinone;p-Benzenediol;1,4-Benzenediol;1,4-Dihydroxybenzene;Benzene-1,4-diol;Quinol;4-Hydroxyphenol","C6H6O2",110.0368,"M+H",3]
["Multiple",111.0444133,111.044076,"C01751","Resorcinol;Resorcin;1,3-Benzenediol;1,3-Dihydroxybenzene;m-Hydroquinone","C6H6O2",110.0368,"M+H",3]
["Multiple",111.0444133,111.044076,"C15571","Catechol","C6H6O2",110.0368,"M+H",3]
["Multiple",111.0444133,111.044076,"C01785","Benzenediol","C6H6O2",110.0368,"M+H",3]
["Multiple",111.0444133,111.044076,"C00090","Catechol;1,2-Benzenediol;o-Benzenediol;1,2-Dihydroxybenzene;Brenzcatechin;Pyrocatechol","C6H6O2",110.0368,"M+H",3]
["Multiple",111.0444133,111.044076,"C11115","5-Methyl-2-furaldehyde;5-Methyl-2-furfural","C6H6O2",110.0368,"M+H",3]
["Multiple",112.956215,112.95557599999999,"C14859","Chloroacetyl chloride","C2H2Cl2O",111.9483,"M+H",3]
["Multiple",112.956215,112.95557599999999,"C14857","1,1-Dichloroethylene epoxide;2,2-Dichlorooxirane","C2H2Cl2O",111.9483,"M+H",3]
["Multiple",112.956215,112.95557599999999,"C14858","2,2-Dichloroacetaldehyde","C2H2Cl2O",111.9483,"M+H",3]
["Unique",113.0236285,113.023276,"C01546","2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid","C5H4O3",112.01600000000001,"M+H",3]
["Multiple",113.0600452,113.059676,"C08502","Parasorbic acid","C6H8O2",112.05240000000001,"M+H",3]
["Multiple",113.0600452,113.059676,"C04091","cis-1,2-Dihydrobenzene-1,2-diol;cis-Benzeneglycol;cis-Cyclohexa-3,5-diene-1,2-diol","C6H8O2",112.05240000000001,"M+H",3]
["Multiple",113.0600452,113.059676,"C08063","1,4-Cyclohexanedione","C6H8O2",112.05240000000001,"M+H",3]
["Multiple",113.0600452,113.059676,"C06105","Cyclohexane-1,2-dione","C6H8O2",112.05240000000001,"M+H",3]
["Multiple",113.0600452,113.059676,"C04221","trans-1,2-Dihydrobenzene-1,2-diol","C6H8O2",112.05240000000001,"M+H",3]
["Multiple",113.0600452,113.059676,"C01066","Cyclohexane-1,3-dione;1,3-Cyclohexanedione;Dihydroresorcinol","C6H8O2",112.05240000000001,"M+H",3]
["Multiple",114.05535930000001,114.054976,"C07275","Glutarimide;Piperidine-2,6-dione;2,6-Diketopiperidine","C5H7NO2",113.04770000000001,"M+H",3]
["Multiple",114.05535930000001,114.054976,"C04322","delta-1-Pyrroline-5-carboxylate;3,4-Dihydro-2H-Pyrrole-2-carboxylate","C5H7NO2",113.04770000000001,"M+H",3]
["Multiple",114.05535930000001,114.054976,"C03564","1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate","C5H7NO2",113.04770000000001,"M+H",3]
["Multiple",114.05535930000001,114.054976,"C03912","(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate","C5H7NO2",113.04770000000001,"M+H",3]
["Unique",114.09167890000001,114.091376,"C06593","epsilon-Caprolactam","C6H11NO",113.08410000000001,"M+H",3]
["Multiple",115.0393016,115.03897600000001,"C00596","2-Hydroxy-2,4-pentadienoate;cis-2-Hydroxypenta-2,4-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-2,4-dienoate","C5H6O3",114.0317,"M+H",3]
["Multiple",115.0393016,115.03897600000001,"C07091","cis-Acetylacrylate","C5H6O3",114.0317,"M+H",3]
["Multiple",115.050613,115.05017599999999,"C08311","Muscimol","C4H6N2O2",114.0429,"M+H",3]
["Multiple",115.050613,115.05017599999999,"C02565","N-Methylhydantoin;N-Methylimidazolidine-2,4-dione","C4H6N2O2",114.0429,"M+H",3]
["Multiple",115.050613,115.05017599999999,"C00429","5,6-Dihydrouracil;Dihydro-2,4(1H,3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;5,6-Dihydro-2,4-dihydroxypyrimidine;Hydrouracil;2,4-Dioxotetrahydropyrimidine","C4H6N2O2",114.0429,"M+H",3]
["Multiple",115.050613,115.05017599999999,"C02512","3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine","C4H6N2O2",114.0429,"M+H",3]
["Multiple",115.050613,115.05017599999999,"C02777","2,5-Dioxopiperazine;Diketopiperazine;2,5-Diazacyclohexane-1,4-dione;2,5-Piperazinedione;Glycine anhydride","C4H6N2O2",114.0429,"M+H",3]
["Multiple",115.0757275,115.07537600000001,"C03228","3-Hydroxycyclohexanone","C6H10O2",114.0681,"M+H",3]
["Multiple",115.0757275,115.07537600000001,"C01880","epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone","C6H10O2",114.0681,"M+H",3]
["Multiple",115.0757275,115.07537600000001,"C01147","2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin","C6H10O2",114.0681,"M+H",3]
["Multiple",117.0550356,117.054576,"C06255","2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid","C5H8O3",116.04730000000001,"M+H",3]
["Multiple",117.0550356,117.054576,"C02233","3-Oxopentanoic acid;3-Oxopentanoate","C5H8O3",116.04730000000001,"M+H",3]
["Multiple",117.0550356,117.054576,"C00141","3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid","C5H8O3",116.04730000000001,"M+H",3]
["Multiple",117.0550356,117.054576,"C03273","5-Oxopentanoate;Glutarate semialdehyde","C5H8O3",116.04730000000001,"M+H",3]
["Multiple",117.0913446,117.090976,"C12304","Butyl acetate;n-Butyl acetate","C6H12O2",116.08369999999999,"M+H",3]
["Multiple",117.0913446,117.090976,"C01585","Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid","C6H12O2",116.08369999999999,"M+H",3]
["Multiple",117.0913446,117.090976,"C12293","Isoamyl formate","C6H12O2",116.08369999999999,"M+H",3]
["Multiple",117.0913446,117.090976,"C02948","4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin","C6H12O2",116.08369999999999,"M+H",3]
["Multiple",117.0913446,117.090976,"C03739","trans-1,2-Cyclohexanediol;trans-Cyclohexane-1,2-diol","C6H12O2",116.08369999999999,"M+H",3]
["Multiple",117.0913446,117.090976,"C12313","cis-1,2-Cyclohexanediol;cis-Cyclohexane-1,2-diol","C6H12O2",116.08369999999999,"M+H",3]
["Unique",117.1026068,117.102276,"C00990","5-Aminopentanamide","C5H12N2O",116.095,"M+H",3]
["Multiple",121.0651688,121.06477599999999,"C06758","p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene","C8H8O",120.0575,"M+H",3]
["Multiple",121.0651688,121.06477599999999,"C07209","3-Methylbenzaldehyde;m-Tolualdehyde","C8H8O",120.0575,"M+H",3]
["Multiple",121.0651688,121.06477599999999,"C07113","Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone","C8H8O",120.0575,"M+H",3]
["Multiple",121.0651688,121.06477599999999,"C20782","(S)-2-Phenyloxirane;(S)-Styrene oxide","C8H8O",120.0575,"M+H",3]
["Multiple",121.0651688,121.06477599999999,"C00601","Phenylacetaldehyde;alpha-Tolualdehyde","C8H8O",120.0575,"M+H",3]
["Multiple",121.0651688,121.06477599999999,"C02083","Styrene oxide;Styrene-7,8-oxide","C8H8O",120.0575,"M+H",3]
["Multiple",121.0651688,121.06477599999999,"C05627","4-Hydroxystyrene;4-Vinylphenol","C8H8O",120.0575,"M+H",3]
["Multiple",121.0651688,121.06477599999999,"C07214","2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde","C8H8O",120.0575,"M+H",3]
["Multiple",121.1014828,121.101176,"C14522","3-Ethyltoluene;1-Methyl-3-ethylbenzene","C9H12",120.0939,"M+H",3]
["Multiple",121.1014828,121.101176,"C14396","Cumene;Isopropylbenzene","C9H12",120.0939,"M+H",3]
["Multiple",121.1014828,121.101176,"C14508","Mesitylene;1,3,5-Trimethylbenzene","C9H12",120.0939,"M+H",3]
["Multiple",121.1014828,121.101176,"C14533","1,2,4-Trimethylbenzene;Pseudocumene","C9H12",120.0939,"M+H",3]
["Multiple",121.1014828,121.101176,"C14572","2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene","C9H12",120.0939,"M+H",3]
["Multiple",121.1014828,121.101176,"C14518","1,2,3-Trimethylbenzene;Hemimellitene","C9H12",120.0939,"M+H",3]
["Unique",122.0603978,122.060076,"C09815","Benzamide","C7H7NO",121.0528,"M+H",3]
["Multiple",123.0444119,123.044076,"C00539","Aromatic acid;Aromatic carboxylic acid","C7H6O2",122.0368,"M+H",3]
["Multiple",123.0444119,123.044076,"C00180","Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid","C7H6O2",122.0368,"M+H",3]
["Multiple",123.0444119,123.044076,"C03067","3-Hydroxybenzaldehyde","C7H6O2",122.0368,"M+H",3]
["Multiple",123.0444119,123.044076,"C06202","Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde","C7H6O2",122.0368,"M+H",3]
["Multiple",123.0444119,123.044076,"C00633","4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde","C7H6O2",122.0368,"M+H",3]
["Multiple",123.0444119,123.044076,"C15474","Tropolone","C7H6O2",122.0368,"M+H",3]
["Multiple",123.08083430000001,123.080476,"C07112","1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol","C8H10O",122.0732,"M+H",3]
["Multiple",123.08083430000001,123.080476,"C11348","(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol","C8H10O",122.0732,"M+H",3]
["Multiple",123.08083430000001,123.080476,"C14386","3-Ethylphenol","C8H10O",122.0732,"M+H",3]
["Multiple",123.08083430000001,123.080476,"C06757","4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol","C8H10O",122.0732,"M+H",3]
["Multiple",123.08083430000001,123.080476,"C07216","3-Methylbenzyl alcohol","C8H10O",122.0732,"M+H",3]
["Multiple",123.08083430000001,123.080476,"C07213","2-Methylbenzyl alcohol","C8H10O",122.0732,"M+H",3]
["Multiple",123.08083430000001,123.080476,"C14582","2,4-Dimethylphenol;1-Hydroxy-2,4-dimethylbenzene","C8H10O",122.0732,"M+H",3]
["Multiple",123.08083430000001,123.080476,"C14385","2-Ethylphenol;o-Ethylphenol","C8H10O",122.0732,"M+H",3]
["Multiple",123.08083430000001,123.08097600000001,"C18585","Chlormequat","C5H13ClN",122.0737,"M+H",3]
["Multiple",123.08083430000001,123.080476,"C13637","4-Ethylphenol;p-Ethylphenol","C8H10O",122.0732,"M+H",3]
["Multiple",123.08083430000001,123.080476,"C05853","Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol","C8H10O",122.0732,"M+H",3]
["Unique",124.956756,124.957876,"C07295","Methanearsonous acid;Methylarsonite","CH5AsO2",123.95059999999999,"M+H",3]
["Unique",125.0346842,125.034576,"C19915","Pyrazinoic acid;2-Pyrazinecarboxylic acid","C5H4N2O2",124.0273,"M+H",3]
["Multiple",125.060142,125.059676,"C00727","Orcinol;5-Methyl-1,3-benzenediol;5-Methylresorcinol;3,5-Toluenediol;3,5-Dihydroxytoluene","C7H8O2",124.05240000000001,"M+H",3]
["Multiple",125.060142,125.059676,"C17467","p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol","C7H8O2",124.05240000000001,"M+H",3]
["Multiple",125.060142,125.059676,"C02923","2,3-Dihydroxytoluene;3-Methylcatechol","C7H8O2",124.05240000000001,"M+H",3]
["Multiple",125.060142,125.059676,"C02323","Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol","C7H8O2",124.05240000000001,"M+H",3]
["Multiple",125.060142,125.059676,"C03351","3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol","C7H8O2",124.05240000000001,"M+H",3]
["Multiple",125.060142,125.059676,"C06730","4-Methylcatechol;3,4-Dihydroxytoluene;1,2-Dihydroxy-4-methylbenzene;4-Methyl-1,2-benzenediol","C7H8O2",124.05240000000001,"M+H",3]
["Multiple",125.060142,125.059676,"C15572","Guaiacol","C7H8O2",124.05240000000001,"M+H",3]
["Multiple",125.060142,125.059676,"C01502","o-Methoxyphenol;Guaiacol;Catechol monomethyl ether","C7H8O2",124.05240000000001,"M+H",3]
["Multiple",127.0393957,127.03897600000001,"C02183","Phloroglucinol;1,3,5-Benzenetriol;1,3,5-Trihydroxybenzene","C6H6O3",126.0317,"M+H",3]
["Multiple",127.0393957,127.03897600000001,"C11918","Maltol","C6H6O3",126.0317,"M+H",3]
["Multiple",127.0393957,127.03897600000001,"C02752","Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone","C6H6O3",126.0317,"M+H",3]
["Multiple",127.0393957,127.03897600000001,"C20718","4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one","C6H6O3",126.0317,"M+H",3]
["Multiple",127.0393957,127.03897600000001,"C01108","1,2,3-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;1,2,3-Benzenetriol","C6H6O3",126.0317,"M+H",3]
["Multiple",127.0393957,127.03897600000001,"C11101","5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural","C6H6O3",126.0317,"M+H",3]
["Multiple",127.0393957,127.03897600000001,"C02814","Benzene-1,2,4-triol;Hydroxyhydroquinone;1,2,4-Benzenetriol;1,2,4-Trihydroxybenzene;Hydroxyquinol","C6H6O3",126.0317,"M+H",3]
["Unique",127.0730755,127.072676,"C08737","Melamine;2,4,6-Triamino-1,3,5-triazine","C3H6N6",126.0654,"M+H",3]
["Multiple",127.07572879999999,127.07537600000001,"C04592","Toluene-cis-dihydrodiol;(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol","C7H10O2",126.0681,"M+H",3]
["Multiple",127.07572879999999,127.07537600000001,"C12101","1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid","C7H10O2",126.0681,"M+H",3]
["Unique",127.11214339999999,127.11177600000001,"C07287","Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one","C8H14O",126.1045,"M+H",3]
["Multiple",128.0710311,128.07057599999999,"C13694","Isoguvacine","C6H9NO2",127.0633,"M+H",3]
["Multiple",128.0710311,128.07057599999999,"C10149","Guvacine","C6H9NO2",127.0633,"M+H",3]
["Multiple",128.0710311,128.07057599999999,"C08268","L-Baikiain;4,5-Dehydropipecolic acid","C6H9NO2",127.0633,"M+H",3]
["Multiple",128.0710311,128.07057599999999,"C08292","alpha-(Methylenecyclopropyl)glycine","C6H9NO2",127.0633,"M+H",3]
["Multiple",128.0710311,128.07057599999999,"C04092","delta1-Piperideine-2-carboxylate;1,2-Didehydropiperidine-2-carboxylate","C6H9NO2",127.0633,"M+H",3]
["Multiple",128.0710311,128.07057599999999,"C00450","(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate","C6H9NO2",127.0633,"M+H",3]
["Unique",128.1073629,128.106976,"C11519","N-Cyclohexylformamide","C7H13NO",127.0997,"M+H",3]
["Unique",128.9511425,128.95047600000001,"C11149","Dichloroacetate","C2H2Cl2O2",127.9432,"M+H",3]
["Multiple",129.0549828,129.054576,"C06719","Dihydrophloroglucinol","C6H8O3",128.04730000000001,"M+H",3]
["Multiple",129.0549828,129.054576,"C20717","4-Hydroxy-2,5-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone","C6H8O3",128.04730000000001,"M+H",3]
["Multiple",129.0549828,129.054576,"C20443","5-Hydroxymethylfurfuryl alcohol;2,5-Bis(hydroxymethyl)furan","C6H8O3",128.04730000000001,"M+H",3]
["Multiple",129.0549828,129.054576,"C11354","2-Hydroxy-cis-hex-2,4-dienoate","C6H8O3",128.04730000000001,"M+H",3]
["Multiple",129.0549828,129.054576,"C06761","(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate","C6H8O3",128.04730000000001,"M+H",3]
["Multiple",129.0549828,129.054576,"C20240","(2Z,4Z)-2-Hydroxyhexa-2,4-dienoate;(2Z,4Z)-2-Hydroxyhexa-2,4-dienoic acid","C6H8O3",128.04730000000001,"M+H",3]
["Multiple",129.0549828,129.054576,"C01125","Dihydro-4,4-dimethyl-2,3-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone","C6H8O3",128.04730000000001,"M+H",3]
["Multiple",129.091397,129.09097600000001,"C10921","Butyl acrylate","C7H12O2",128.08369999999999,"M+H",3]
["Multiple",129.091397,129.09097600000001,"C10976","1-Oxa-2-oxo-3-methylcycloheptane","C7H12O2",128.08369999999999,"M+H",3]
["Multiple",129.091397,129.09097600000001,"C13717","beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone","C7H12O2",128.08369999999999,"M+H",3]
["Multiple",129.091397,129.09097600000001,"C09822","Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid","C7H12O2",128.08369999999999,"M+H",3]
["Multiple",129.091397,129.09097600000001,"C08487","Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester","C7H12O2",128.08369999999999,"M+H",3]
["Multiple",129.091397,129.09097600000001,"C13714","alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone","C7H12O2",128.08369999999999,"M+H",3]
["Multiple",129.091397,129.09097600000001,"C11950","3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid","C7H12O2",128.08369999999999,"M+H",3]
["Multiple",129.0913989,129.09097600000001,"C10976","1-Oxa-2-oxo-3-methylcycloheptane","C7H12O2",128.08369999999999,"M+H",3]
["Multiple",129.0913989,129.09097600000001,"C09822","Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid","C7H12O2",128.08369999999999,"M+H",3]
["Multiple",129.0913989,129.09097600000001,"C13717","beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone","C7H12O2",128.08369999999999,"M+H",3]
["Multiple",129.0913989,129.09097600000001,"C10921","Butyl acrylate","C7H12O2",128.08369999999999,"M+H",3]
["Multiple",129.0913989,129.09097600000001,"C11950","3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid","C7H12O2",128.08369999999999,"M+H",3]
["Multiple",129.0913989,129.09097600000001,"C08487","Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester","C7H12O2",128.08369999999999,"M+H",3]
["Multiple",129.0913989,129.09097600000001,"C13714","alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone","C7H12O2",128.08369999999999,"M+H",3]
["Multiple",129.1278193,129.127376,"C07288","Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol","C8H16O",128.12010000000001,"M+H",3]
["Multiple",129.1278193,129.127376,"C14272","1-Octen-3-ol","C8H16O",128.12010000000001,"M+H",3]
["Multiple",129.1278193,129.127376,"C01545","1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde","C8H16O",128.12010000000001,"M+H",3]
["Multiple",129.1278193,129.127376,"C17145","3-Octanone","C8H16O",128.12010000000001,"M+H",3]
["Unique",130.96685550000001,130.96607599999999,"C14860","2,2-Dichloro-1,1-ethanediol","C2H4Cl2O2",129.9588,"M+H",3]
["Multiple",131.07074470000001,131.07027600000001,"C14530","2-Hydroxyethyl methacrylate;HEMA","C6H10O3",130.06299999999999,"M+H",3]
["Multiple",131.07074470000001,131.07027600000001,"C06102","Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid","C6H10O3",130.06299999999999,"M+H",3]
["Multiple",131.07074470000001,131.07027600000001,"C03500","Ethyl 3-oxobutanoate;Ethyl acetoacetate","C6H10O3",130.06299999999999,"M+H",3]
["Multiple",131.07074470000001,131.07027600000001,"C01012","(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone","C6H10O3",130.06299999999999,"M+H",3]
["Multiple",131.07074470000001,131.07027600000001,"C03241","6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone","C6H10O3",130.06299999999999,"M+H",3]
["Multiple",131.07074470000001,131.07027600000001,"C00233","4-Methyl-2-oxopentanoate;2-Oxoisocaproate","C6H10O3",130.06299999999999,"M+H",3]
["Multiple",131.07074470000001,131.07027600000001,"C02122","3-Oxohexanoic acid;3-Oxohexanoate","C6H10O3",130.06299999999999,"M+H",3]
["Multiple",131.07074470000001,131.07027600000001,"C00671","(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate","C6H10O3",130.06299999999999,"M+H",3]
["Multiple",131.07074470000001,131.07027600000001,"C00902","2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid","C6H10O3",130.06299999999999,"M+H",3]
["Multiple",131.07074470000001,131.07027600000001,"C06008","(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate","C6H10O3",130.06299999999999,"M+H",3]
["Multiple",131.07074470000001,131.07027600000001,"C03467","beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid","C6H10O3",130.06299999999999,"M+H",3]
["Multiple",131.07074470000001,131.07027600000001,"C12314","1-Oxa-2-oxo-3-hydroxycycloheptane","C6H10O3",130.06299999999999,"M+H",3]
["Multiple",131.07074470000001,131.07027600000001,"C03465","3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate","C6H10O3",130.06299999999999,"M+H",3]
["Multiple",131.07074470000001,131.07027600000001,"C02129","5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid","C6H10O3",130.06299999999999,"M+H",3]
["Multiple",131.10710359999999,131.10667599999999,"C17714","Heptanoic acid","C7H14O2",130.0994,"M+H",3]
["Multiple",131.10710359999999,131.10667599999999,"C12296","Isoamyl  acetate","C7H14O2",130.0994,"M+H",3]
["Multiple",131.10710359999999,131.10667599999999,"C12290","Ethyl isovalerate","C7H14O2",130.0994,"M+H",3]
["Multiple",133.1015969,133.10117600000001,"C14114","Tetralin;1,2,3,4-Tetrahydronaphthalene","C10H12",132.09389999999999,"M+H",3]
["Multiple",133.1015969,133.10117600000001,"C14411","Dicyclopentadiene","C10H12",132.09389999999999,"M+H",3]
["Unique",134.0815767,134.081176,"C20313","N-Hydroxy-L-valine","C5H11NO3",133.07390000000001,"M+H",3]
["Unique",135.1019263,135.10157599999999,"C20334","1,2,6-Hexanetriol","C6H14O3",134.0943,"M+H",3]
["Multiple",135.1172407,135.11687599999999,"C18150","n-Butylbenzene","C10H14",134.1096,"M+H",3]
["Multiple",135.1172407,135.11687599999999,"C14142","sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane","C10H14",134.1096,"M+H",3]
["Multiple",135.1172407,135.11687599999999,"C06575","p-Cymene","C10H14",134.1096,"M+H",3]
["Multiple",135.1172407,135.11687599999999,"C14583","1,4-Diethylbenzene;p-Diethylbenzene","C10H14",134.1096,"M+H",3]
["Multiple",135.1172407,135.11687599999999,"C14534","1,2,4,5-Tetramethylbenzene;Durene","C10H14",134.1096,"M+H",3]
["Multiple",136.0761674,136.07567599999999,"C07565","Acetanilide;N-Phenylacetamide;N-Acetylarylamine","C8H9NO",135.0684,"M+H",3]
["Multiple",136.0761674,136.07567599999999,"C16075","(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime","C8H9NO",135.0684,"M+H",3]
["Multiple",136.0761674,136.07567599999999,"C15561","N-Benzylformamide","C8H9NO",135.0684,"M+H",3]
["Multiple",136.0761674,136.07567599999999,"C19714","(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime","C8H9NO",135.0684,"M+H",3]
["Multiple",136.0761674,136.07567599999999,"C02505","2-Phenylacetamide;alpha-Phenylacetamide","C8H9NO",135.0684,"M+H",3]
["Multiple",137.0601647,137.059676,"C07189","2-Hydroxyacetophenone;omega-Hydroxyacetophenone","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C07085","3-Vinylcatechol","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C06224","3,4-Dihydroxystyrene","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C07215","o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C01454","Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C05613","Benzylformate","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C20645","Methyl benzoate","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C07086","Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C10700","4'-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C15583","Phenyl acetate","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C03765","4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C07211","m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C10761","p-Anisaldehyde","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C14087","3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C00548","Phenyl acetate;Acetylphenol;Acetic acid,phenyl ester","C8H8O2",136.05240000000001,"M+H",3]
["Unique",137.09657569999999,137.09607600000001,"C14311","4-Propylphenol","C9H12O",136.08879999999999,"M+H",3]
["Multiple",137.10635540000001,137.10727600000001,"C07430","Phenelzine","C8H12N2",136.1,"M+H",3]
["Multiple",137.10635540000001,137.10727600000001,"C04203","N,N-Dimethyl-1,4-phenylenediamine;N,N-Dimethyl-p-phenylenediamine;p-Amino-N,N-dimethylaniline","C8H12N2",136.1,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C06078","Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C00521","(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C20230","(+)-Sabinene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C06074","Myrcene;beta-Myrcene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C20242","(-)-Sabinene;(1S,5S)-1-Isopropyl-4-methylenebicyclo[3.1.0]hexane","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C06307","(-)-beta-Pinene;(1S,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C09882","beta-Pinene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C06305","(-)-Comphene;(-)-Camphene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C09900","gamma-Terpinene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C16777","Sabinene;Sabinen","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C06075","Terpinolene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C11392","(-)-beta-Phellandrene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C06306","(+)-alpha-Pinene;(1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C11382","(+)-3-Carene;Isodiprene;(+)-Car-3-ene;(1S,6R)-3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C09877","(+)-beta-Phellandrene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C09898","alpha-Terpinene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C09839","Car-3-ene;(-)-3-Carene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C06304","(+)-Comphene;(+)-Camphene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C09873","(E)-beta-Ocimene;beta-Ocimene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C06099","d-Limonene;(+)-Limonene;(+)-(R)-Limonene;(+)-(4R)-Limonene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C20241","Tricyclene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C06308","(-)-alpha-Pinene;(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C20244","(+)-beta-Pinene;(1R,5R)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]hept-2-ene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C11391","(S)-(+)-alpha-Phellandrene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C09875","(R)-(-)-alpha-Phellandrene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C09880","alpha-Pinene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C19818","beta-Phellandrene","C10H16",136.12520000000001,"M+H",3]
["Multiple",137.13292709999999,137.132476,"C06076","Comphene;Camphene","C10H16",136.12520000000001,"M+H",3]
["Unique",139.01594549999999,139.01547600000001,"C06454","Fosfomycin;Phosphonomycin;(1R,2S)-Epoxypropylphosphonate","C3H7O4P",138.00819999999999,"M+H",3]
["Multiple",139.03946590000001,139.03897599999999,"C00156","4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid","C7H6O3",138.0317,"M+H",3]
["Multiple",139.03946590000001,139.03897599999999,"C10832","Sesamol","C7H6O3",138.0317,"M+H",3]
["Multiple",139.03946590000001,139.03897599999999,"C00805","Salicylate;o-Hydroxybenzoic acid;Salicylic acid","C7H6O3",138.0317,"M+H",3]
["Multiple",139.03946590000001,139.03897599999999,"C05585","Gentisate aldehyde;2,5-Dihydroxybenzaldehyde","C7H6O3",138.0317,"M+H",3]
["Multiple",139.03946590000001,139.03897599999999,"C16700","3,4-Dihydroxybenzaldehyde;Protocatechualdehyde","C7H6O3",138.0317,"M+H",3]
["Multiple",139.03946590000001,139.03897599999999,"C18316","2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-1,4-benzoquinone","C7H6O3",138.0317,"M+H",3]
["Multiple",139.03946590000001,139.03897599999999,"C00587","3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid","C7H6O3",138.0317,"M+H",3]
["Multiple",139.0758452,139.07537600000001,"C13638","1-(4'-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol","C8H10O2",138.06809999999999,"M+H",3]
["Multiple",139.0758452,139.07537600000001,"C06044","4-Hydroxyphenylethanol;Tyrosol","C8H10O2",138.06809999999999,"M+H",3]
["Multiple",139.0758452,139.07537600000001,"C06728","3-Ethylcatechol;2,3-Dihydroxyethylbenzene;3-Ethyl-benzene-1,2-diol","C8H10O2",138.06809999999999,"M+H",3]
["Multiple",139.0758452,139.07537600000001,"C07084","Styrene-cis-2,3-dihydrodiol;cis-3-Ethenylcyclohexa-3,5-diene-1,2-diol","C8H10O2",138.06809999999999,"M+H",3]
["Multiple",139.0758452,139.07537600000001,"C20694","(2E,4E,6E)-7-Hydroxy-4-methylhepta-2,4,6-trienal","C8H10O2",138.06809999999999,"M+H",3]
["Multiple",139.0758452,139.07537600000001,"C11480","2-Methyl-6-oxohepta-2,4-dienal","C8H10O2",138.06809999999999,"M+H",3]
["Multiple",139.0758452,139.07537600000001,"C03352","3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol","C8H10O2",138.06809999999999,"M+H",3]
["Multiple",139.11222670000001,139.11177599999999,"C08499","Nona-2,6-dienal;2,6-Nonadienal, (2E,6Z)-","C9H14O",138.1045,"M+H",3]
["Multiple",139.11222670000001,139.11177599999999,"C16323","3,6-Nonadienal","C9H14O",138.1045,"M+H",3]
["Multiple",139.11222670000001,139.11177599999999,"C14743","Isophorone;1,1,3-Trimethyl-3-cyclohexene-5-one","C9H14O",138.1045,"M+H",3]
["Multiple",140.1075171,140.106976,"C10400","Supinidine","C8H13NO",139.09970000000001,"M+H",3]
["Multiple",140.1075171,140.106976,"C00783","Tropinone;3-Tropanone","C8H13NO",139.09970000000001,"M+H",3]
["Multiple",140.1075171,140.106976,"C16697","1-Indolizidinone;1-Ketooctahydroindolizine","C8H13NO",139.09970000000001,"M+H",3]
["Multiple",140.9961289,140.994776,"C00227","Acetyl phosphate","C2H5O5P",139.98750000000001,"M+H",3]
["Multiple",140.9961289,140.994776,"C05682","Phosphonoacetate;Phosphonoacetic acid;Fosfonet","C2H5O5P",139.98750000000001,"M+H",3]
["Multiple",141.05511619999999,141.054576,"C20362","Ethyl maltol","C7H8O3",140.04730000000001,"M+H",3]
["Multiple",141.05511619999999,141.054576,"C14110","4-Hydroxymethylcatechol;3,4-Dihydroxybenzyl alcohol","C7H8O3",140.04730000000001,"M+H",3]
["Multiple",141.05511619999999,141.054576,"C16401","2,4,6-Trihydroxytoluene;2-Methylphloroglucinol","C7H8O3",140.04730000000001,"M+H",3]
["Multiple",141.05511619999999,141.054576,"C18317","2,4,5-Trihydroxytoluene","C7H8O3",140.04730000000001,"M+H",3]
["Multiple",141.05511619999999,141.054576,"C03338","2,3,5-Trihydroxytoluene","C7H8O3",140.04730000000001,"M+H",3]
["Multiple",141.05511619999999,141.054576,"C10792","Gentisyl alcohol;2,5-Dihydroxybenzyl alcohol","C7H8O3",140.04730000000001,"M+H",3]
["Multiple",141.091454,141.09097600000001,"C19311","4-Vinylcyclohexene diepoxide","C8H12O2",140.08369999999999,"M+H",3]
["Multiple",141.091454,141.09097600000001,"C16656","2-Propyl-2,4-pentadienoic acid;2,4-Diene-VPA","C8H12O2",140.08369999999999,"M+H",3]
["Multiple",141.091454,141.09097600000001,"C06727","cis-1,2-Dihydro-3-ethylcatechol;cis-2,3-Dihydroxy-2,3-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-3,5-diene-1,2-diol","C8H12O2",140.08369999999999,"M+H",3]
["Multiple",141.091454,141.09097600000001,"C18011","7-Hydroxy-6-methylhepta-3,5-dienal","C8H12O2",140.08369999999999,"M+H",3]
["Multiple",142.08675149999999,142.086276,"C08287","Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin","C7H11NO2",141.07900000000001,"M+H",3]
["Multiple",142.08675149999999,142.086276,"C16821","Guvacoline","C7H11NO2",141.07900000000001,"M+H",3]
["Multiple",142.08675149999999,142.086276,"C10128","Arecaidine","C7H11NO2",141.07900000000001,"M+H",3]
["Multiple",142.08675149999999,142.086276,"C07505","Ethosuximide","C7H11NO2",141.07900000000001,"M+H",3]
["Multiple",142.12309339999999,142.12267600000001,"C06179","Hygrine;(+)-Hygrine","C8H15NO",141.11539999999999,"M+H",3]
["Multiple",142.12309339999999,142.12267600000001,"C02066","Pseudotropine","C8H15NO",141.11539999999999,"M+H",3]
["Multiple",142.12309339999999,142.12267600000001,"C06182","Pelletierine","C8H15NO",141.11539999999999,"M+H",3]
["Multiple",142.12309339999999,142.12267600000001,"C12440","Trachelanthamidine","C8H15NO",141.11539999999999,"M+H",3]
["Multiple",142.12309339999999,142.12267600000001,"C10864","Physoperuvine","C8H15NO",141.11539999999999,"M+H",3]
["Multiple",142.12309339999999,142.12267600000001,"C11359","(-)-Hygrine","C8H15NO",141.11539999999999,"M+H",3]
["Multiple",142.12309339999999,142.12267600000001,"C00729","Tropine;3alpha-Tropanol","C8H15NO",141.11539999999999,"M+H",3]
["Unique",142.94931399999999,142.94807599999999,"C13558","Dibasic sodium phosphate;Disodium phosphate","Na2HPO4",141.9408,"M+H",3]
["Unique",142.96737529999999,142.96607599999999,"C18600","Dalapon;2,2-DPA;2,2-Dichloropropanoic acid","C3H4Cl2O2",141.9588,"M+H",3]
["Unique",142.9841869,142.98307600000001,"C03576","2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM","C2H6O3S2",141.97579999999999,"M+H",3]
["Unique",143.070785,143.07027600000001,"C03767","4-Oxocyclohexanecarboxylate","C7H10O3",142.06299999999999,"M+H",3]
["Multiple",143.1071432,143.10667599999999,"C16648","2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA","C8H14O2",142.0994,"M+H",3]
["Multiple",143.1071432,143.10667599999999,"C19757","(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate","C8H14O2",142.0994,"M+H",3]
["Multiple",143.1071432,143.10667599999999,"C16654","2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA","C8H14O2",142.0994,"M+H",3]
["Multiple",143.1071432,143.10667599999999,"C12297","Cyclohexyl acetate","C8H14O2",142.0994,"M+H",3]
["Multiple",143.1071432,143.10667599999999,"C12104","Cycloheptanecarboxylic acid;Cycloheptanoic acid","C8H14O2",142.0994,"M+H",3]
["Multiple",143.1071432,143.10667599999999,"C16653","2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA","C8H14O2",142.0994,"M+H",3]
["Multiple",143.1071432,143.10667599999999,"C19318","Allyl isovalerate","C8H14O2",142.0994,"M+H",3]
["Multiple",144.10233959999999,144.101876,"C04114","(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine","C7H13NO2",143.09460000000001,"M+H",3]
["Multiple",144.10233959999999,144.101876,"C10172","Stachydrine;Proline betaine","C7H13NO2",143.09460000000001,"M+H",3]
["Multiple",144.1024061,144.101876,"C04114","(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine","C7H13NO2",143.09460000000001,"M+H",3]
["Multiple",144.1024061,144.101876,"C10172","Stachydrine;Proline betaine","C7H13NO2",143.09460000000001,"M+H",3]
["Unique",144.9826683,144.98157599999999,"C18399","Ethephon","C2H6ClO3P",143.9743,"M+H",3]
["Multiple",146.0605711,146.06007600000001,"C06324","Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one","C9H7NO",145.05279999999999,"M+H",3]
["Multiple",146.0605711,146.06007600000001,"C08493","Indole-3-carboxaldehyde;Indole-3-carbaldehyde","C9H7NO",145.05279999999999,"M+H",3]
["Multiple",146.0605711,146.06007600000001,"C19434","8-Hydroxyquinoline;Oxyquinoline","C9H7NO",145.05279999999999,"M+H",3]
["Multiple",146.0605711,146.06007600000001,"C06338","Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol","C9H7NO",145.05279999999999,"M+H",3]
["Multiple",146.0605711,146.06007600000001,"C02796","3-Methyleneoxindole","C9H7NO",145.05279999999999,"M+H",3]
["Multiple",146.0605711,146.06007600000001,"C06343","4-Hydroxyquinoline;Quinolin-4-ol","C9H7NO",145.05279999999999,"M+H",3]
["Multiple",146.0605711,146.06007600000001,"C06415","2(1H)-Quinolinone;Quinolin-2(1H)-one","C9H7NO",145.05279999999999,"M+H",3]
["Unique",148.08002759999999,148.07907599999999,"C17245","5-Methylthiopentanaldoxime","C6H13NOS",147.0718,"M+H",3]
["Multiple",149.05455509999999,149.05567600000001,"C20631","(2S,3S)-3-Hydroxyasparagine","C4H8N2O4",148.04839999999999,"M+H",3]
["Multiple",149.05455509999999,149.05567600000001,"C03124","beta-L-Aspartylhydroxamate","C4H8N2O4",148.04839999999999,"M+H",3]
["Multiple",149.05455509999999,149.05567600000001,"C03015","O-Carbamoyl-L-serine","C4H8N2O4",148.04839999999999,"M+H",3]
["Multiple",149.0602342,149.059676,"C17268","Pyruvophenone;1-Phenyl-1,2-propanedione","C9H8O2",148.05240000000001,"M+H",3]
["Multiple",149.0602342,149.059676,"C05608","4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde","C9H8O2",148.05240000000001,"M+H",3]
["Multiple",149.0602342,149.059676,"C07720","3-Hydroxy-1-indanone","C9H8O2",148.05240000000001,"M+H",3]
["Multiple",149.0602342,149.059676,"C10438","Cinnamic acid;Benzeneacrylic acid","C9H8O2",148.05240000000001,"M+H",3]
["Multiple",149.0602342,149.059676,"C00423","trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate","C9H8O2",148.05240000000001,"M+H",3]
["Multiple",149.0602342,149.059676,"C02274","Dihydrocoumarin;3,4-Dihydrocoumarin","C9H8O2",148.05240000000001,"M+H",3]
["Multiple",149.0602342,149.059676,"C07728","3-Isochromanone;1,4-Dihydro-3H-2-benzopyran-3-one","C9H8O2",148.05240000000001,"M+H",3]
["Multiple",149.08120160000001,149.08087599999999,"C03348","3,6-Dideoxy-L-galactose;Colitose;3,6-Dideoxy-L-xylo-hexose","C6H12O4",148.0736,"M+H",3]
["Multiple",149.08120160000001,149.08087599999999,"C06471","Abequose;3,6-Deoxy-D-galactose;3,6-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose","C6H12O4",148.0736,"M+H",3]
["Multiple",149.08120160000001,149.08087599999999,"C00418","(R)-Mevalonate;Mevalonic acid;3,5-Dihydroxy-3-methylvaleric acid","C6H12O4",148.0736,"M+H",3]
["Multiple",149.08120160000001,149.08087599999999,"C04104","2,3-Dihydroxy-3-methylpentanoate;2,3-Dihydroxy-3-methylvalerate","C6H12O4",148.0736,"M+H",3]
["Multiple",149.08120160000001,149.08087599999999,"C02104","(S)-Mevalonate;(S)-Mevalonic acid;(S)-3,5-Dihydroxy-3-methylvaleric acid","C6H12O4",148.0736,"M+H",3]
["Multiple",149.08120160000001,149.08087599999999,"C00522","(R)-Pantoate;Pantoate;Pantoic acid","C6H12O4",148.0736,"M+H",3]
["Multiple",149.08120160000001,149.08087599999999,"C06007","(R)-2,3-Dihydroxy-3-methylpentanoate;(R)-2,3-Dihydroxy-3-methylvalerate;(2R,3R)-2,3-Dihydroxy-3-methylpentanoate","C6H12O4",148.0736,"M+H",3]
["Multiple",149.09661589999999,149.09607600000001,"C06577","4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde","C10H12O",148.08879999999999,"M+H",3]
["Multiple",149.09661589999999,149.09607600000001,"C10428","Anethole;t-Anethole;trans-Anethole","C10H12O",148.08879999999999,"M+H",3]
["Multiple",149.09661589999999,149.09607600000001,"C10452","Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol","C10H12O",148.08879999999999,"M+H",3]
["Multiple",149.09661589999999,149.09607600000001,"C17965","trans-Lachnophyllol","C10H12O",148.08879999999999,"M+H",3]
["Multiple",149.09661589999999,149.09607600000001,"C14309","5,6,7,8-Tetrahydro-2-naphthol","C10H12O",148.08879999999999,"M+H",3]
["Unique",149.13301060000001,149.132476,"C16993","Ectocarpen","C11H16",148.12520000000001,"M+H",3]
["Multiple",150.0918791,150.091376,"C17236","3-Phenylpropionaldoxim","C9H11NO",149.08410000000001,"M+H",3]
["Multiple",150.0918791,150.091376,"C08301","D-Cathinone;Cathinone","C9H11NO",149.08410000000001,"M+H",3]
["Unique",151.06213070000001,151.06097600000001,"C08373","Dipropyl disulfide;n-Propyl disulfide","C6H14S2",150.05369999999999,"M+H",3]
["Multiple",151.07586259999999,151.07537600000001,"C19291","Phenyl glycidyl ether","C9H10O2",150.06809999999999,"M+H",3]
["Multiple",151.07586259999999,151.07537600000001,"C16706","4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal","C9H10O2",150.06809999999999,"M+H",3]
["Multiple",151.07586259999999,151.07537600000001,"C15513","Benzyl acetate","C9H10O2",150.06809999999999,"M+H",3]
["Multiple",151.07586259999999,151.07537600000001,"C05629","Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid","C9H10O2",150.06809999999999,"M+H",3]
["Multiple",151.07586259999999,151.07537600000001,"C17883","4-Vinylguaiacol","C9H10O2",150.06809999999999,"M+H",3]
["Multiple",151.07586259999999,151.07537600000001,"C02646","4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol","C9H10O2",150.06809999999999,"M+H",3]
["Multiple",151.07586259999999,151.07537600000001,"C20697","(2E,4E,6E)-4-Methylocta-2,4,6-trienedial","C9H10O2",150.06809999999999,"M+H",3]
["Multiple",151.07586259999999,151.07537600000001,"C01963","Tolylacetate;p-Cresyl acetate;p-Tolyacetate","C9H10O2",150.06809999999999,"M+H",3]
["Multiple",151.07586259999999,151.07537600000001,"C13342","p-Hydroxypropiophenone;Paroxypropione","C9H10O2",150.06809999999999,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C09843","Chrysanthenone;(-)-Chrysanthenone","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C06576","p-Cumic alcohol","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C02576","Perillyl aldehyde;Perillaldehyde","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C09868","Menthofuran","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C02289","Isopiperitenone","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C11394","(+)-Chrysanthenone","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C14138","2-sec-Butylphenol;2-(1-Methylpropyl)phenol","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C09840","Carvacrol","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C14464","4-n-Butylphenol;p-Hydroxybutylbenzene","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C11939","Myrtenal","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C14200","4-tert-Butylphenol;Butylphen","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C11383","(+)-(S)-Carvone;Carvol;(+)-Carvone;Carvone","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C01767","(-)-Carvone;(4R)-Carvone","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C01951","Piperitenone","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C14188","3-tert-Butylphenol","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C09911","Umbellulone;(-)-Umbellulone","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C18025","(+)-Menthofuran;(R)-Menthofuran","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C01868","(+)-Sabinone","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C09908","Thymol","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C14130","2-tert-Butylphenol","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C16955","Eucarvone","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C09913","Verbenone","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C09884","Pinocarvone","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C14741","4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C14139","4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C17062","Safranal","C10H14O",150.1045,"M+H",3]
["Multiple",151.11225809999999,151.11177599999999,"C02485","(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone","C10H14O",150.1045,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C18623","L-Phenylglycine;Phenylglycine","C8H9NO2",151.0633,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C17756","2-Descarboxy-cyclo-dopa;Indoline-5,6-diol;5,6-Indolinediol","C8H9NO2",151.0633,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C03522","N-Methyl-4-aminobenzoate","C8H9NO2",151.0633,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C04350","(E)-4-Hydroxyphenylacetaldehyde-oxime","C8H9NO2",151.0633,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C02709","N-(Acetyloxy)benzenamine","C8H9NO2",151.0633,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C07301","(R)-Mandelamide","C8H9NO2",151.0633,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C16571","2-Amino-3-methylbenzoate","C8H9NO2",151.0633,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C06804","Acetaminophen;Paracetamol","C8H9NO2",151.0633,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C03005","N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid","C8H9NO2",151.0633,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C17755","Dopamine quinone","C8H9NO2",151.0633,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C04353","(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-[4-Hydroxyphenylacetaldehyde oxime]","C8H9NO2",151.0633,"M+H",3]
["Multiple",152.07114799999999,152.07057599999999,"C20634","O-Methyl anthranilate","C8H9NO2",151.0633,"M+H",3]
["Unique",152.9954548,152.994776,"C06368","3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate","C3H5O5P",151.98750000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C00755","4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C12064","Resorcinol monoacetate","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C10675","3',4'-Dihydroxyacetophenone","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C00642","4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C02519","4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C02181","Phenoxyacetate;Phenoxyacetic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C05593","3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C17900","Menisdaurilide","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C03663","2',4'-Dihydroxyacetophenone;2,4-Dihydroxyacetophenone;Resacetophenone","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C14108","4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C02657","6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C12305","Methyl salicylate;Methyl 2-hydroxybenzoate","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C02639","3-Methoxytropolone","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C04043","3,4-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C01984","(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C05852","2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C14088","3-Methylsalicylate","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C13636","4-Hydroxyphenyl acetate","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C13635","4-Hydroxyphenacyl alcohol;2,4'-Dihydroxyacetophenone","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C01983","(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C14103","4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C10804","2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.06635850000001,153.065876,"C05843","N1-Methyl-4-pyridone-5-carboxamide;N'-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide","C7H8N2O2",152.05860000000001,"M+H",3]
["Multiple",153.06635850000001,153.065876,"C16398","2-Amino-4-nitrotoluene;5-Nitro-o-toluidine","C7H8N2O2",152.05860000000001,"M+H",3]
["Multiple",153.06635850000001,153.065876,"C05842","N1-Methyl-2-pyridone-5-carboxamide;N'-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone","C7H8N2O2",152.05860000000001,"M+H",3]
["Multiple",153.06635850000001,153.065876,"C18320","4-Amino-2-nitrotoluene","C7H8N2O2",152.05860000000001,"M+H",3]
["Unique",153.09149339999999,153.09097600000001,"C01014","3-Isopropylcatechol","C9H12O2",152.08369999999999,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C11398","(1R,4R)-Dihydrocarvone","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C19081","(4S)-Limonene-1,2-epoxide","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C11387","(1S,4R)-(+)-Fenchone;(+)-Fenchone","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C07271","Limonene-1,2-epoxide;Limonene oxide;(4R)-Limonene-1,2-epoxide","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C00808","(+)-Camphor;d-Camphor","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C01499","Geranial;trans-Citral","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C11938","Myrtenol;2-Pinen-10-ol","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C18018","p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C18369","dl-Camphor;Camphor","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C04435","(Z)-2-Methyl-5-isopropylhexa-2,5-dienal;cis-2-Methyl-5-isopropylhexa-2,5-dienal","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C00964","(-)-trans-Carveol","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C17623","(-)-Pulegone","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C09859","Fenchone;(1R,4S)-(-)-Fenchone","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C11412","(1R,4S)-Iso-dihydrocarvone","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C11951","(+)-cis-Isopulegone","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C02759","alpha-Pinene-oxide","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C09885","(+)-Piperitone;d-Piperitone","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C00809","(-)-Camphor","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C02452","Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-1,8-dien-7-ol;(-)-Perillylalcohol","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C11401","(1S,4R)-Iso-dihydrocarvone","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C11415","(1S,4S)-Dihydrocarvone","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C09893","Pulegone;(+)-Pulegone","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C09847","cis-Citral;Neral","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C20425","beta-Cyclocitral;2,6,6-Trimethyl-1-cyclohexene-1-carbaldehyde","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C02213","(+)-cis-Sabinol;Sabinol","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C11408","(4S,6S)-cis-Carveol","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C11395","(4R,6R)-cis-Carveol","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C11941","Pinocarveol","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C11942","trans-2-Methyl-5-isopropylhexa-2,5-dienal","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C01123","(-)-trans-Isopiperitenol","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C09906","Thujone;(-)-3-Isothujone;(-)-3-Thujanone","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C20260","(+)-Thujan-3-one;(+)-Isothujone","C10H16O",152.12010000000001,"M+H",3]
["Multiple",153.12786550000001,153.127376,"C11409","(+)-trans-Carveol;(4S,6R)-trans-Carveol","C10H16O",152.12010000000001,"M+H",3]
["Unique",153.99876190000001,153.999076,"C01962","Thiocysteine;S-Mercapto-L-cysteine","C3H7NO2S2",152.99180000000001,"M+H",3]
["Multiple",155.0708468,155.07027600000001,"C06317","Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol","C8H10O3",154.06299999999999,"M+H",3]
["Multiple",155.0708468,155.07027600000001,"C10787","2,6-Dimethoxyphenol;Pyrogallol 1,3-dimethyl ether","C8H10O3",154.06299999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C03039","(+)-trans-Piperitenol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C17611","Chrysanthemol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C17125","(-)-Isomenthone;l-Isomenthone","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C02484","(+)-trans-Pulegol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C11388","(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C02344","(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C01765","(+)-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R,2S,4R)-(+)-Borneol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C11413","(1S,2S,4S)-Dihydrocarveol;(+)-Dihydrocarveol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C09902","(R)-(+)-alpha-Terpineol;(+)-alpha-Terpineol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C01500","Geraniol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C11411","(1R,2R,4S)-Iso-dihydrocarveol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C11952","(+)-Isomenthone","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C11399","(1S,2S,4R)-Iso-dihydrocarveol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C11397","(1R,2S,4R)-Neo-dihydrocarveol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C09848","(R)-(+)-Citronellal","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C01411","Borneol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C09871","Nerol;(Z)-3,7-Dimethylocta-2,6-dien-1-ol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C11393","(-)-alpha-Terpineol;(L)-alpha-Terpineol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C03985","3,7-Dimethylocta-1,6-dien-3-ol;Linalool","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C16772","alpha-Terpineol;dl-alpha-Terpineol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C11416","(1S,2R,4S)-Neo-dihydrocarveol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C11384","(S)-(-)-Citronellal;(S)-3,7-Dimethyloct-6-enal","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C09844","1,8-Cineole;1,8-Cineol;Eucalyptol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C01766","(-)-Borneol;l-Borneol;(1S,2R,4S)-(-)-Borneol;Linderol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C20261","(+)-Thujan-3-ol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C16909","1,4-Cineole;1,4-Epoxy-p-menthane","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C11389","(+)-Linalool;(S)-(+)-Linalool;(3S)-Linalool","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C11410","(1R,2S,4S)- Neoiso-dihydrocarveol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C02462","Sabinene hydrate","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C17517","beta-Terpineol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C11396","(1R,2R,4R)-Dihydrocarveol;(-)-Dihydrocarveol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C00843","(-)-Menthone;l-Menthone;p-Menthan-3-one","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C11390","(+)-Menthone","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C11400","(1S,2R,4R)-Neoiso-dihydrocarveol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C17518","gamma-Terpineol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C18017","8-p-Menthen-2-ol;1,6-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C17073","Terpineol-4;Terpinen-4-ol","C10H18O",154.13579999999999,"M+H",3]
["Multiple",155.14354309999999,155.14307600000001,"C17384","Citronellal","C10H18O",154.13579999999999,"M+H",3]
["Unique",156.99117089999999,156.989676,"C00988","2-Phosphoglycolate;Phosphoglycolic acid","C2H5O6P",155.98240000000001,"M+H",3]
["Multiple",158.11807540000001,158.11757600000001,"C08283","Homostachydrine","C8H15NO2",157.1103,"M+H",3]
["Multiple",158.11807540000001,158.11757600000001,"C12535","Tranexamic acid","C8H15NO2",157.1103,"M+H",3]
["Multiple",158.11807540000001,158.11757600000001,"C10155","Lentiginosine","C8H15NO2",157.1103,"M+H",3]
["Multiple",159.0656516,159.06517600000001,"C04670","(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate","C7H10O4",158.05789999999999,"M+H",3]
["Multiple",159.0656516,159.06517600000001,"C05126","Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid, 2-methyl-, dimethyl ester, (Z)-;Citraconate de dimethyle;Citraconic acid, dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid, dimethyl ester","C7H10O4",158.05789999999999,"M+H",3]
["Multiple",159.0656516,159.06517600000001,"C04815","5-D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-one;5D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxy-2-cyclohexen-1-one","C7H10O4",158.05789999999999,"M+H",3]
["Multiple",159.0656516,159.06517600000001,"C02631","2-Isopropylmaleate;beta-Isopropylmaleate","C7H10O4",158.05789999999999,"M+H",3]
["Multiple",163.07580830000001,163.07537600000001,"C04314","cis-1,2-Dihydronaphthalene-1,2-diol;(1R,2S)-1,2-Dihydronaphthalene-1,2-diol","C10H10O2",162.06809999999999,"M+H",3]
["Multiple",163.07580830000001,163.07537600000001,"C06358","Methyl cinnamate;3-Phenyl-2-propenoic acid methyl","C10H10O2",162.06809999999999,"M+H",3]
["Multiple",163.07580830000001,163.07537600000001,"C20269","Eugenol quinone methide","C10H10O2",162.06809999999999,"M+H",3]
["Multiple",163.07580830000001,163.07537600000001,"C10472","Isosafrole","C10H10O2",162.06809999999999,"M+H",3]
["Multiple",163.07580830000001,163.07537600000001,"C10490","Safrole","C10H10O2",162.06809999999999,"M+H",3]
["Multiple",163.07580830000001,163.07537600000001,"C06205","1,2-Dihydronaphthalene-1,2-diol","C10H10O2",162.06809999999999,"M+H",3]
["Multiple",163.07580830000001,163.07537600000001,"C10475","p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde","C10H10O2",162.06809999999999,"M+H",3]
["Multiple",163.07580830000001,163.07537600000001,"C04514","(1S,2S)-1,2-Dihydronaphthalene-1,2-diol;trans-1,2-Dihydronaphthalene-1,2-diol","C10H10O2",162.06809999999999,"M+H",3]
["Multiple",163.07580830000001,163.07537600000001,"C15419","trans-2-Phenylcyclopropanecarboxylic acid","C10H10O2",162.06809999999999,"M+H",3]
["Multiple",163.07580830000001,163.07537600000001,"C12088","4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one","C10H10O2",162.06809999999999,"M+H",3]
["Multiple",165.09152270000001,165.09097600000001,"C12303","Phenethyl acetate;2-Phenylethyl acetate","C10H12O2",164.08369999999999,"M+H",3]
["Multiple",165.09152270000001,165.09097600000001,"C19229","Dihydrosafrole;1,2-(Methylenedioxy)-4-propylbenzene","C10H12O2",164.08369999999999,"M+H",3]
["Multiple",165.09152270000001,165.09097600000001,"C09858","Evodone","C10H12O2",164.08369999999999,"M+H",3]
["Multiple",165.09152270000001,165.09097600000001,"C09905","gamma-Thujaplicin;5-Isopropyltropolone","C10H12O2",164.08369999999999,"M+H",3]
["Multiple",165.09152270000001,165.09097600000001,"C10469","Isoeugenol","C10H12O2",164.08369999999999,"M+H",3]
["Multiple",165.09152270000001,165.09097600000001,"C10453","Eugenol","C10H12O2",164.08369999999999,"M+H",3]
["Multiple",165.09152270000001,165.09097600000001,"C09904","beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone","C10H12O2",164.08369999999999,"M+H",3]
["Multiple",165.09152270000001,165.09097600000001,"C19729","(2E,4E,6E)-2,6-Dimethylocta-2,4,6-trienedial","C10H12O2",164.08369999999999,"M+H",3]
["Multiple",165.09152270000001,165.09097600000001,"C06578","p-Cumate","C10H12O2",164.08369999999999,"M+H",3]
["Multiple",167.03441760000001,167.03387599999999,"C03590","4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate","C8H6O4",166.0266,"M+H",3]
["Multiple",167.03441760000001,167.03387599999999,"C14096","3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid","C8H6O4",166.0266,"M+H",3]
["Multiple",167.03441760000001,167.03387599999999,"C01606","Phthalate;o-Phthalic acid;1,2-Benzenedicarboxylic acid","C8H6O4",166.0266,"M+H",3]
["Multiple",167.03441760000001,167.03387599999999,"C14100","4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid","C8H6O4",166.0266,"M+H",3]
["Multiple",167.03441760000001,167.03387599999999,"C06337","Terephthalate;Terephthalic acid;1,4-Benzenedicarboxylic acid","C8H6O4",166.0266,"M+H",3]
["Multiple",167.070877,167.07027600000001,"C12206","Caffeyl alcohol","C9H10O3",166.06299999999999,"M+H",3]
["Multiple",167.070877,167.07027600000001,"C01198","3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate","C9H10O3",166.06299999999999,"M+H",3]
["Multiple",167.070877,167.07027600000001,"C03080","4-Hydroxyhydratropate","C9H10O3",166.06299999999999,"M+H",3]
["Multiple",167.070877,167.07027600000001,"C01456","Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid","C9H10O3",166.06299999999999,"M+H",3]
["Multiple",167.070877,167.07027600000001,"C02363","3-Ethoxybenzoate;3-Ethoxybenzoic acid","C9H10O3",166.06299999999999,"M+H",3]
["Multiple",167.070877,167.07027600000001,"C01744","Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid","C9H10O3",166.06299999999999,"M+H",3]
["Multiple",167.070877,167.07027600000001,"C11457","3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate","C9H10O3",166.06299999999999,"M+H",3]
["Multiple",167.070877,167.07027600000001,"C05607","Phenyllactate;(R)-Phenyllactate","C9H10O3",166.06299999999999,"M+H",3]
["Multiple",167.070877,167.07027600000001,"C11380","Apocynin;Acetovanillone","C9H10O3",166.06299999999999,"M+H",3]
["Multiple",167.070877,167.07027600000001,"C05581","3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin","C9H10O3",166.06299999999999,"M+H",3]
["Multiple",167.070877,167.07027600000001,"C10712","Paeonol","C9H10O3",166.06299999999999,"M+H",3]
["Multiple",167.070877,167.07027600000001,"C02201","Veratraldehyde;Veratric aldehyde;3,4-Dimethoxybenzaldehyde","C9H10O3",166.06299999999999,"M+H",3]
["Multiple",167.1071647,167.10667599999999,"C18352","Oxocamphor;10-Oxocamphor;beta-Oxocamphor","C10H14O2",166.0994,"M+H",3]
["Multiple",167.1071647,167.10667599999999,"C18343","4-n-Butylresorcinol;Rucinol (TN)","C10H14O2",166.0994,"M+H",3]
["Multiple",167.1071647,167.10667599999999,"C11940","Myrtenic acid;6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylic acid","C10H14O2",166.0994,"M+H",3]
["Multiple",167.1071647,167.10667599999999,"C03037","(+)-Bornane-2,5-dione;2,5-Diketocamphane","C10H14O2",166.0994,"M+H",3]
["Multiple",167.1071647,167.10667599999999,"C09841","Carvone oxide","C10H14O2",166.0994,"M+H",3]
["Multiple",167.1071647,167.10667599999999,"C17622","(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial","C10H14O2",166.0994,"M+H",3]
["Multiple",167.1071647,167.10667599999999,"C09777","Dolichodial;Iridial","C10H14O2",166.0994,"M+H",3]
["Multiple",167.1071647,167.10667599999999,"C17690","4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol","C10H14O2",166.0994,"M+H",3]
["Multiple",167.1071647,167.10667599999999,"C09792","Nepetalactone trans-cis-form","C10H14O2",166.0994,"M+H",3]
["Multiple",167.1071647,167.10667599999999,"C20320","Bornane-2,6-dione;6-Oxocamphor","C10H14O2",166.0994,"M+H",3]
["Multiple",167.1071647,167.10667599999999,"C17824","(+/-)-Asarinol A","C10H14O2",166.0994,"M+H",3]
["Multiple",167.1071647,167.10667599999999,"C14515","Camphorquinone","C10H14O2",166.0994,"M+H",3]
["Multiple",167.1071647,167.10667599999999,"C14351","4-Butoxyphenol","C10H14O2",166.0994,"M+H",3]
["Multiple",167.1071647,167.10667599999999,"C09887","Piquerol A","C10H14O2",166.0994,"M+H",3]
["Multiple",167.1071647,167.10667599999999,"C09791","Nepetalactone cis-trans-form","C10H14O2",166.0994,"M+H",3]
["Multiple",167.1071647,167.10667599999999,"C11924","Perillic acid","C10H14O2",166.0994,"M+H",3]
["Multiple",167.1071647,167.10667599999999,"C09896","Rotundifolone;Lippione","C10H14O2",166.0994,"M+H",3]
["Multiple",168.077271,168.076776,"C16396","2,4-Diamino-6-nitrotoluene","C7H9N3O2",167.06950000000001,"M+H",3]
["Multiple",168.077271,168.076776,"C16397","2,6-Diamino-4-nitrotoluene","C7H9N3O2",167.06950000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C09804","cis-trans-Nepetalactol;cis-trans-Iridodial lactol","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C16461","Geranic acid;3,7-Dimethylocta-2,6-dienoate;Geranate","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C08546","Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C09785","(+)-Iridodial","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C03448","(+)-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C09786","Iridomyrmecin","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C02108","1,2-Campholide","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C11402","(4R,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C06069","Iridodial;cis-trans-Iridodial","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C11937","(1S,4R)-1-Hydroxy-2-oxolimonene;(1S,4R)-1-Hydroxymenth-8-en-2-one","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C11414","(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C20222","(6E)-8-Hydroxygeranial","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C11944","cis-2-Methyl-5-isopropylhexa-2,5-dienoic acid","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C09842","Chrysanthemic acid","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C00848","6-Oxocineole;(1R,4S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-one;2-Oxo-1,8-cineole","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C08489","(Z)-3,5-Hexadienyl butyrate","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C19083","(1R,4S)-1-Hydroxy-2-oxolimonene","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C20323","(+)-6-endo-Hydroxycamphor","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C20221","(6E)-8-Oxolinalool;trans-8-Oxolinalool","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C11403","(3S,6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C11651","8-Epiiridodial","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C09836","Ascaridole","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C20322","(+)-6-exo-Hydroxycamphor","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C11943","trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C19731","(3S)-3-Hydroxycyclocitral","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C20223","(6E)-8-Oxogeraniol","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C11418","(3S,6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C09854","Diosphenol","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C18019","1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one","C10H16O2",168.11500000000001,"M+H",3]
["Multiple",169.12281290000001,169.122276,"C08498","Lilac aldehyde","C10H16O2",168.11500000000001,"M+H",3]
["Unique",169.97785859999999,169.979276,"C07279","2-Aminoethylarsonate;2-Aminoethylarsonic acid","C2H8AsNO3",168.97200000000001,"M+H",3]
["Multiple",170.1544954,170.153976,"C10773","Lupinine","C10H19NO",169.14670000000001,"M+H",3]
["Multiple",170.1544954,170.153976,"C10163","Nitramine","C10H19NO",169.14670000000001,"M+H",3]
["Multiple",171.1385027,171.13797600000001,"C18020","p-Menth-8-ene-1,2-diol;1-Methyl-4-(1-methylethenyl)-1,2-cyclohexanediol;Menth-8-ene-1,2-diol","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",171.1385027,171.13797600000001,"C16462","Citronellate;Citronellic acid;3,7-Dimethyl-6-octenoic acid","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",171.1385027,171.13797600000001,"C07276","Limonene-1,2-diol;(1S,2S,4R)-Limonene-1,2-diol;(1S,2S,4R)-Menth-8-ene-1,2-diol","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",171.1385027,171.13797600000001,"C18027","(4R,7S)-7-Isopropyl-4-methyloxepan-2-one;(4R,7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",171.1385027,171.13797600000001,"C04433","(E)-3,7-Dimethylocta-1,6-diene-3,8-diol;(6E)-8-Hydroxylinalool","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",171.1385027,171.13797600000001,"C18202","8-Methyl-6-nonenoic acid","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",171.1385027,171.13797600000001,"C19082","(1R,2R,4S)-Limonene-1,2-diol;(1R,2R,4S)-Menth-8-ene-1,2-diol","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",171.1385027,171.13797600000001,"C03092","6-endo-Hydroxycineole;2-endo-Hydroxy-1,8-cineole","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",171.1385027,171.13797600000001,"C09790","(+)-Neomatatabiol","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",171.1385027,171.13797600000001,"C18066","7-Isopropyl-4-methyloxepan-2-one","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",171.1385027,171.13797600000001,"C17621","(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",171.1385027,171.13797600000001,"C20326","2-exo-Hydroxy-1,8-cineole","C10H18O2",170.13069999999999,"M+H",3]
["Multiple",172.0973731,172.09677600000001,"C11837","N-Butyryl-L-homoserine lactone","C8H13NO3",171.08949999999999,"M+H",3]
["Multiple",172.0973731,172.09677600000001,"C10284","Crotanecine","C8H13NO3",171.08949999999999,"M+H",3]
["Unique",173.11782550000001,173.117176,"C16322","9-Oxononanoic acid","C9H16O3",172.10990000000001,"M+H",3]
["Multiple",174.12830579999999,174.12767600000001,"C15476","Norselegiline","C12H15N",173.12039999999999,"M+H",3]
["Multiple",174.12830579999999,174.12767600000001,"C04599","1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine;MPTP","C12H15N",173.12039999999999,"M+H",3]
["Multiple",176.99686539999999,176.998076,"C19399","2,6-Dichloro-para-phenylenediamine;2,6-Dichloro-1,4-benzenediamine","C6H6Cl2N2",175.99080000000001,"M+H",3]
["Multiple",176.99686539999999,176.998076,"C08171","Sodium thiosalicylate;2-Mercapto-benzoic acid, monosodium salt","C7H5O2S. Na",175.99080000000001,"M+H",3]
["Multiple",177.0551907,177.054576,"C01173","1,3,8-Naphthalenertriol;1,3,8-Trihydroxynaphthalene","C10H8O3",176.04730000000001,"M+H",3]
["Multiple",177.0551907,177.054576,"C09268","Herniarin;7-Methoxycoumarin","C10H8O3",176.04730000000001,"M+H",3]
["Multiple",177.0551907,177.054576,"C03081","4-Methylumbelliferone;Hymecromone","C10H8O3",176.04730000000001,"M+H",3]
["Multiple",177.0916837,177.09097600000001,"C14083","cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene","C11H12O2",176.08369999999999,"M+H",3]
["Multiple",177.0916837,177.09097600000001,"C10389","Prenylbenzoquinone","C11H12O2",176.08369999999999,"M+H",3]
["Multiple",177.0916837,177.09097600000001,"C06359","Ethyl cinnamate;3-Phenylpropenoic acid ethyl","C11H12O2",176.08369999999999,"M+H",3]
["Multiple",177.0916837,177.09097600000001,"C14102","cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene","C11H12O2",176.08369999999999,"M+H",3]
["Multiple",177.0916837,177.09097600000001,"C08453","Lachnophyllum ester;2-Decene-4,6-diynoic acid, methyl ester, (E)-","C11H12O2",176.08369999999999,"M+H",3]
["Multiple",177.0916837,177.09097600000001,"C14111","5,6,7,8-Tetrahydro-2-naphthoic acid","C11H12O2",176.08369999999999,"M+H",3]
["Multiple",177.0916837,177.09097600000001,"C12299","Cinnamyl acetate;3-Phenyl-2-propenyl acetate","C11H12O2",176.08369999999999,"M+H",3]
["Unique",178.99125699999999,178.99267599999999,"C20341","Disodium malate;Disodium DL-malate","C4H4O5. 2Na",177.9854,"M+H",3]
["Unique",179.01509129999999,179.01377600000001,"C11582","2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride","C6H7ClN2. HCl",178.00649999999999,"M+H",3]
["Multiple",179.14360249999999,179.14307600000001,"C07523","Propofol;2,6-Diisopropylphenol","C12H18O",178.13579999999999,"M+H",3]
["Multiple",179.14360249999999,179.14307600000001,"C14465","4-n-Hexylphenol","C12H18O",178.13579999999999,"M+H",3]
["Multiple",179.14362800000001,179.14307600000001,"C07523","Propofol;2,6-Diisopropylphenol","C12H18O",178.13579999999999,"M+H",3]
["Multiple",179.14362800000001,179.14307600000001,"C14465","4-n-Hexylphenol","C12H18O",178.13579999999999,"M+H",3]
["Multiple",181.07256509999999,181.07197600000001,"C07480","Theobromine;3,7-Dimethylxanthine","C7H8N4O2",180.06469999999999,"M+H",3]
["Multiple",181.07256509999999,181.07197600000001,"C13747","1,7-Dimethylxanthine;Paraxanthine","C7H8N4O2",180.06469999999999,"M+H",3]
["Multiple",181.07256509999999,181.07197600000001,"C07130","Theophylline;1,3-Dimethylxanthine","C7H8N4O2",180.06469999999999,"M+H",3]
["Unique",181.12289419999999,181.122276,"C03929","3-tert-Butyl-5-methylcatechol","C11H16O2",180.11500000000001,"M+H",3]
["Unique",181.15925279999999,181.15867600000001,"C08375","(3Z,6Z,9Z)-3,6,9-Dodecatrien-1-ol;(Z,Z,Z)-3,6,9-Dodecatrien-1-ol","C12H20O",180.1514,"M+H",3]
["Multiple",183.07883530000001,183.080476,"C06354","Benzophenone;Diphenyl ketone","C13H10O",182.07320000000001,"M+H",3]
["Multiple",183.07883530000001,183.080476,"C06711","Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol","C13H10O",182.07320000000001,"M+H",3]
["Multiple",183.07883530000001,183.080476,"C08399","Carlina oxide","C13H10O",182.07320000000001,"M+H",3]
["Multiple",183.07883530000001,183.080476,"C01464","Xanthan;Xanthene","C13H10O",182.07320000000001,"M+H",3]
["Multiple",183.07883530000001,183.080476,"C16918","Atractylodin","C13H10O",182.07320000000001,"M+H",3]
["Multiple",183.07883530000001,183.080476,"C14460","2-Hydroxyfluorene;Fluoren-2-ol","C13H10O",182.07320000000001,"M+H",3]
["Multiple",183.07883530000001,183.07807600000001,"C03113","Diisopropyl phosphate","C6H15O4P",182.07079999999999,"M+H",3]
["Unique",184.0433056,184.042676,"C17239","p-Hydroxyphenylacetothiohydroximate","C8H9NO2S",183.03540000000001,"M+H",3]
["Multiple",184.07393189999999,184.07567599999999,"C20316","4-Nitrosobiphenyl","C12H9NO",183.0684,"M+H",3]
["Unique",184.98616730000001,184.984576,"C03232","3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid","C3H5O7P",183.97730000000001,"M+H",3]
["Multiple",185.07921260000001,185.08087599999999,"C04535","7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate","C9H12O4",184.0736,"M+H",3]
["Multiple",185.07921260000001,185.08087599999999,"C11588","cis-3-(Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol;cis-3-(2-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol;3-(cis-5,6-Dihydroxycyclohexa-1,3-dien-1-yl)propanoate","C9H12O4",184.0736,"M+H",3]
["Multiple",185.07921260000001,185.08087599999999,"C10765","Antiarol;3,4,5-Trimethoxyphenol","C9H12O4",184.0736,"M+H",3]
["Multiple",185.07921260000001,185.08087599999999,"C06582","2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate","C9H12O4",184.0736,"M+H",3]
["Multiple",185.07921260000001,185.08087599999999,"C11456","cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol","C9H12O4",184.0736,"M+H",3]
["Multiple",185.07921260000001,185.08087599999999,"C05594","3-Methoxy-4-hydroxyphenylethyleneglycol","C9H12O4",184.0736,"M+H",3]
["Multiple",185.15420900000001,185.15357599999999,"C13910","Undecylenic acid;Undecenoic acid","C11H20O2",184.1463,"M+H",3]
["Multiple",185.15420900000001,185.15357599999999,"C08571","gamma-Undecalactone;2(3H)-Furanone, 5-heptyldihydro-","C11H20O2",184.1463,"M+H",3]
["Multiple",185.15420900000001,185.15357599999999,"C13823","11-Undecanolactone","C11H20O2",184.1463,"M+H",3]
["Multiple",185.15420900000001,185.15357599999999,"C19420","2-Ethylhexyl acrylate","C11H20O2",184.1463,"M+H",3]
["Multiple",185.15420900000001,185.15357599999999,"C12295","Citronellyl formate","C11H20O2",184.1463,"M+H",3]
["Unique",187.0970715,187.096476,"C14112","cis-2-Carboxycyclohexyl-acetic acid","C9H14O4",186.08920000000001,"M+H",3]
["Multiple",187.13344050000001,187.13287600000001,"C11406","(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate","C10H18O3",186.12559999999999,"M+H",3]
["Multiple",187.13344050000001,187.13287600000001,"C11417","(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate","C10H18O3",186.12559999999999,"M+H",3]
["Multiple",187.13344050000001,187.13287600000001,"C11420","(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate","C10H18O3",186.12559999999999,"M+H",3]
["Multiple",187.13344050000001,187.13287600000001,"C11404","(3R)-6-Hydroxy-3-isopropenyl-heptanoate","C10H18O3",186.12559999999999,"M+H",3]
["Multiple",187.13344050000001,187.13287600000001,"C20714","3-Oxodecanoate","C10H18O3",186.12559999999999,"M+H",3]
["Multiple",187.13344050000001,187.13287600000001,"C02217","10-Oxodecanoate","C10H18O3",186.12559999999999,"M+H",3]
["Multiple",187.13344050000001,187.13287600000001,"C13945","2-Oxodecanoic acid;2-Oxodecanoate","C10H18O3",186.12559999999999,"M+H",3]
["Multiple",187.13344050000001,187.13287600000001,"C17620","Epomediol;2,6-Dihydroxycineol","C10H18O3",186.12559999999999,"M+H",3]
["Unique",190.96753240000001,190.96607599999999,"C06670","2,4-Dichlorobenzoate;2,4-Dichlorobenzoic acid","C7H4Cl2O2",189.9588,"M+H",3]
["Multiple",191.00187399999999,191.00087600000001,"C06336","3-Sulfocatechol;2,3-Dihydroxybenzenesulfonate","C6H6O5S",189.99359999999999,"M+H",3]
["Multiple",191.00187399999999,191.00087600000001,"C06674","4-Sulfocatechol","C6H6O5S",189.99359999999999,"M+H",3]
["Multiple",191.10591070000001,191.10667599999999,"C12459","3-Dimethylallyl-4-hydroxybenzaldehyde","C12H14O2",190.0994,"M+H",3]
["Multiple",191.10591070000001,191.10667599999999,"C16987","Ligustilide","C12H14O2",190.0994,"M+H",3]
["Multiple",191.10591070000001,191.10667599999999,"C06360","Propyl cinnamate;3-Phenylpropenoic acid propyl ester","C12H14O2",190.0994,"M+H",3]
["Multiple",191.10591070000001,191.10667599999999,"C17854","Butylphthalide","C12H14O2",190.0994,"M+H",3]
["Multiple",191.10591070000001,191.10667599999999,"C09017","Precocene I;Precocene 1","C12H14O2",190.0994,"M+H",3]
["Multiple",192.13884060000001,192.13827599999999,"C10935","N,N-Diethyl-m-toluamide;Diethyltoluamide;DEET","C12H17NO",191.131,"M+H",3]
["Multiple",192.13884060000001,192.13827599999999,"C07904","Phendimetrazine","C12H17NO",191.131,"M+H",3]
["Multiple",192.13884060000001,192.13827599999999,"C10938","N,N-Diethylphenylacetamide;DEPA","C12H17NO",191.131,"M+H",3]
["Unique",193.1318488,193.13357600000001,"C07142","Tocainide","C11H16N2O",192.12629999999999,"M+H",3]
["Multiple",193.15932979999999,193.15867600000001,"C14698","4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene","C13H20O",192.1514,"M+H",3]
["Multiple",193.15932979999999,193.15867600000001,"C12286","alpha-Ionone","C13H20O",192.1514,"M+H",3]
["Multiple",193.15932979999999,193.15867600000001,"C12287","beta-Ionone;trans-beta-Ionone","C13H20O",192.1514,"M+H",3]
["Multiple",194.11818450000001,194.11757600000001,"C07577","3,4-Methylenedioxymethamphetamine;N-Methyl-3,4-methylenedioxyamphetamine;MDMA","C11H15NO2",193.1103,"M+H",3]
["Multiple",194.11818450000001,194.11757600000001,"C09460","Heliamine","C11H15NO2",193.1103,"M+H",3]
["Multiple",194.11818450000001,194.11757600000001,"C18957","2,3,5-Trimethacarb","C11H15NO2",193.1103,"M+H",3]
["Multiple",194.11818450000001,194.11757600000001,"C07875","Butamben","C11H15NO2",193.1103,"M+H",3]
["Multiple",194.11818450000001,194.11757600000001,"C18418","Isoprocarb","C11H15NO2",193.1103,"M+H",3]
["Multiple",194.11818450000001,194.11757600000001,"C09640","(-)-Salsoline","C11H15NO2",193.1103,"M+H",3]
["Multiple",195.08830810000001,195.08767599999999,"C07481","Caffeine;1,3,7-Trimethylxanthine","C8H10N4O2",194.0804,"M+H",3]
["Multiple",195.13864580000001,195.13797600000001,"C14305","4-Hexyloxyphenol","C12H18O2",194.13069999999999,"M+H",3]
["Multiple",195.13864580000001,195.13797600000001,"C17002","Neocnidilide","C12H18O2",194.13069999999999,"M+H",3]
["Multiple",195.13864580000001,195.13797600000001,"C16937","Cnidilide","C12H18O2",194.13069999999999,"M+H",3]
["Unique",195.17500390000001,195.174376,"C03527","Oxidized Latia luciferin","C13H22O",194.1671,"M+H",3]
["Multiple",197.1543044,197.15357599999999,"C08486","Ethyl(E,Z)-decadienoate;(2E,4Z)-2,4-Decadienoic acid, ethyl ester;Ethyl trans-2,cis-4-decadienoate","C12H20O2",196.1463,"M+H",3]
["Multiple",197.1543044,197.15357599999999,"C09861","Geranyl acetate","C12H20O2",196.1463,"M+H",3]
["Multiple",197.1543044,197.15357599999999,"C11338","Bornyl acetate;(1R,2S,4R)-(+)-Bornyl acetate","C12H20O2",196.1463,"M+H",3]
["Multiple",197.1543044,197.15357599999999,"C12300","alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate","C12H20O2",196.1463,"M+H",3]
["Multiple",197.1543044,197.15357599999999,"C12306","Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate","C12H20O2",196.1463,"M+H",3]
["Multiple",197.1543044,197.15357599999999,"C09863","Linalyl acetate","C12H20O2",196.1463,"M+H",3]
["Multiple",197.1543044,197.15357599999999,"C09837","(1S,2R,4S)-(-)-Bornyl acetate","C12H20O2",196.1463,"M+H",3]
["Multiple",197.1543044,197.15357599999999,"C12302","gamma-Terpinyl acetate;Cyclohexanol, 1-methyl-4-(1-methylethylidene)-, 1-acetate;p-Menth-4-en-1-yl acetate","C12H20O2",196.1463,"M+H",3]
["Multiple",197.1543044,197.15357599999999,"C12301","beta-Terpinyl acetate;Cyclohexanol, 1-methyl-4-(1-methylethenyl)-, 1-acetate","C12H20O2",196.1463,"M+H",3]
["Unique",199.00086289999999,199.00017600000001,"C04309","Phosphoenol-4-deoxy-3-tetrulosonate","C4H7O7P",197.99289999999999,"M+H",3]
["Multiple",199.0736115,199.07537600000001,"C17856","Atractylodinol","C13H10O2",198.06809999999999,"M+H",3]
["Multiple",199.0736115,199.07537600000001,"C08447","Dehydrosafynol;(2R,11E)-11-Tridecene-3,5,7,9-tetrayne-1,2-diol","C13H10O2",198.06809999999999,"M+H",3]
["Multiple",199.0736115,199.07537600000001,"C07724","1,2-Dihydroxyfluorene","C13H10O2",198.06809999999999,"M+H",3]
["Multiple",199.0736115,199.07537600000001,"C07717","3,4-Dihydroxyfluorene","C13H10O2",198.06809999999999,"M+H",3]
["Multiple",199.0736115,199.07537600000001,"C16926","Capillarin","C13H10O2",198.06809999999999,"M+H",3]
["Multiple",199.0736115,199.07537600000001,"C14230","4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone","C13H10O2",198.06809999999999,"M+H",3]
["Multiple",199.16990490000001,199.169276,"C09870","(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate","C12H22O2",198.16200000000001,"M+H",3]
["Multiple",199.16990490000001,199.169276,"C16947","Decanoyl acetaldehyde","C12H22O2",198.16200000000001,"M+H",3]
["Multiple",199.16990490000001,199.169276,"C16825","Neomenthyl acetate","C12H22O2",198.16200000000001,"M+H",3]
["Multiple",199.16990490000001,199.169276,"C12298","Citronellyl acetate;3,7-Dimethyl-6-octen-1-yl acetate","C12H22O2",198.16200000000001,"M+H",3]
["Unique",199.18105320000001,199.180476,"C19109","Cycluron","C11H22N2O",198.17320000000001,"M+H",3]
["Unique",200.8598494,200.859376,"C19496","Pentachloroethane;1,1,1,2,2-Pentachloro-ethane","C2HCl5",199.85210000000001,"M+H",3]
["Unique",203.1069602,203.10667599999999,"C08992","Tremetone","C13H14O2",202.0994,"M+H",3]
["Multiple",205.08653860000001,205.08587600000001,"C09921","3-Butylidene-7-hydroxyphthalide","C12H12O3",204.07859999999999,"M+H",3]
["Multiple",206.06742980000001,206.066776,"C00248","Lipoamide;Thioctic acid amide","C8H15NOS2",205.05950000000001,"M+H",3]
["Unique",206.8211866,206.82067599999999,"C14692","Chlorodibromomethane;Dibromochloromethane","CHBr2Cl",205.8134,"M+H",3]
["Multiple",208.0699606,208.071676,"C10902","Methyl 5-hydroxy-2-benzimidazole carbamate","C9H9N3O3",207.06440000000001,"M+H",3]
["Multiple",208.0699606,208.071676,"C16624","Isoniazid pyruvate","C9H9N3O3",207.06440000000001,"M+H",3]
["Unique",209.01365559999999,209.01307600000001,"C19844","(1S,3R)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate","C8H10Cl2O2",208.00579999999999,"M+H",3]
["Multiple",209.1178482,209.117176,"C10451","Elemicin","C12H16O3",208.10990000000001,"M+H",3]
["Multiple",209.1178482,209.117176,"C17821","2,4,5-Trimethoxy-1-allylbenzene;gamma-Asarone","C12H16O3",208.10990000000001,"M+H",3]
["Multiple",209.1178482,209.117176,"C10390","Primin","C12H16O3",208.10990000000001,"M+H",3]
["Multiple",209.1178482,209.117176,"C15765","Coronafacic acid","C12H16O3",208.10990000000001,"M+H",3]
["Multiple",209.1178482,209.117176,"C04562","Benzyl (2S,3S)-2-methyl-3-hydroxybutanoate","C12H16O3",208.10990000000001,"M+H",3]
["Multiple",209.1178482,209.117176,"C17846","alpha-Asaron","C12H16O3",208.10990000000001,"M+H",3]
["Multiple",209.1178482,209.117176,"C04561","Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate","C12H16O3",208.10990000000001,"M+H",3]
["Multiple",209.1178482,209.117176,"C16975","Isoelemicin","C12H16O3",208.10990000000001,"M+H",3]
["Multiple",209.1178482,209.117176,"C10430","beta-Asarone;cis-Asarone;(Z)-1-(2,4,5-Trimethoxyphenyl)-1-propene","C12H16O3",208.10990000000001,"M+H",3]
["Unique",209.15426170000001,209.15357599999999,"C14236","4-Heptyloxyphenol;p-n-Heptyloxyphenol","C13H20O2",208.1463,"M+H",3]
["Multiple",210.05077299999999,210.05257599999999,"C17949","N-Acetyldemethylphosphinothricin;N-Adpt","C6H12NO5P",209.0453,"M+H",3]
["Unique",211.01112989999999,211.009376,"C18719","Dimethipin;2,3-dihydro-5,6-dimethyl-1,4-dithiine 1,1,4,4-tetraoxide","C6H10O4S2",210.00210000000001,"M+H",3]
["Multiple",211.13355089999999,211.13287600000001,"C08491","(-)-Jasmonic acid;Jasmonic acid;{(1R,2R)-3-Oxo-2-[(Z)pent-2-enyl]cyclopent-2-enyl}acetic acid;Jasmonate","C12H18O3",210.12559999999999,"M+H",3]
["Multiple",211.13355089999999,211.13287600000001,"C16317","(+)-7-Isojasmonic acid","C12H18O3",210.12559999999999,"M+H",3]
["Multiple",213.11284939999999,213.11217600000001,"C20790","7-Deoxyloganetin","C11H16O4",212.10489999999999,"M+H",3]
["Multiple",213.11284939999999,213.11347599999999,"C19254","MeIQ;2-Amino-3,4-dimethylimidazo[4,5-f]quinoline","C12H12N4",212.1062,"M+H",3]
["Multiple",213.11284939999999,213.11347599999999,"C14617","Chrysoidine free base;Grasan Chrysoidine","C12H12N4",212.1062,"M+H",3]
["Multiple",213.14883829999999,213.14847599999999,"C16309","Traumatin;(10E)-12-Oxododecenoic acid","C12H20O3",212.1412,"M+H",3]
["Multiple",213.14883829999999,213.14847599999999,"C08482","Cucurbic acid","C12H20O3",212.1412,"M+H",3]
["Multiple",213.14883829999999,213.14847599999999,"C16311","12-Oxo-9(Z)-dodecenoic acid","C12H20O3",212.1412,"M+H",3]
["Multiple",213.14883829999999,213.14847599999999,"C08509","Putaminoxin","C12H20O3",212.1412,"M+H",3]
["Unique",213.16047040000001,213.15977599999999,"C16836","1,4'-Bipiperidine-1'-carboxylic acid;[1,4'-Bipiperidine]-1'-carboxylic acid","C11H20N2O2",212.1525,"M+H",3]
["Unique",213.18559060000001,213.184876,"C18206","cis-11-Methyl-2-dodecenoic acid","C13H24O2",212.17760000000001,"M+H",3]
["Unique",215.0241714,215.02337600000001,"C19268","Niridazole","C6H6N4O3S",214.01609999999999,"M+H",3]
["Multiple",215.12708520000001,215.126476,"C01223","Methyl 2-diazoacetamidohexonate","C9H16N3O3",214.11920000000001,"M+H",3]
["Multiple",215.12708520000001,215.126476,"C04130","Methyl 2-diazoacetamidohexanoate","C9H16N3O3",214.11920000000001,"M+H",3]
["Unique",215.1649352,215.164176,"C02367","3-Oxododecanoic acid;3-Oxododecanoate","C12H22O3",214.15690000000001,"M+H",3]
["Multiple",216.06378359999999,216.063176,"C01233","sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine","C5H14NO6P",215.05590000000001,"M+H",3]
["Multiple",216.06378359999999,216.06547599999999,"C10736","Robustine;Furo(2,3-b)quinolin-8-ol, 4-methoxy-","C12H9NO3",215.0582,"M+H",3]
["Unique",216.92344660000001,216.922076,"C19205","3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone","C5H3Cl3O3",215.91480000000001,"M+H",3]
["Multiple",217.1594312,217.15867600000001,"C16959","Furanodiene","C15H20O",216.1514,"M+H",3]
["Multiple",217.1594312,217.15867600000001,"C16919","Atractylone;Atractylol;Atractyloxide","C15H20O",216.1514,"M+H",3]
["Multiple",219.17498639999999,219.174376,"C09730","beta-Sinensal;2,6-Dimethyl-10-methylene-2,6,11-dodecatrienal","C15H22O",218.1671,"M+H",3]
["Multiple",219.17498639999999,219.174376,"C17494","Turmerone","C15H22O",218.1671,"M+H",3]
["Multiple",219.17498639999999,219.174376,"C19677","Germacra-1(10),4,11(13)-trien-12-al","C15H22O",218.1671,"M+H",3]
["Multiple",219.17498639999999,219.174376,"C16966","Germacrone","C15H22O",218.1671,"M+H",3]
["Multiple",219.17498639999999,219.174376,"C09737","Solavetivone","C15H22O",218.1671,"M+H",3]
["Multiple",219.17498639999999,219.174376,"C09729","alpha-Sinensal","C15H22O",218.1671,"M+H",3]
["Multiple",219.17498639999999,219.174376,"C17501","Cyperotundone;Cyperenone","C15H22O",218.1671,"M+H",3]
["Multiple",219.17498639999999,219.174376,"C17954","Albaflavenone","C15H22O",218.1671,"M+H",3]
["Multiple",219.17498639999999,219.174376,"C16779","Dendrolasin","C15H22O",218.1671,"M+H",3]
["Multiple",219.17498639999999,219.174376,"C20308","Artemisinic aldehyde","C15H22O",218.1671,"M+H",3]
["Multiple",219.17498639999999,219.174376,"C09745","beta-Vetivone","C15H22O",218.1671,"M+H",3]
["Multiple",219.17498639999999,219.174376,"C20262","Zerumbone","C15H22O",218.1671,"M+H",3]
["Multiple",219.17498639999999,219.174376,"C19939","Pentalen-13-al","C15H22O",218.1671,"M+H",3]
["Multiple",219.17498639999999,219.174376,"C17914","Nootkatone","C15H22O",218.1671,"M+H",3]
["Multiple",219.17498639999999,219.174376,"C09938","(+)-8-Hydroxycalamenene","C15H22O",218.1671,"M+H",3]
["Multiple",219.17498639999999,219.174376,"C09744","alpha-Vetivone","C15H22O",218.1671,"M+H",3]
["Multiple",221.1180612,221.117176,"C12263","1,2-Dimethoxy-4-[2-(2-propenyloxy)ethenyl]-benzene","C13H16O3",220.10990000000001,"M+H",3]
["Multiple",221.1180612,221.117176,"C09928","Flossonol","C13H16O3",220.10990000000001,"M+H",3]
["Multiple",221.1180612,221.117176,"C09018","Precocene II;Precocene 2","C13H16O3",220.10990000000001,"M+H",3]
["Multiple",221.15425880000001,221.15357599999999,"C09519","Oblongolide","C14H20O2",220.1463,"M+H",3]
["Multiple",221.15425880000001,221.15357599999999,"C09673","Glutinosone","C14H20O2",220.1463,"M+H",3]
["Multiple",221.16312120000001,221.16487599999999,"C07531","Prilocaine","C13H20N2O",220.1576,"M+H",3]
["Multiple",222.14948870000001,222.148876,"C10142","Dioscorine","C13H19NO2",221.14160000000001,"M+H",3]
["Multiple",222.14948870000001,222.148876,"C09375","(+-)-Carnegine;Carnegine","C13H19NO2",221.14160000000001,"M+H",3]
["Multiple",223.0642722,223.06347600000001,"C17214","2-(3'-Methylthio)propylmalic acid;2-(3'-Methylthio)propylmalate","C8H14O5S",222.05619999999999,"M+H",3]
["Multiple",223.0642722,223.06347600000001,"C17215","3-(3'-Methylthio)propylmalic acid;3-(3'-Methylthio)propylmalate","C8H14O5S",222.05619999999999,"M+H",3]
["Multiple",223.0972391,223.096476,"C10449","Dillapiole;Dillapiol","C12H14O4",222.08920000000001,"M+H",3]
["Multiple",223.0972391,223.096476,"C19228","Diglycidyl resorcinol ether","C12H14O4",222.08920000000001,"M+H",3]
["Multiple",223.0972391,223.096476,"C14175","Diethyl phthalate;Diethyl 1,2-benzenedicarboxylate","C12H14O4",222.08920000000001,"M+H",3]
["Multiple",223.0972391,223.096476,"C20225","Coniferyl acetate","C12H14O4",222.08920000000001,"M+H",3]
["Multiple",223.0972391,223.096476,"C10429","Apiole","C12H14O4",222.08920000000001,"M+H",3]
["Multiple",223.13358030000001,223.13287600000001,"C04223","(+/-)-6-Hydroxy-3-oxo-alpha-ionone","C13H18O3",222.12559999999999,"M+H",3]
["Multiple",223.13358030000001,223.13287600000001,"C02533","Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone","C13H18O3",222.12559999999999,"M+H",3]
["Multiple",223.16993260000001,223.169276,"C16977","Isokobusone","C14H22O2",222.16200000000001,"M+H",3]
["Multiple",223.16993260000001,223.169276,"C09715","Rishitin","C14H22O2",222.16200000000001,"M+H",3]
["Multiple",223.16993260000001,223.169276,"C16983","Kobusone","C14H22O2",222.16200000000001,"M+H",3]
["Multiple",223.170152,223.169276,"C16983","Kobusone","C14H22O2",222.16200000000001,"M+H",3]
["Multiple",223.170152,223.169276,"C16977","Isokobusone","C14H22O2",222.16200000000001,"M+H",3]
["Multiple",223.170152,223.169276,"C09715","Rishitin","C14H22O2",222.16200000000001,"M+H",3]
["Unique",224.0123475,224.01407599999999,"C04327","4-Methyl-5-(2-phosphoethyl)thiazole;4-Methyl-5-(2-phosphono-oxyethyl)thiazole","C6H10NO4PS",223.0068,"M+H",3]
["Multiple",224.12882819999999,224.12807599999999,"C16704","Anhalonidine","C12H17NO3",223.1208,"M+H",3]
["Multiple",224.12882819999999,224.12807599999999,"C12058","Cerulenin","C12H17NO3",223.1208,"M+H",3]
["Multiple",224.12882819999999,224.12807599999999,"C13138","beta-Butoxyethyl nicotinate;Nicoboxil","C12H17NO3",223.1208,"M+H",3]
["Unique",224.9982105,224.998076,"C18832","Fenclorim","C10H6Cl2N2",223.99080000000001,"M+H",3]
["Multiple",225.061239,225.06187600000001,"C19272","Nifuradene;1-[(5-Nitrofurfurylidene)amino]-2-imidazolidinone","C8H8N4O4",224.05459999999999,"M+H",3]
["Multiple",225.14925769999999,225.14847599999999,"C11512","Methyl jasmonate;(-)-Methyl jasmonate","C13H20O3",224.1412,"M+H",3]
["Multiple",225.14925769999999,225.14847599999999,"C04166","(+/-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol","C13H20O3",224.1412,"M+H",3]
["Multiple",225.14925769999999,225.14847599999999,"C01760","(6S,9R)-Vomifoliol;(6S,9R)-6-Hydroxy-3-oxo-alpha-ionol","C13H20O3",224.1412,"M+H",3]
["Multiple",225.14925769999999,225.14847599999999,"C16318","(+)-7-Isomethyljasmonate","C13H20O3",224.1412,"M+H",3]
["Multiple",225.19683599999999,225.19617600000001,"C11358","D-(-)-Anaferine;(-)-Anaferine","C13H24N2O",224.18889999999999,"M+H",3]
["Multiple",225.19683599999999,225.19617600000001,"C06521","Cuscohygrine;Cuskhygrine","C13H24N2O",224.18889999999999,"M+H",3]
["Multiple",225.19683599999999,225.19617600000001,"C06183","L-(+)-Anaferine;Anapheline","C13H24N2O",224.18889999999999,"M+H",3]
["Unique",226.9522427,226.95087599999999,"C12835","2,5-Dichloro-4-oxohex-2-enedioate","C6H4Cl2O5",225.9436,"M+H",3]
["Multiple",227.0158611,227.015276,"C15397","6-(2-Chloroallylthio)purine","C8H7ClN4S",226.00800000000001,"M+H",3]
["Unique",227.20125289999999,227.20057600000001,"C08322","Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid","C14H26O2",226.19329999999999,"M+H",3]
["Unique",229.1418056,229.14347599999999,"C16308","Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid","C12H20O4",228.1362,"M+H",3]
["Unique",229.21688829999999,229.21617599999999,"C06424","Tetradecanoic acid;Tetradecanoate;Myristic acid","C14H28O2",228.2089,"M+H",3]
["Multiple",235.02706599999999,235.02867599999999,"C19349","1,4-Bis(chloromethoxymethyl)benzene","C10H12Cl2O2",234.0214,"M+H",3]
["Multiple",235.02706599999999,235.027976,"C16758","(E)-Ajoene","C9H14OS3",234.02070000000001,"M+H",3]
["Multiple",235.02706599999999,235.027976,"C16757","(Z)-Ajoene","C9H14OS3",234.02070000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C16949","Dehydrocurdione","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C20309","Artemisinate;Artemisinic acid","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C17491","13-Hydroxygermacrone","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C17492","Curcumenone","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C17609","Chrysantherol","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C17504","Sugeonol","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C09686","Hydroxyisopatchoulenone","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C20404","1-Deoxypentalenate","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C17090","alpha-Cyperone","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C17489","(4S,5S)-(+)-Germacrone 4,5-epoxide","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C09739","Tetradymol","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C09399","Drimenin","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C09677","Helminthosporal","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C09409","Eremophilenolide","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C09743","Valerenic acid","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C09721","Sclerosporin","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C16942","Curcumenol","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C09350","Bakkenolide A","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C09712","Polygodial","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C09376","Confertifolin","C15H22O2",234.16200000000001,"M+H",3]
["Multiple",235.17004069999999,235.169276,"C19678","Germacrene A acid;Germacra-1(10),4,11(13)-trien-12-oate","C15H22O2",234.16200000000001,"M+H",3]
["Unique",236.17342350000001,236.17577600000001,"C07401","Procainamide","C13H21N3O",235.16849999999999,"M+H",3]
["Unique",236.93944450000001,236.93927600000001,"C16249","2-Bromomaleylacetate","C6H5BrO5",235.93199999999999,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C09733","Sirenin","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C17493","Curdione","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C17604","Kikkanol B","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C16946","Cyperolone","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C16502","Farnesoic acid;trans,trans-Farnesoic acid","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C09627","Capsidiol","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C09700","Lubimin","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C02293","Latia luciferin","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C09678","Helminthosporol","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C09681","Hernandulcin","C15H24O2",236.17760000000001,"M+H",3]
["Unique",237.2220887,237.22127599999999,"C20128","Bombykal;(Z,E)-10,12-Hexadecadienal","C16H28O",236.214,"M+H",3]
["Unique",239.1285374,239.12777600000001,"C20199","3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate;9,17-Dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid;DOHNAA","C13H18O4",238.12049999999999,"M+H",3]
["Multiple",240.1002842,240.101876,"C14678","5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide","C15H13NO2",239.09460000000001,"M+H",3]
["Multiple",240.1002842,240.101876,"C14656","3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide","C15H13NO2",239.09460000000001,"M+H",3]
["Multiple",240.1002842,240.101876,"C03954","N-Hydroxy-2-acetamidofluorene","C15H13NO2",239.09460000000001,"M+H",3]
["Multiple",240.1002842,240.101876,"C14481","1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide","C15H13NO2",239.09460000000001,"M+H",3]
["Multiple",240.1002842,240.101876,"C14633","7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide","C15H13NO2",239.09460000000001,"M+H",3]
["Unique",241.216926,241.21617599999999,"C17676","Cryptomeridiol;Proximadiol","C15H28O2",240.2089,"M+H",3]
["Unique",243.03855239999999,243.037676,"C04111","3-(Phosphoacetylamido)-L-alanine","C5H11N2O7P",242.03039999999999,"M+H",3]
["Multiple",249.06166260000001,249.06347600000001,"C00647","Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5'-phosphate","C8H13N2O5P",248.05619999999999,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C02771","1,2-Dihydrosantonin;1,2-Dihydro-alpha-santonin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09537","Quadrone","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C13455","Abscisic aldehyde","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09626","Canellal;Muzigadial","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09562","Tomentosin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09507","Micheliolide","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09345","Artemorin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C07609","Parthenolide","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09534","Pseudoivalin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09660","Dehydrongaione","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C20400","1-Deoxy-11-oxopentalenate","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09440","Eupatolide","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09301","Artabsin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09488","Ivalin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09378","Confertin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C17887","Atractylenolide III","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09386","Damsin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09544","Santamarin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09687","Illudin M","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09556","Tamaulipin A","C15H20O3",248.1412,"M+H",3]
["Multiple",251.12869029999999,251.12777600000001,"C14468","Diisopropyl phthalate","C14H18O4",250.12049999999999,"M+H",3]
["Multiple",251.12869029999999,251.12777600000001,"C14469","Di-n-propylphthalate;Dipropyl phthalate","C14H18O4",250.12049999999999,"M+H",3]
["Multiple",251.13749659999999,251.13897600000001,"C17725","Heptabarbital","C13H18N2O3",250.1317,"M+H",3]
["Multiple",251.13749659999999,251.13897600000001,"C03002","N-Caffeoylputrescine","C13H18N2O3",250.1317,"M+H",3]
["Multiple",251.1650051,251.164176,"C07020","Gemfibrozil","C15H22O3",250.15690000000001,"M+H",3]
["Multiple",251.1650051,251.164176,"C09689","Ipomeamarone;(+)-Ngaione","C15H22O3",250.15690000000001,"M+H",3]
["Multiple",251.1650051,251.164176,"C20403","1-Deoxy-11beta-hydroxypentalenate","C15H22O3",250.15690000000001,"M+H",3]
["Multiple",251.1650051,251.164176,"C13453","Xanthoxin;2-cis,4-trans-Xanthoxin","C15H22O3",250.15690000000001,"M+H",3]
["Multiple",251.1650051,251.166876,"C05318","cis-N-Methyl-(S)-7,8,13,14-tetrahydroprotoberberine","C18H20N",250.15960000000001,"M+H",3]
["Multiple",251.1650051,251.164176,"C09748","Warburganal","C15H22O3",250.15690000000001,"M+H",3]
["Multiple",251.1650051,251.164176,"C09295","Arbusculin A","C15H22O3",250.15690000000001,"M+H",3]
["Multiple",251.1650051,251.164176,"C14716","2-Ethylhexyl-4-hydroxybenzoate","C15H22O3",250.15690000000001,"M+H",3]
["Multiple",251.1650051,251.164176,"C13456","Abscisic alcohol","C15H22O3",250.15690000000001,"M+H",3]
["Multiple",251.1650051,251.164176,"C20405","Pentalenate","C15H22O3",250.15690000000001,"M+H",3]
["Multiple",251.1650051,251.164176,"C09711","Piperdial","C15H22O3",250.15690000000001,"M+H",3]
["Unique",251.20138650000001,251.20057600000001,"C16503","Methyl farnesoate","C16H26O2",250.19329999999999,"M+H",3]
["Unique",253.21703450000001,253.21617599999999,"C16795","Hydnocarpic acid","C16H28O2",252.2089,"M+H",3]
["Unique",255.232629,255.231876,"C08362","(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid","C16H30O2",254.22460000000001,"M+H",3]
["Unique",257.14793409999999,257.14957600000002,"C20515","Pulcherriminic acid;2,5-Dihydroxy-3,6-bis(2-methylpropyl)pyrazine bis-N-oxide","C12H20N2O4",256.14229999999998,"M+H",3]
["Unique",257.24833419999999,257.24747600000001,"C00249","Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid","C16H32O2",256.24020000000002,"M+H",3]
["Unique",258.81841650000001,258.82037600000001,"C11091","Hexachloro-1,3-butadiene;HCBD;Hexachlorobutadiene","C4Cl6",257.81310000000002,"M+H",3]
["Unique",263.23761560000003,263.23697600000003,"C14245","4-Dodecylphenol","C18H30O",262.22969999999998,"M+H",3]
["Unique",264.85337320000002,264.85427600000003,"C02575","Pentachlorophenol;PCP","C6HCl5O",263.84699999999998,"M+H",3]
["Multiple",265.10535549999997,265.10707600000001,"C10427","1'-Acetoxyeugenol acetate","C14H16O5",264.09980000000002,"M+H",3]
["Multiple",265.11915470000002,265.11827599999998,"C05642","Formyl-N-acetyl-5-methoxykynurenamine","C13H16N2O4",264.11099999999999,"M+H",3]
["Multiple",265.11915470000002,265.11827599999998,"C04148","Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine","C13H16N2O4",264.11099999999999,"M+H",3]
["Multiple",265.18084850000002,265.179776,"C17747","5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone","C16H24O3",264.17250000000001,"M+H",3]
["Multiple",265.18084850000002,265.179776,"C09657","Dehydrojuvabione;(4R)-4-[(1R)-1,5-Dimethyl-3-oxo-4-hexenyl]-1-cyclohexene-1-carboxylic acid methyl ester","C16H24O3",264.17250000000001,"M+H",3]
["Multiple",267.19637039999998,267.19547599999999,"C09693","Juvabione","C16H26O3",266.18819999999999,"M+H",3]
["Multiple",267.19637039999998,267.19547599999999,"C09694","Juvenile hormone III","C16H26O3",266.18819999999999,"M+H",3]
["Multiple",267.19637039999998,267.19547599999999,"C04834","Juvenile hormone II acid;(2E,6E)-(10R,11S)-10,11-Epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid;(2E,6E)-(10R,11S)-10,11-Epoxy-3,7,11-trimethyltrideca-2,6-dienoate;(2E,6E)-10,11-Epoxy-3,7,11-trimethyltridecadienoic acid","C16H26O3",266.18819999999999,"M+H",3]
["Multiple",269.24831349999999,269.24747600000001,"C16536","9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid","C17H32O2",268.24020000000002,"M+H",3]
["Multiple",269.24831349999999,269.24747600000001,"C12100","omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid","C17H32O2",268.24020000000002,"M+H",3]
["Unique",271.18885790000002,271.19037600000001,"C16506","(10S)-Juvenile hormone III acid diol","C15H26O4",270.18310000000002,"M+H",3]
["Unique",271.22767800000003,271.22677599999997,"C19614","16-Oxo-palmitate","C16H30O3",270.21949999999998,"M+H",3]
["Unique",271.26397250000002,271.26317599999999,"C16995","Methyl palmitate","C17H34O2",270.2559,"M+H",3]
["Unique",275.1278145,275.12777599999998,"C10256","4,4'-Dihydroxy-3,5-dimethoxydihydrostilbene","C16H18O4",274.12049999999999,"M+H",3]
["Multiple",277.1806512,277.179776,"C17506","Sugeonyl acetate","C17H24O3",276.17250000000001,"M+H",3]
["Multiple",277.1806512,277.179776,"C10494","[6]-Shogaol;Shogaol","C17H24O3",276.17250000000001,"M+H",3]
["Multiple",277.1806512,277.179776,"C20000","Onchidal;[E,(+)]-2-[(E)-2-Acetoxyethenyl]-4-(2,2-dimethyl-6-methylenecyclohexyl)-2-butenal","C17H24O3",276.17250000000001,"M+H",3]
["Multiple",277.1806512,277.179776,"C09623","Buddledin A","C17H24O3",276.17250000000001,"M+H",3]
["Unique",278.1755819,278.17507599999999,"C18955","Promacyl","C16H23NO3",277.1678,"M+H",3]
["Multiple",279.15990909999999,279.15907600000003,"C03343","2-Ethylhexyl phthalate","C16H22O4",278.15179999999998,"M+H",3]
["Multiple",279.15990909999999,279.15907600000003,"C14214","Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 1,2-benzenedicarboxylate","C16H22O4",278.15179999999998,"M+H",3]
["Multiple",279.15990909999999,279.15907600000003,"C15205","Diisobutyl phthalate;DIBP","C16H22O4",278.15179999999998,"M+H",3]
["Multiple",280.16330679999999,280.16557599999999,"C07341","Oxamniquine","C14H21N3O3",279.1583,"M+H",3]
["Multiple",280.16330679999999,280.16557599999999,"C18433","Karbutilate","C14H21N3O3",279.1583,"M+H",3]
["Multiple",281.24832020000002,281.24747600000001,"C08459","Stearolic acid;9-Stearolic acid","C18H32O2",280.24020000000002,"M+H",3]
["Multiple",281.24832020000002,281.24747600000001,"C04056","9-cis,11-trans-Octadecadienoate;(9Z,11E)-Octadecadienoic acid","C18H32O2",280.24020000000002,"M+H",3]
["Multiple",281.24832020000002,281.24747600000001,"C01595","Linoleate;Linoleic acid;(9Z,12Z)-Octadecadienoic acid;9-cis,12-cis-Octadecadienoate;9-cis,12-cis-Octadecadienoic acid","C18H32O2",280.24020000000002,"M+H",3]
["Multiple",281.24832020000002,281.24747600000001,"C08321","Malvalic acid","C18H32O2",280.24020000000002,"M+H",3]
["Multiple",281.24832020000002,281.24747600000001,"C08282","Chaulmoogric acid","C18H32O2",280.24020000000002,"M+H",3]
["Unique",282.13145889999998,282.13357600000001,"C10150","Harzianopyridone","C14H19NO5",281.12630000000001,"M+H",3]
["Unique",283.2265582,283.22677599999997,"C15465","6-Oxabicyclo[3.1.0]hexane-2-undecanoic acid methyl ester","C17H30O3",282.21949999999998,"M+H",3]
["Multiple",283.26387039999997,283.26317599999999,"C08363","(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid","C18H34O2",282.2559,"M+H",3]
["Multiple",283.26387039999997,283.26317599999999,"C08367","(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid","C18H34O2",282.2559,"M+H",3]
["Multiple",283.26387039999997,283.26317599999999,"C12103","omega-Cycloheptylundecanoic acid","C18H34O2",282.2559,"M+H",3]
["Multiple",283.26387039999997,283.26317599999999,"C01712","(9E)-Octadecenoic acid;9-Octadecenoic acid, (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure","C18H34O2",282.2559,"M+H",3]
["Multiple",283.26387039999997,283.26317599999999,"C00712","(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid","C18H34O2",282.2559,"M+H",3]
["Unique",284.96201489999999,284.96117600000002,"C14445","Tris(2-chloroethyl)phosphate","C6H12Cl3O4P",283.95389999999998,"M+H",3]
["Multiple",285.27963749999998,285.27877599999999,"C20356","Isooctadecanoic acid;Isostearic acid","C18H36O2",284.2715,"M+H",3]
["Multiple",285.27963749999998,285.27877599999999,"C01530","Octadecanoic acid;Stearate;Stearic acid","C18H36O2",284.2715,"M+H",3]
["Multiple",287.12772669999998,287.12777599999998,"C10526","(-)-Sativan","C17H18O4",286.12049999999999,"M+H",3]
["Multiple",287.12772669999998,287.12777599999998,"C14294","Diphenolic acid;4,4-Bis(4-hydroxyphenyl)pentanoic acid","C17H18O4",286.12049999999999,"M+H",3]
["Multiple",287.12772669999998,287.12777599999998,"C09646","7,3'-Dihydroxy-4'-methoxy-8-methylflavan","C17H18O4",286.12049999999999,"M+H",3]
["Multiple",287.12772669999998,287.128176,"C14251","1,3-Diphenyltetramethyldisiloxane;1,1,3,3-Tetramethyl-1,3-diphenyldisiloxane","C16H22OSi2",286.12090000000001,"M+H",3]
["Multiple",287.12772669999998,287.12777599999998,"C20133","Sugiresinol;Sequirin A","C17H18O4",286.12049999999999,"M+H",3]
["Unique",288.13508739999997,288.134276,"C13796","SR95531","C15H17N3O3",287.12700000000001,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C11782","Dihydromorphine","C17H21NO3",287.15210000000002,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C07239","Ritodrine","C17H21NO3",287.15210000000002,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C08526","Galanthamine;Galantamine","C17H21NO3",287.15210000000002,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C09223","Mesembrenone","C17H21NO3",287.15210000000002,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C12195","Zephyramine","C17H21NO3",287.15210000000002,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C06991","Etodolac","C17H21NO3",287.15210000000002,"M+H",3]
["Unique",288.89196989999999,288.89347600000002,"C18450","Propineb","C5H8N2S4. Zn",287.88619999999997,"M+H",3]
["Multiple",289.14339319999999,289.14437600000002,"C11166","SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate","C12H25O4S. Na",288.13709999999998,"M+H",3]
["Multiple",289.14339319999999,289.14347600000002,"C09942","Karwinaphthol B","C17H20O4",288.13619999999997,"M+H",3]
["Unique",290.15149450000001,290.14987600000001,"C18865","Imazethapyr","C15H19N3O3",289.14260000000002,"M+H",3]
["Unique",292.1640921,292.16557599999999,"C09176","Eseridine","C15H21N3O3",291.1583,"M+H",3]
["Unique",295.02990160000002,295.02867600000002,"C14237","4-[2,2-Dichloro-1-(4-methoxyphenyl)ethenyl]phenol;Monohydroxymethoxychlor olefin","C15H12Cl2O2",294.02140000000003,"M+H",3]
["Multiple",297.14887169999997,297.14847600000002,"C10285","4-Prenylresveratrol","C19H20O3",296.14120000000003,"M+H",3]
["Multiple",297.24313649999999,297.24237599999998,"C08368","Vernolic acid;(9Z)-(12S,13R)-12,13-Epoxyoctadecenoic acid;cis-12,13-Epoxy-cis-9-octadecenoic acid","C18H32O3",296.23509999999999,"M+H",3]
["Multiple",297.24313649999999,297.24237599999998,"C14762","13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z,11E)-(13S)-13-Hydroxyoctadeca-9,11-dienoic acid","C18H32O3",296.23509999999999,"M+H",3]
["Multiple",297.24313649999999,297.24237599999998,"C14767","9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E,12Z)-(9S)-9-Hydroxyoctadeca-10,12-dienoic acid","C18H32O3",296.23509999999999,"M+H",3]
["Multiple",297.24313649999999,297.24237599999998,"C14826","12(13)-EpOME;(12R,13S)-(9Z)-12,13-Epoxyoctadecenoic acid","C18H32O3",296.23509999999999,"M+H",3]
["Multiple",297.24313649999999,297.24237599999998,"C19617","18-Oxooleate","C18H32O3",296.23509999999999,"M+H",3]
["Multiple",297.24313649999999,297.24237599999998,"C14825","9(10)-EpOME;(9R,10S)-(12Z)-9,10-Epoxyoctadecenoic acid","C18H32O3",296.23509999999999,"M+H",3]
["Multiple",297.24313649999999,297.24237599999998,"C08318","(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid","C18H32O3",296.23509999999999,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C15087","3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C06172","Neopinone","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C06175","Oripavine","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C09340","(-)-Apoglaziovine","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C09457","Glaziovine","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C06171","Codeinone;(5alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-one","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C17077","Tuduranine","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",299.1108352,299.11147599999998,"C01961","Thalassemine;L-Thalassemine","C8H19N4O6P",298.10419999999999,"M+H",3]
["Multiple",299.1108352,299.11257599999999,"C10720","Picein","C14H18O7",298.1053,"M+H",3]
["Multiple",299.1272366,299.12777599999998,"C07332","Dibenzylsuccinate","C18H18O4",298.12049999999999,"M+H",3]
["Multiple",299.1272366,299.12777599999998,"C18165","Enterolactone","C18H18O4",298.12049999999999,"M+H",3]
["Multiple",299.2586847,299.25807600000002,"C08365","Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid","C18H34O3",298.25080000000003,"M+H",3]
["Multiple",299.2586847,299.25807600000002,"C13791","(6R,7S)-6,7-Epoxyoctadecanoic acid;6R,7S-Epoxy-octadecanoic acid;6R,7S-Epoxy-octadecanoate","C18H34O3",298.25080000000003,"M+H",3]
["Multiple",299.2586847,299.25807600000002,"C19616","18-Hydroxyoleate","C18H34O3",298.25080000000003,"M+H",3]
["Multiple",299.2586847,299.25807600000002,"C19418","cis-9,10-Epoxystearic acid","C18H34O3",298.25080000000003,"M+H",3]
["Multiple",299.2586847,299.25807600000002,"C00869","2-Oxooctadecanoic acid;2-Oxostearate","C18H34O3",298.25080000000003,"M+H",3]
["Multiple",299.29531980000002,299.29447599999997,"C16794","Tuberculostearic acid","C19H38O2",298.28719999999998,"M+H",3]
["Multiple",299.29531980000002,299.29447599999997,"C16535","Nonadecanoic acid;Nonadecylic acid","C19H38O2",298.28719999999998,"M+H",3]
["Multiple",301.1422705,301.14347600000002,"C14739","alpha,alpha'-Diethyl-3,4,3',4'-stilbenetetraol;3,4,3',4'-Tetrahydroxy-alpha,alpha'-diethylstilbene","C18H20O4",300.13619999999997,"M+H",3]
["Multiple",301.1422705,301.14347600000002,"C08981","Toxyl angelate","C18H20O4",300.13619999999997,"M+H",3]
["Multiple",301.1422705,301.14347600000002,"C20431","(+)-3'-Hydroxylarreatricin","C18H20O4",300.13619999999997,"M+H",3]
["Unique",302.17664400000001,302.17507599999999,"C06967","Dobutamine","C18H23NO3",301.1678,"M+H",3]
["Multiple",306.24332129999999,306.24277599999999,"C15281","17beta-Nitro-5alpha-androstane","C19H31NO2",305.2355,"M+H",3]
["Multiple",306.24332129999999,306.24277599999999,"C19950","Samandarine","C19H31NO2",305.2355,"M+H",3]
["Multiple",309.13089200000002,309.13327600000002,"C08483","14-Dihydroxycornestin;Cornexistin","C16H20O6",308.12599999999998,"M+H",3]
["Multiple",309.13089200000002,309.13327600000002,"C09953","Monocerin","C16H20O6",308.12599999999998,"M+H",3]
["Unique",310.1627014,310.16487599999999,"C10304","Fulvine","C16H23NO5",309.1576,"M+H",3]
["Multiple",313.1435505,313.14347600000002,"C09136","Montanin A","C19H20O4",312.13619999999997,"M+H",3]
["Multiple",313.1435505,313.14347600000002,"C14935","m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid","C19H20O4",312.13619999999997,"M+H",3]
["Multiple",313.1435505,313.14347600000002,"C14211","Butylbenzyl phthalate;Butyl phenylmethyl 1,2-benzenedicarboxylate","C19H20O4",312.13619999999997,"M+H",3]
["Multiple",313.1435505,313.14347600000002,"C10283","4'-Prenyloxyresveratrol","C19H20O4",312.13619999999997,"M+H",3]
["Multiple",313.17895679999998,313.179776,"C09524","Broussonin C","C20H24O3",312.17250000000001,"M+H",3]
["Multiple",313.17895679999998,313.179776,"C20211","Yakuchinone A;Yakuchinone-A","C20H24O3",312.17250000000001,"M+H",3]
["Multiple",313.17895679999998,313.179776,"C10436","Centrolobine","C20H24O3",312.17250000000001,"M+H",3]
["Multiple",313.17895679999998,313.179776,"C09120","Jatrophone","C20H24O3",312.17250000000001,"M+H",3]
["Multiple",313.2367423,313.23737599999998,"C14834","9,10-Epoxy-13-hydroxy-11-octadecenoate;(11E)-9,10-Epoxyoctadecenoic acid","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",313.2367423,313.23737599999998,"C14827","9(S)-HPODE;9(S)-HPOD;(10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid;(9S,10E,12Z)-9-Hydroperoxy-10,12-octadecadienoate","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",313.2367423,313.23737599999998,"C14836","9,10-12,13-Diepoxyoctadecanoate;9,10-12,13-Diepoxyoctadecanoic acid","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",313.2367423,313.23737599999998,"C07338","(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid;(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoate","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",313.2367423,313.23737599999998,"C14831","8(R)-HPODE;(9Z,12Z)-(8R)-8-Hydroperoxyoctadeca-9,12-dienoic acid;(8R,9Z,12Z)-8-Hydroperoxyoctadeca-9,12-dienoate","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",313.2367423,313.23737599999998,"C20703","(8E,10S,12Z)-10-Hydroperoxyoctadeca-8,12-dienoate","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",313.2367423,313.23737599999998,"C20186","5S,8R-DiHODE;(5S,8R)-DiHODE;(5S,8R,9Z,12Z)-5,8-Dihydroxyoctadeca-9,12-dienoate","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",313.2367423,313.23737599999998,"C07354","(7S,8S)-DiHODE;(9Z,12Z)-(7S,8S)-Dihydroxyoctadeca-9,12-dienoic acid;(7S,8S,9Z,12Z)-7,8-Dihydroxyoctadeca-9,12-dienoate","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",313.2367423,313.23737599999998,"C19618","Octadec-9-ene-1,18-dioic-acid","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",313.2367423,313.23737599999998,"C19937","(8E,10R,12Z)-10-Hydroperoxy-8,12-octadecadienoate","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",313.2367423,313.23737599999998,"C14832","12,13-Epoxy-9-hydroxy-10-octadecenoate;12(R),13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S,12R,13S)-12,13-Epoxy-9-hydroxyoctadec-10-enoic acid","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",313.2367423,313.23737599999998,"C04717","(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid;(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z,11E-octadecadienoic acid","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",313.2385074,313.23737599999998,"C14831","8(R)-HPODE;(9Z,12Z)-(8R)-8-Hydroperoxyoctadeca-9,12-dienoic acid;(8R,9Z,12Z)-8-Hydroperoxyoctadeca-9,12-dienoate","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",313.2385074,313.23737599999998,"C07338","(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid;(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoate","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",313.2385074,313.23737599999998,"C20703","(8E,10S,12Z)-10-Hydroperoxyoctadeca-8,12-dienoate","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",313.2385074,313.23737599999998,"C14827","9(S)-HPODE;9(S)-HPOD;(10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid;(9S,10E,12Z)-9-Hydroperoxy-10,12-octadecadienoate","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",313.2385074,313.23737599999998,"C14832","12,13-Epoxy-9-hydroxy-10-octadecenoate;12(R),13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S,12R,13S)-12,13-Epoxy-9-hydroxyoctadec-10-enoic acid","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",313.2385074,313.23737599999998,"C14834","9,10-Epoxy-13-hydroxy-11-octadecenoate;(11E)-9,10-Epoxyoctadecenoic acid","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",313.2385074,313.23737599999998,"C04717","(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid;(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z,11E-octadecadienoic acid","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",313.2385074,313.23737599999998,"C20186","5S,8R-DiHODE;(5S,8R)-DiHODE;(5S,8R,9Z,12Z)-5,8-Dihydroxyoctadeca-9,12-dienoate","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",313.2385074,313.23737599999998,"C07354","(7S,8S)-DiHODE;(9Z,12Z)-(7S,8S)-Dihydroxyoctadeca-9,12-dienoic acid;(7S,8S,9Z,12Z)-7,8-Dihydroxyoctadeca-9,12-dienoate","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",313.2385074,313.23737599999998,"C19618","Octadec-9-ene-1,18-dioic-acid","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",313.2385074,313.23737599999998,"C19937","(8E,10R,12Z)-10-Hydroperoxy-8,12-octadecadienoate","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",313.2385074,313.23737599999998,"C14836","9,10-12,13-Diepoxyoctadecanoate;9,10-12,13-Diepoxyoctadecanoic acid","C18H32O4",312.23009999999999,"M+H",3]
["Multiple",315.25510259999999,315.25297599999999,"C14829","12,13-DHOME;12,13-DHOA;(9Z)-12,13-Dihydroxyoctadec-9-enoic acid","C18H34O4",314.2457,"M+H",3]
["Multiple",315.25510259999999,315.25297599999999,"C07355","(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid;(Z)-(7S,8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S,8S)-Dihydroxyoctadeca-9-enoate","C18H34O4",314.2457,"M+H",3]
["Multiple",315.25510259999999,315.25297599999999,"C19620","9,10-Epoxy-18-hydroxystearate","C18H34O4",314.2457,"M+H",3]
["Multiple",315.25510259999999,315.25297599999999,"C20702","(8E,10S)-10-Hydroperoxyoctadeca-8-enoate;(8E,10S)-10-Hydroperoxy-8-octadecenoate","C18H34O4",314.2457,"M+H",3]
["Multiple",315.25510259999999,315.25297599999999,"C14828","9,10-DHOME;9,10-DHOA;(12Z)-9,10-Dihydroxyoctadec-12-enoic acid","C18H34O4",314.2457,"M+H",3]
["Multiple",317.16212539999998,317.164176,"C18776","Bupirimate","C13H24N4O3S",316.15690000000001,"M+H",3]
["Multiple",317.16212539999998,317.164176,"C07141","Timolol","C13H24N4O3S",316.15690000000001,"M+H",3]
["Multiple",317.16212539999998,317.16217599999999,"C10732","O-Methylptelefolonium","C18H22NO4",316.1549,"M+H",3]
["Unique",327.00881190000001,327.00647600000002,"C19077","Fenuron-TCA;Fenuron TCA","C9H13N2O. C2Cl3O2",325.99919999999997,"M+H",3]
["Unique",327.29006700000002,327.289376,"C02117","2-Oxophytanate;2-Oxophytanic acid","C20H38O3",326.28210000000001,"M+H",3]
["Unique",328.0121881,328.01377600000001,"C07637","Diloxanide furoate","C14H11Cl2NO4",327.00650000000002,"M+H",3]
["Multiple",331.00279510000001,331.00047599999999,"C18964","Athidathion","C8H15N2O4PS3",329.9932,"M+H",3]
["Multiple",331.00279510000001,331.00537600000001,"C14389","1,1,1-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor","C15H13Cl3O2",329.99810000000002,"M+H",3]
["Unique",332.0061829,332.00867599999998,"C10979","Chlozolinate;Dichlozolinate","C13H11Cl2NO5",331.00139999999999,"M+H",3]
["Unique",333.11577030000001,333.11467599999997,"C02087","Tos-Arg-CH2Cl","C13H21ClN4O2S",332.10739999999998,"M+H",3]
["Multiple",335.12600850000001,335.12717600000002,"C08200","Neostigmine methylsulfate","C12H19N2O2. CH3SO4",334.11989999999997,"M+H",3]
["Multiple",338.12327260000001,338.12347599999998,"C03868","Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol","C16H19NO7",337.11619999999999,"M+H",3]
["Multiple",338.12327260000001,338.12347599999998,"C04197","Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose","C16H19NO7",337.11619999999999,"M+H",3]
["Unique",341.30581869999997,341.30497600000001,"C19427","Glycidyl stearate","C21H40O3",340.29770000000002,"M+H",3]
["Multiple",346.1089581,346.10677600000002,"C19064","Nitralin","C13H19N3O6S",345.09949999999998,"M+H",3]
["Unique",349.18422600000002,349.185676,"C17638","Schizonepetoside E","C16H28O8",348.17840000000001,"M+H",3]
["Unique",354.19442859999998,354.19107600000001,"C10380","Rosmarinine;Senecionan-11,16-dione, 1,2-dihydro-2,12-dihydroxy-, (1alpha,2alpha)-","C18H27NO6",353.18380000000002,"M+H",3]
["Multiple",354.89510289999998,354.89157599999999,"C07967","Bithionol","C12H6Cl4O2S",353.8843,"M+H",3]
["Multiple",354.89510289999998,354.89157599999999,"C18451","Tetradifon","C12H6Cl4O2S",353.8843,"M+H",3]
["Multiple",360.1251595,360.12307600000003,"C10584","Crinasiatine","C22H17NO4",359.11579999999998,"M+H",3]
["Multiple",360.1251595,360.12237599999997,"C06564","Penicillin N;Adicillin","C14H21N3O6S",359.11509999999998,"M+H",3]
["Multiple",360.1251595,360.12237599999997,"C05557","Isopenicillin N","C14H21N3O6S",359.11509999999998,"M+H",3]
["Unique",360.9689305,360.96747599999998,"C19088","Monuron-TCA;Monuron TCA","C9H11ClN2O. C2HCl3O2",359.96019999999999,"M+H",3]
["Unique",363.19972100000001,363.19657599999999,"C15309","17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione;17,21-Epoxy-9-fluoro-11beta-hydroxyprogesterone","C21H27FO4",362.1893,"M+H",3]
["Multiple",367.17551639999999,367.17777599999999,"C17790","Dehydrocorydaline","C22H24NO4",366.1705,"M+H",3]
["Multiple",367.17551639999999,367.17517600000002,"C09521","Orizabin","C19H26O7",366.16789999999997,"M+H",3]
["Multiple",367.17551639999999,367.17517600000002,"C09662","Diacetoxyscirpenol","C19H26O7",366.16789999999997,"M+H",3]
["Unique",367.99248060000002,367.99417599999998,"C11028","Phosalone;Agria 1060 A","C12H15ClNO4PS2",366.98689999999999,"M+H",3]
["Multiple",371.31661400000002,371.31557600000002,"C14240","Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate","C22H42O4",370.30829999999997,"M+H",3]
["Multiple",371.31661400000002,371.31557600000002,"C19625","Docosanedioate","C22H42O4",370.30829999999997,"M+H",3]
["Multiple",374.20867800000002,374.211476,"C16549","alpha-Hydroxy-N-desmethyltamoxifen","C25H27NO2",373.20420000000001,"M+H",3]
["Multiple",374.20867800000002,374.211476,"C16547","Endoxifen;4-Hydroxy-N-desmethyltamoxifen","C25H27NO2",373.20420000000001,"M+H",3]
["Multiple",377.2148894,377.21447599999999,"C14973","17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate","C22H32O3S",376.2072,"M+H",3]
["Multiple",377.2148894,377.21227599999997,"C15329","21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione","C22H29FO4",376.20499999999998,"M+H",3]
["Multiple",379.28318869999998,379.28427599999998,"C13857","1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol","C23H38O4",378.27699999999999,"M+H",3]
["Multiple",379.28318869999998,379.28427599999998,"C13856","2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG","C23H38O4",378.27699999999999,"M+H",3]
["Unique",381.21796810000001,381.22067600000003,"C18416","Carbosulfan","C20H32N2O3S",380.21339999999998,"M+H",3]
["Multiple",383.33177990000002,383.33087599999999,"C05107","7-Dehydrodesmosterol;Cholesta-5,7,24-triene-3beta-ol","C27H42O",382.3236,"M+H",3]
["Multiple",383.33177990000002,383.33087599999999,"C15357","Cholesta-3,5-dien-7-one","C27H42O",382.3236,"M+H",3]
["Multiple",391.2847271,391.28427599999998,"C11637","3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate","C24H38O4",390.27699999999999,"M+H",3]
["Multiple",391.2847271,391.28427599999998,"C03690","Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP","C24H38O4",390.27699999999999,"M+H",3]
["Multiple",391.2847271,391.28427599999998,"C14577","Diisooctyl phthalate","C24H38O4",390.27699999999999,"M+H",3]
["Multiple",391.2847271,391.28427599999998,"C14227","Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 1,2-benzenedicarboxylate","C24H38O4",390.27699999999999,"M+H",3]
["Multiple",391.2847271,391.28427599999998,"C15375","Apocholic acid;3alpha,12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid","C24H38O4",390.27699999999999,"M+H",3]
["Multiple",393.29810629999997,393.29997600000002,"C17662","Isoursodeoxycholate;Isoursodeoxycholic acid;3beta,7beta-Dihydroxy-5beta-cholanoic acid;3beta,7beta-Dihydroxy-5beta-cholan-24-oic acid","C24H40O4",392.29270000000002,"M+H",3]
["Multiple",393.29810629999997,393.29997600000002,"C04483","Deoxycholic acid;Deoxycholate;3alpha,12alpha-Dihydroxy-5beta-cholanate;3alpha,12alpha-Dihydroxy-5beta-cholanic acid","C24H40O4",392.29270000000002,"M+H",3]
["Multiple",393.29810629999997,393.29997600000002,"C17646","12-Epideoxycholic acid;12-Epideoxycholate","C24H40O4",392.29270000000002,"M+H",3]
["Multiple",393.29810629999997,393.29997600000002,"C17660","Isochenodeoxycholate;Isochenodeoxycholic acid;3beta,7alpha-Dihydroxy-5beta-cholanic acid","C24H40O4",392.29270000000002,"M+H",3]
["Multiple",393.29810629999997,393.29997600000002,"C07880","Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha,7beta-Dihydroxy-5beta-cholan-24-oic acid","C24H40O4",392.29270000000002,"M+H",3]
["Multiple",393.29810629999997,393.29997600000002,"C17661","Isodeoxycholate;Isodeoxycholic acid;7alpha,12alpha-Dihydroxy-5beta-cholanic acid;7alpha,12alpha-Dihydroxycholanoic acid","C24H40O4",392.29270000000002,"M+H",3]
["Multiple",393.29810629999997,393.29997600000002,"C17687","Allodeoxycholate;5alpha-Deoxycholic acid;3alpha,12alpha-Dihydroxy-5alpha-cholanoic acid","C24H40O4",392.29270000000002,"M+H",3]
["Multiple",393.29810629999997,393.29997600000002,"C15517","Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha,6alpha-Dihydroxy-5beta-cholanic acid","C24H40O4",392.29270000000002,"M+H",3]
["Multiple",393.29810629999997,393.29997600000002,"C15515","Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha,6beta-Dihydroxy-5beta-cholanic acid","C24H40O4",392.29270000000002,"M+H",3]
["Multiple",393.29810629999997,393.29997600000002,"C02528","Chenodeoxycholate;Chenodeoxycholic acid;3alpha,7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol","C24H40O4",392.29270000000002,"M+H",3]
["Multiple",393.29810629999997,393.29997600000002,"C17664","Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha,7alpha-Dihydroxy-5alpha-cholanoic acid","C24H40O4",392.29270000000002,"M+H",3]
["Unique",398.34123469999997,398.34177599999998,"C06543","Solanidine","C27H43NO",397.33449999999999,"M+H",3]
["Multiple",399.25143630000002,399.25297599999999,"C15046","Pregna-5,16,20-triene-3beta,20-diol diacetate","C25H34O4",398.2457,"M+H",3]
["Multiple",399.25143630000002,399.25297599999999,"C14947","17-Propylestra-1,3,5(10)-triene-3,17beta-diol diacetate","C25H34O4",398.2457,"M+H",3]
["Multiple",399.25143630000002,399.25057600000002,"C14446","Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate","C18H39O7P",398.24329999999998,"M+H",3]
["Unique",399.34779279999998,399.34687600000001,"C19438","Lauroyl peroxide;Dilauroyl peroxide","C24H46O4",398.33960000000002,"M+H",3]
["Unique",400.33866010000003,400.34217599999999,"C02990","L-Palmitoylcarnitine","C23H45NO4",399.3349,"M+H",3]
["Unique",400.34287890000002,400.34217599999999,"C02990","L-Palmitoylcarnitine","C23H45NO4",399.3349,"M+H",3]
["Multiple",401.34285970000002,401.34137600000003,"C20143","26-Hydroxycholest-4-en-3-one","C27H44O2",400.33409999999998,"M+H",3]
["Multiple",401.34285970000002,401.34137600000003,"C05455","7alpha-Hydroxycholest-4-en-3-one","C27H44O2",400.33409999999998,"M+H",3]
["Multiple",401.34285970000002,401.34137600000003,"C19662","Spirostan","C27H44O2",400.33409999999998,"M+H",3]
["Multiple",401.34285970000002,401.34137600000003,"C15632","24(S),25-Epoxycholesterol","C27H44O2",400.33409999999998,"M+H",3]
["Multiple",401.34285970000002,401.34137600000003,"C01561","Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous","C27H44O2",400.33409999999998,"M+H",3]
["Unique",412.23640160000002,412.23297600000001,"C10341","Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine","C21H33NO7",411.22570000000002,"M+H",3]
["Unique",417.24479179999997,417.24827599999998,"C17864","Atractyloside G","C21H36O8",416.24099999999999,"M+H",3]
["Unique",419.31662039999998,419.31557600000002,"C15221","Diisononyl phthalate","C26H42O4",418.30829999999997,"M+H",3]
["Multiple",421.32979260000002,421.331276,"C15636","6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid","C26H44O4",420.32400000000001,"M+H",3]
["Unique",426.24062579999998,426.24277599999999,"C14212","Nafoxidine","C29H31NO2",425.2355,"M+H",3]
["Multiple",429.24113499999999,429.23977600000001,"C07469","Irbesartan","C25H28N6O",428.23250000000002,"M+H",3]
["Multiple",429.24113499999999,429.23837600000002,"C09038","Aspidoalbine","C24H32N2O5",428.23110000000003,"M+H",3]
["Unique",461.27325539999998,461.26867600000003,"C08719","Sophoranone","C30H36O4",460.26139999999998,"M+H",3]
["Unique",468.31080270000001,468.31087600000001,"C08007","Buprenorphine","C29H41NO4",467.30360000000002,"M+H",3]
["Multiple",479.28572700000001,479.29047600000001,"C17411","o-Methylpsychotrine;1',2'-Dehydroemetin","C29H38N2O4",478.28320000000002,"M+H",3]
["Multiple",479.28572700000001,479.29047600000001,"C07996","Dehydroemetine","C29H38N2O4",478.28320000000002,"M+H",3]
["Multiple",481.34977959999998,481.35237599999999,"C19873","26-Hydroxycastasterone","C28H48O6",480.3451,"M+H",3]
["Multiple",481.34977959999998,481.35237599999999,"C08814","Brassinolide","C28H48O6",480.3451,"M+H",3]
["Multiple",481.34977959999998,481.35237599999999,"C11049","24-epi-Brassinolide","C28H48O6",480.3451,"M+H",3]
["Unique",482.36158130000001,482.36047600000001,"C13903","1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine","C24H52NO6P",481.35320000000002,"M+H",3]
["Unique",483.36679170000002,483.36217599999998,"C19892","4'-Apo-beta,psi-caroten-4'-al;beta-Apo-4'-carotenal","C35H46O",482.35489999999999,"M+H",3]
["Unique",484.26052670000001,484.26127600000001,"C00825","Kanamycin B;Bekanamycin;Nebramycin factor 5","C18H37N5O10",483.25400000000002,"M+H",3]
["Multiple",495.32936619999998,495.33167600000002,"C08829","Makisterone B","C28H46O7",494.32440000000003,"M+H",3]
["Multiple",495.32936619999998,495.33167600000002,"C16874","Makisterone A","C28H46O7",494.32440000000003,"M+H",3]
["Multiple",497.34593949999999,497.34727600000002,"C11051","26-Hydroxy-24-epi-brassinolide","C28H48O7",496.34,"M+H",3]
["Multiple",497.34593949999999,497.347576,"C04102","1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine","C24H51NO7P",496.34030000000001,"M+H",3]
["Multiple",497.34593949999999,497.34727600000002,"C19874","26-Hydroxybrassinolide","C28H48O7",496.34,"M+H",3]
["Multiple",497.34593949999999,497.34727600000002,"C11050","25-Hydroxy-24-epi-brassinolide","C28H48O7",496.34,"M+H",3]
["Multiple",502.29362190000001,502.29517600000003,"C06999","Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetic acid","C32H39NO4",501.28789999999998,"M+H",3]
["Multiple",502.29362190000001,502.29517600000003,"C20555","Aflatrem","C32H39NO4",501.28789999999998,"M+H",3]
["Multiple",516.30943579999996,516.30847600000004,"C05683","2-Aminoethylphosphocholate","C26H46NO7P",515.30119999999999,"M+H",3]
["Unique",523.36164959999996,523.36327600000004,"C03916","1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine","C26H53NO7P",522.35599999999999,"M+H",3]
["Multiple",524.98187419999999,524.98197600000003,"C00700","XTP;Xanthosine 5'-triphosphate","C10H15N4O15P3",523.97469999999998,"M+H",3]
["Multiple",555.29722879999997,555.29527599999994,"C09916","Acrovestone","C32H42O8",554.28800000000001,"M+H",3]
["Multiple",555.29722879999997,555.29657599999996,"C10006","Integerressine","C33H38N4O4",554.28930000000003,"M+H",3]
["Unique",560.63787890000003,560.63297599999999,"C18203","2,2',4,4',5-Pentabromodiphenyl ether;PBDE 99;BDE 99","C12H5Br5O",559.62570000000005,"M+H",3]
["Unique",568.34272539999995,568.34217599999999,"C20596","Penitrem D","C37H45NO4",567.33489999999995,"M+H",3]
["Unique",569.34431310000002,569.34727599999997,"C11977","6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone","C34H48O7",568.34,"M+H",3]
["Unique",570.35662850000006,570.35777599999994,"C20601","Janthitrem C","C37H47NO4",569.35050000000001,"M+H",3]
["Unique",842.39617720000001,842.39637600000003,"C13891","1,2-Didodecanoyl-sn-glycero-3-cytidine-5'-diphosphate","C36H65N3O15P2",841.38909999999998,"M+H",3]
["Multiple",85.028651960000005,85.028375999999994,"C17601","2(5H)-Furanone;gamma-Crotonolactone;Butenolide","C4H4O2",84.021100000000004,"M+H",3]
["Multiple",85.028651960000005,85.028375999999994,"C06144","3-Butynoate;But-3-ynoate","C4H4O2",84.021100000000004,"M+H",3]
["Multiple",85.028651960000005,85.028375999999994,"C17602","2(3H)-Furanone;alpha-Crotonolactone","C4H4O2",84.021100000000004,"M+H",3]
["Multiple",85.028651960000005,85.028375999999994,"C02648","4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal","C4H4O2",84.021100000000004,"M+H",3]
["Multiple",85.065073589999997,85.064775999999995,"C07330","3-Methyl-2-butenal;3-Methylbut-2-enal;3,3-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal","C5H8O",84.057500000000005,"M+H",3]
["Multiple",85.065073589999997,85.064775999999995,"C00557","Cyclopentanone","C5H8O",84.057500000000005,"M+H",3]
["Multiple",85.065073589999997,85.064775999999995,"C15604","Prenal","C5H8O",84.057500000000005,"M+H",3]
["Unique",85.101433970000002,85.101175999999995,"C11249","Cyclohexane","C6H12",84.093900000000005,"M+H",3]
["Multiple",86.096669469999995,86.096376000000006,"C01746","Piperidine;Azacyclohexane;Hexahydropyridine","C5H11N",85.089100000000002,"M+H",3]
["Multiple",86.096669469999995,86.096376000000006,"C20809","(R)-2-Methylpyrrolidine","C5H11N",85.089100000000002,"M+H",3]
["Multiple",87.044334640000002,87.044076000000004,"C19201","beta-Butyrolactone","C4H6O2",86.036799999999999,"M+H",3]
["Multiple",87.044334640000002,87.044076000000004,"C19443","Methyl acrylate","C4H6O2",86.036799999999999,"M+H",3]
["Multiple",87.044334640000002,87.044076000000004,"C19309","Vinyl acetate","C4H6O2",86.036799999999999,"M+H",3]
["Multiple",87.044334640000002,87.044076000000004,"C01770","gamma-Butyrolactone;1,4-Lactone","C4H6O2",86.036799999999999,"M+H",3]
["Multiple",87.044334640000002,87.044076000000004,"C16835","Succinic aldehyde;Succindialdehyde","C4H6O2",86.036799999999999,"M+H",3]
["Multiple",87.044334640000002,87.044076000000004,"C16267","Cyclopropanecarboxylate","C4H6O2",86.036799999999999,"M+H",3]
["Multiple",87.044334640000002,87.044076000000004,"C01771","2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid","C4H6O2",86.036799999999999,"M+H",3]
["Multiple",87.044334640000002,87.044076000000004,"C02497","2-Butyne-1,4-diol;1,4-Butynediol","C4H6O2",86.036799999999999,"M+H",3]
["Multiple",87.044334640000002,87.044076000000004,"C00741","Diacetyl;Biacetyl;Dimethylglyoxal;2,3-Butanedione","C4H6O2",86.036799999999999,"M+H",3]
["Multiple",88.039583820000004,88.039276000000001,"C20253","Aminoacrylate;(Z)-3-Aminoacrylate","C3H5NO2",87.031999999999996,"M+H",3]
["Multiple",88.039583820000004,88.039276000000001,"C06695","2-Oxazolidinone","C3H5NO2",87.031999999999996,"M+H",3]
["Multiple",88.039583820000004,88.039276000000001,"C02218","Dehydroalanine;2-Aminoacrylate","C3H5NO2",87.031999999999996,"M+H",3]
["Multiple",88.075958909999997,88.075676000000001,"C20315","(Z)-2-Methylpropanal oxime","C4H9NO",87.068399999999997,"M+H",3]
["Multiple",88.075958909999997,88.075676000000001,"C03219","(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime","C4H9NO",87.068399999999997,"M+H",3]
["Multiple",88.075958909999997,88.075676000000001,"C14452","Morpholine;Tetrahydro-1,4-oxazine","C4H9NO",87.068399999999997,"M+H",3]
["Multiple",88.075958909999997,88.075676000000001,"C20339","N,N-Dimethylacetamide","C4H9NO",87.068399999999997,"M+H",3]
["Multiple",88.075958909999997,88.075676000000001,"C00555","4-Aminobutyraldehyde;4-Aminobutanal","C4H9NO",87.068399999999997,"M+H",3]
["Multiple",88.075958909999997,88.075676000000001,"C19332","2-(1-Aziridinyl)ethanol;1-Aziridineethanol","C4H9NO",87.068399999999997,"M+H",3]
["Multiple",89.059943320000002,89.059675999999996,"C01769","(S)-Acetoin;(S)-2-Acetoin","C4H8O2",88.052400000000006,"M+H",3]
["Multiple",89.059943320000002,89.059675999999996,"C00246","Butanoic acid;Butanoate;Butyrate;Butyric acid","C4H8O2",88.052400000000006,"M+H",3]
["Multiple",89.059943320000002,89.059675999999996,"C00466","Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol","C4H8O2",88.052400000000006,"M+H",3]
["Multiple",89.059943320000002,89.059675999999996,"C00849","Ethyl acetate","C4H8O2",88.052400000000006,"M+H",3]
["Multiple",89.059943320000002,89.059675999999996,"C02632","2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate","C4H8O2",88.052400000000006,"M+H",3]
["Multiple",89.059943320000002,89.059675999999996,"C14440","1,4-Dioxane;p-Dioxane","C4H8O2",88.052400000000006,"M+H",3]
["Multiple",89.059943320000002,89.059675999999996,"C00810","(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one","C4H8O2",88.052400000000006,"M+H",3]
["Unique",93.070169669999999,93.069875999999994,"C01455","Toluene;Methylbenzene;Toluol","C7H8",92.062600000000003,"M+H",3]
["Multiple",95.049433260000001,95.049176000000003,"C15584","Phenol","C6H6O",94.041899999999998,"M+H",3]
["Multiple",95.049433260000001,95.049176000000003,"C01782","Arene oxide","C6H6O",94.041899999999998,"M+H",3]
["Multiple",95.049433260000001,95.049176000000003,"C00146","Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid","C6H6O",94.041899999999998,"M+H",3]
["Multiple",96.961311249999994,96.960676000000007,"C14039","1,1-Dichloroethylene;Vinylidene chloride;1,1-DCE","C2H2Cl2",95.953400000000002,"M+H",3]
["Multiple",96.961311249999994,96.960676000000007,"C06792","cis-1,2-Dichloroethene;cis-Acetylene dichloride","C2H2Cl2",95.953400000000002,"M+H",3]
["Multiple",96.961311249999994,96.960676000000007,"C06791","trans-1,2-Dichloroethene;trans-Acetylene dichloride","C2H2Cl2",95.953400000000002,"M+H",3]
["Multiple",97.028711450000003,97.028375999999994,"C07090","Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide","C5H4O2",96.021100000000004,"M+H",3]
["Multiple",97.028711450000003,97.028375999999994,"C14279","Furfural;2-Furaldehyde","C5H4O2",96.021100000000004,"M+H",3]
["Multiple",97.065119449999997,97.064775999999995,"C02395","Cyclohex-2-enone;2-Cyclohexen-1-one","C6H8O",96.057500000000005,"M+H",3]
["Multiple",97.065119449999997,97.064775999999995,"C19249","2,4-Hexadienal;(E,E)-2,4-Hexadienal","C6H8O",96.057500000000005,"M+H",3]
["Multiple",98.984474570000003,98.984176000000005,"C00009","Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid","H3PO4",97.976900000000001,"M+H",3]
["Multiple",98.984474570000003,98.984275999999994,"C12554","Potassium acetate","C2H3O2. K",97.977000000000004,"M+H",3]
["Multiple",99.044364520000002,99.044076000000004,"C20578","Tulipalin A;2-Methylenebutanolactone","C5H6O2",98.036799999999999,"M+H",3]
["Multiple",99.044364520000002,99.044076000000004,"C20441","Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol","C5H6O2",98.036799999999999,"M+H",3]
["Multiple",99.080667430000005,99.080476000000004,"C08497","(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde","C6H10O",98.0732,"M+H",3]
["Multiple",99.080667430000005,99.080476000000004,"C00414","Cyclohexanone","C6H10O",98.0732,"M+H",3]
["Multiple",99.080667430000005,99.080476000000004,"C16310","3-Hexenal;(3Z)-Hexenal","C6H10O",98.0732,"M+H",3]
["Unique",1000.294411,1000.302818,"C02593","Tetradecanoyl-CoA;Myristoyl-CoA","C35H62N7O17P3S",977.31359999999995,"M+Na",3]
["Multiple",105.0426557,105.04231799999999,"C19261","2-Methylimidazole","C4H6N2",82.053100000000001,"M+Na",3]
["Multiple",105.0426557,105.04231799999999,"C19262","4-Methylimidazole","C4H6N2",82.053100000000001,"M+Na",3]
["Multiple",105.0426557,105.04231799999999,"C07837","Fomepizole;4-Methylpyrazole","C4H6N2",82.053100000000001,"M+Na",3]
["Multiple",106.9509219,106.95061800000001,"C01485","Chloric acid;Chlorate","HClO3",83.961399999999998,"M+Na",3]
["Multiple",107.0705885,107.07051800000001,"C06178","1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium","C5H10N",84.081299999999999,"M+Na",3]
["Multiple",110.02031220000001,110.021218,"C20253","Aminoacrylate;(Z)-3-Aminoacrylate","C3H5NO2",87.031999999999996,"M+Na",3]
["Multiple",110.02031220000001,110.021218,"C06695","2-Oxazolidinone","C3H5NO2",87.031999999999996,"M+Na",3]
["Multiple",110.02031220000001,110.021218,"C02218","Dehydroalanine;2-Aminoacrylate","C3H5NO2",87.031999999999996,"M+Na",3]
["Unique",116.97223529999999,116.971418,"C06755","Chloroacetic acid;Chloroethanoic acid","C2H3ClO2",93.982200000000006,"M+Na",3]
["Multiple",117.0550356,117.054918,"C02724","N-Methylpyridinium","C6H8N",94.065700000000007,"M+Na",3]
["Unique",119.0257014,119.026718,"C11272","Fluorobenzene","C6H5F",96.037499999999994,"M+Na",3]
["Multiple",123.0407182,123.041618,"C08279","Tiglic acid;(E)-2,3-Dimethylacrylic acid","C5H8O2",100.05240000000001,"M+Na",3]
["Multiple",123.0407182,123.041618,"C14527","Methyl methacrylate;MMA;Methyl 2-methylpropenoate","C5H8O2",100.05240000000001,"M+Na",3]
["Multiple",123.0407182,123.041618,"C15499","Pentane-2,4-dione;Acetylacetone;2,4-Dioxopentane","C5H8O2",100.05240000000001,"M+Na",3]
["Multiple",123.0407182,123.041618,"C02240","5-Valerolactone;delta-Valerolactone;gamma-Valerolactone","C5H8O2",100.05240000000001,"M+Na",3]
["Multiple",123.0407182,123.041618,"C19238","Ethyl acrylate","C5H8O2",100.05240000000001,"M+Na",3]
["Multiple",123.0407182,123.041618,"C12518","Glutaral;1,5-Pentanedial;Glutaraldehyde","C5H8O2",100.05240000000001,"M+Na",3]
["Unique",1245.5803920000001,1245.5874180000001,"C08938","Cyclamin","C58H94O27",1222.5981999999999,"M+Na",3]
["Multiple",128.97147870000001,128.971418,"C06614","trans-3-Chloroacrylic acid","C3H3ClO2",105.98220000000001,"M+Na",3]
["Multiple",128.97147870000001,128.971418,"C20609","2-Chloroacrylate;2-Chloroacrylic acid","C3H3ClO2",105.98220000000001,"M+Na",3]
["Multiple",128.97147870000001,128.971418,"C06615","cis-3-Chloroacrylic acid","C3H3ClO2",105.98220000000001,"M+Na",3]
["Unique",129.05260369999999,129.05221800000001,"C14689","Diethylene glycol;2,2'-Oxydiethanol;1,5-Dihydroxy-3-oxapentane","C4H10O3",106.063,"M+Na",3]
["Multiple",136.048619,136.04811799999999,"C19280","3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile","C4H7N3O",113.05889999999999,"M+Na",3]
["Multiple",136.048619,136.04811799999999,"C00791","Creatinine;1-Methylglycocyamidine","C4H7N3O",113.05889999999999,"M+Na",3]
["Unique",137.000474,136.99911800000001,"C18773","Ammonium sulfamate","NH4SO3NH2",114.0099,"M+Na",3]
["Unique",139.9962027,139.995418,"C02231","3-Nitroacrylate","C3H3NO4",117.00620000000001,"M+Na",3]
["Multiple",140.0686848,140.068218,"C16436","Valine","C5H11NO2",117.07899999999999,"M+Na",3]
["Multiple",140.0686848,140.068218,"C00431","5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid","C5H11NO2",117.07899999999999,"M+Na",3]
["Multiple",140.0686848,140.068218,"C00719","Betaine;Trimethylaminoacetate;Glycine betaine;N,N,N-Trimethylglycine;Trimethylammonioacetate","C5H11NO2",117.07899999999999,"M+Na",3]
["Multiple",140.0686848,140.068218,"C00183","L-Valine;2-Amino-3-methylbutyric acid","C5H11NO2",117.07899999999999,"M+Na",3]
["Multiple",140.0686848,140.068218,"C15987","4-Methylaminobutyrate;gamma-N-Methylaminobutyrate","C5H11NO2",117.07899999999999,"M+Na",3]
["Multiple",140.0686848,140.068218,"C07457","Amyl nitrite;Isoamyl nitrite","C5H11NO2",117.07899999999999,"M+Na",3]
["Multiple",140.0686848,140.068218,"C06417","D-Valine;(R)-2-Amino-3-methylbutyric acid","C5H11NO2",117.07899999999999,"M+Na",3]
["Multiple",140.0686848,140.068218,"C01799","D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid","C5H11NO2",117.07899999999999,"M+Na",3]
["Multiple",140.0686848,140.068218,"C03571","2-Amino-2-methylbutanoate","C5H11NO2",117.07899999999999,"M+Na",3]
["Multiple",140.0686848,140.068218,"C01826","L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid","C5H11NO2",117.07899999999999,"M+Na",3]
["Unique",140.90401629999999,140.90361799999999,"C13827","Chloroform","CHCl3",117.9144,"M+Na",3]
["Unique",142.97803709999999,142.977318,"C00957","Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate","C3H4O3S",119.9881,"M+Na",3]
["Unique",146.98083550000001,146.981718,"C03167","Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate","C2H5O4P",123.99250000000001,"M+Na",3]
["Multiple",149.05455509999999,149.054618,"C08737","Melamine;2,4,6-Triamino-1,3,5-triazine","C3H6N6",126.0654,"M+Na",3]
["Multiple",150.01470399999999,150.01611800000001,"C03458","2,3,6-Trihydroxypyridine","C5H5NO3",127.0269,"M+Na",3]
["Multiple",150.01470399999999,150.01611800000001,"C19721","5-Hydroxypyrrole-2-carboxylate","C5H5NO3",127.0269,"M+Na",3]
["Multiple",150.0272185,150.02741800000001,"C05516","5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid","C4H5N3O2",127.0382,"M+Na",3]
["Multiple",150.0272185,150.02741800000001,"C16621","1-Methyl-4-nitroimidazole","C4H5N3O2",127.0382,"M+Na",3]
["Multiple",150.93285560000001,150.93241800000001,"C11149","Dichloroacetate","C2H2Cl2O2",127.9432,"M+Na",3]
["Multiple",150.93285560000001,150.93151800000001,"C17478","Calcium oxalate","C2O4. Ca",127.9423,"M+Na",3]
["Multiple",151.03579149999999,151.036518,"C01125","Dihydro-4,4-dimethyl-2,3-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone","C6H8O3",128.04730000000001,"M+Na",3]
["Multiple",151.03579149999999,151.036518,"C20240","(2Z,4Z)-2-Hydroxyhexa-2,4-dienoate;(2Z,4Z)-2-Hydroxyhexa-2,4-dienoic acid","C6H8O3",128.04730000000001,"M+Na",3]
["Multiple",151.03579149999999,151.036518,"C06761","(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate","C6H8O3",128.04730000000001,"M+Na",3]
["Multiple",151.03579149999999,151.036518,"C11354","2-Hydroxy-cis-hex-2,4-dienoate","C6H8O3",128.04730000000001,"M+Na",3]
["Multiple",151.03579149999999,151.036518,"C06719","Dihydrophloroglucinol","C6H8O3",128.04730000000001,"M+Na",3]
["Multiple",151.03579149999999,151.036518,"C20443","5-Hydroxymethylfurfuryl alcohol;2,5-Bis(hydroxymethyl)furan","C6H8O3",128.04730000000001,"M+Na",3]
["Multiple",151.03579149999999,151.036518,"C20717","4-Hydroxy-2,5-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone","C6H8O3",128.04730000000001,"M+Na",3]
["Unique",157.08401939999999,157.083518,"C20334","1,2,6-Hexanetriol","C6H14O3",134.0943,"M+Na",3]
["Multiple",159.0656516,159.06411800000001,"C05650","Tetrahydropteridine;5,6,7,8-Tetrahydropteridine","C6H8N4",136.07490000000001,"M+Na",3]
["Multiple",160.03665649999999,160.03691800000001,"C01004","N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine","C7H7NO2",137.04769999999999,"M+Na",3]
["Multiple",160.03665649999999,160.03691800000001,"C19597","2-Nitrotoluene","C7H7NO2",137.04769999999999,"M+Na",3]
["Multiple",160.03665649999999,160.03691800000001,"C00568","4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate","C7H7NO2",137.04769999999999,"M+Na",3]
["Multiple",160.03665649999999,160.03691800000001,"C00108","Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate","C7H7NO2",137.04769999999999,"M+Na",3]
["Multiple",160.03665649999999,160.03691800000001,"C14394","4-Nitrotoluene;1-Methyl-4-nitrobenzene","C7H7NO2",137.04769999999999,"M+Na",3]
["Multiple",160.03665649999999,160.03691800000001,"C19486","3-Nitrotoluene","C7H7NO2",137.04769999999999,"M+Na",3]
["Multiple",160.03665649999999,160.03801799999999,"C15533","4-Fluoro-L-threonine","C4H8FNO3",137.0488,"M+Na",3]
["Multiple",162.9986346,163.00021799999999,"C12838","trans-4-Carboxymethylenebut-2-en-4-olide","C6H4O4",140.011,"M+Na",3]
["Multiple",162.9986346,163.00021799999999,"C20449","5-Formyl-2-furoate;5-Formyl-2-furancarboxylate","C6H4O4",140.011,"M+Na",3]
["Multiple",162.9986346,163.00021799999999,"C04431","cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide","C6H4O4",140.011,"M+Na",3]
["Unique",163.9910951,163.99051800000001,"C18667","Methamidophos","C2H8NO2PS",141.00129999999999,"M+Na",3]
["Unique",164.93055219999999,164.93001799999999,"C13558","Dibasic sodium phosphate;Disodium phosphate","Na2HPO4",141.9408,"M+Na",3]
["Unique",167.09012279999999,167.090318,"C03078","4-Guanidinobutanamide","C5H12N4O",144.1011,"M+Na",3]
["Unique",167.9824528,167.98381800000001,"C19324","2-Amino-5-nitrothiazole;Aminonitrothiazole","C3H3N3O2S",144.99459999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C00659","2-Aceto-2-hydroxybutanoate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C06104","Adipate;Adipic acid;Hexanedioate;Hexan-1,6-dicarboxylate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C01053","(R)-4-Dehydropantoate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C16272","3-Hydroxy-5-oxohexanoate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C04237","3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C00772","Mevaldate;Mevaldic acid","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C14463","(R)-3-Hydroxy-3-methyl-2-oxopentanoate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C00966","2-Dehydropantoate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C06762","4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C06006","(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate","C6H10O4",146.05789999999999,"M+Na",3]
["Unique",170.06079539999999,170.06101799999999,"C17245","5-Methylthiopentanaldoxime","C6H13NOS",147.0718,"M+Na",3]
["Unique",170.98117869999999,170.98191800000001,"C11353","2-Hydroxy-3-chloropenta-2,4-dienoate","C5H5ClO3",147.99270000000001,"M+Na",3]
["Multiple",171.06332420000001,171.06281799999999,"C03348","3,6-Dideoxy-L-galactose;Colitose;3,6-Dideoxy-L-xylo-hexose","C6H12O4",148.0736,"M+Na",3]
["Multiple",171.06332420000001,171.06281799999999,"C06007","(R)-2,3-Dihydroxy-3-methylpentanoate;(R)-2,3-Dihydroxy-3-methylvalerate;(2R,3R)-2,3-Dihydroxy-3-methylpentanoate","C6H12O4",148.0736,"M+Na",3]
["Multiple",171.06332420000001,171.06281799999999,"C04104","2,3-Dihydroxy-3-methylpentanoate;2,3-Dihydroxy-3-methylvalerate","C6H12O4",148.0736,"M+Na",3]
["Multiple",171.06332420000001,171.06281799999999,"C00418","(R)-Mevalonate;Mevalonic acid;3,5-Dihydroxy-3-methylvaleric acid","C6H12O4",148.0736,"M+Na",3]
["Multiple",171.06332420000001,171.06281799999999,"C00522","(R)-Pantoate;Pantoate;Pantoic acid","C6H12O4",148.0736,"M+Na",3]
["Multiple",171.06332420000001,171.06281799999999,"C06471","Abequose;3,6-Deoxy-D-galactose;3,6-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose","C6H12O4",148.0736,"M+Na",3]
["Multiple",171.06332420000001,171.06281799999999,"C02104","(S)-Mevalonate;(S)-Mevalonic acid;(S)-3,5-Dihydroxy-3-methylvaleric acid","C6H12O4",148.0736,"M+Na",3]
["Multiple",177.0551907,177.056318,"C18980","Dimefox","C4H12FN2OP",154.06710000000001,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C00843","(-)-Menthone;l-Menthone;p-Menthan-3-one","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11390","(+)-Menthone","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C01766","(-)-Borneol;l-Borneol;(1S,2R,4S)-(-)-Borneol;Linderol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C01411","Borneol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C01765","(+)-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R,2S,4R)-(+)-Borneol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C02344","(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11393","(-)-alpha-Terpineol;(L)-alpha-Terpineol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11396","(1R,2R,4R)-Dihydrocarveol;(-)-Dihydrocarveol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C01500","Geraniol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11397","(1R,2S,4R)-Neo-dihydrocarveol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11413","(1S,2S,4S)-Dihydrocarveol;(+)-Dihydrocarveol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11384","(S)-(-)-Citronellal;(S)-3,7-Dimethyloct-6-enal","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C20261","(+)-Thujan-3-ol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11399","(1S,2S,4R)-Iso-dihydrocarveol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C03039","(+)-trans-Piperitenol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C02462","Sabinene hydrate","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C16772","alpha-Terpineol;dl-alpha-Terpineol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C18017","8-p-Menthen-2-ol;1,6-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C16909","1,4-Cineole;1,4-Epoxy-p-menthane","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11952","(+)-Isomenthone","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C03985","3,7-Dimethylocta-1,6-dien-3-ol;Linalool","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C09848","(R)-(+)-Citronellal","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11389","(+)-Linalool;(S)-(+)-Linalool;(3S)-Linalool","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11411","(1R,2R,4S)-Iso-dihydrocarveol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C17384","Citronellal","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C09871","Nerol;(Z)-3,7-Dimethylocta-2,6-dien-1-ol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11416","(1S,2R,4S)-Neo-dihydrocarveol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C09902","(R)-(+)-alpha-Terpineol;(+)-alpha-Terpineol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C02484","(+)-trans-Pulegol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11400","(1S,2R,4R)-Neoiso-dihydrocarveol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11388","(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C17517","beta-Terpineol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C17518","gamma-Terpineol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C17611","Chrysanthemol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11410","(1R,2S,4S)- Neoiso-dihydrocarveol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C17125","(-)-Isomenthone;l-Isomenthone","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C09844","1,8-Cineole;1,8-Cineol;Eucalyptol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C17073","Terpineol-4;Terpinen-4-ol","C10H18O",154.13579999999999,"M+Na",3]
["Unique",180.99048239999999,180.99061800000001,"C20360","Sodium methallylsulfonate;Sodium methallyl sulfonate","C4H7O3S. Na",158.00139999999999,"M+Na",3]
["Multiple",181.07256509999999,181.07361800000001,"C19463","1,5-Naphthalenediamine","C10H10N2",158.08439999999999,"M+Na",3]
["Multiple",181.07256509999999,181.07361800000001,"C10161","Nicotyrine;beta-Nicotyrine","C10H10N2",158.08439999999999,"M+Na",3]
["Multiple",184.07393189999999,184.073318,"C00955","Indole-3-ethanol;Tryptophol","C10H11NO",161.08410000000001,"M+Na",3]
["Multiple",184.07393189999999,184.073318,"C09915","Boschniakine;(R)-6,7-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde","C10H11NO",161.08410000000001,"M+Na",3]
["Multiple",185.0239918,185.02431799999999,"C17211","2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid","C6H10O3S",162.0351,"M+Na",3]
["Multiple",185.0239918,185.02431799999999,"C15606","1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one","C6H10O3S",162.0351,"M+Na",3]
["Multiple",185.07921260000001,185.078418,"C08234","beta-Cymaropyranose;D-Cymarose;Cymarose;2,6-Dideoxy-3-O-methyl-D-ribo-hexose","C7H14O4",162.08920000000001,"M+Na",3]
["Multiple",185.07921260000001,185.078418,"C08237","Oleandrose;beta-L-Oleandropyranose","C7H14O4",162.08920000000001,"M+Na",3]
["Unique",190.99368319999999,190.99511799999999,"C20366","2-Oxo-3-(5-oxofuran-2-ylidene)propanoate","C7H4O5",168.0059,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C06069","Iridodial;cis-trans-Iridodial","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C09836","Ascaridole","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C03448","(+)-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C11418","(3S,6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C11403","(3S,6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C16461","Geranic acid;3,7-Dimethylocta-2,6-dienoate;Geranate","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C11402","(4R,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C20223","(6E)-8-Oxogeraniol","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C08489","(Z)-3,5-Hexadienyl butyrate","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C18019","1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C09854","Diosphenol","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C09804","cis-trans-Nepetalactol;cis-trans-Iridodial lactol","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C02108","1,2-Campholide","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C11414","(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C09785","(+)-Iridodial","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C00848","6-Oxocineole;(1R,4S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-one;2-Oxo-1,8-cineole","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C09786","Iridomyrmecin","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C19731","(3S)-3-Hydroxycyclocitral","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C20221","(6E)-8-Oxolinalool;trans-8-Oxolinalool","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C08498","Lilac aldehyde","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C11944","cis-2-Methyl-5-isopropylhexa-2,5-dienoic acid","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C09842","Chrysanthemic acid","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C08546","Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C11651","8-Epiiridodial","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C11937","(1S,4R)-1-Hydroxy-2-oxolimonene;(1S,4R)-1-Hydroxymenth-8-en-2-one","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C11943","trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C19083","(1R,4S)-1-Hydroxy-2-oxolimonene","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C20222","(6E)-8-Hydroxygeranial","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C20323","(+)-6-endo-Hydroxycamphor","C10H16O2",168.11500000000001,"M+Na",3]
["Multiple",191.10591070000001,191.104218,"C20322","(+)-6-exo-Hydroxycamphor","C10H16O2",168.11500000000001,"M+Na",3]
["Unique",193.00701430000001,193.00591800000001,"C06607","Diethylthiophosphoric acid;DETP","C4H11O3PS",170.01669999999999,"M+Na",3]
["Multiple",195.08830810000001,195.08921799999999,"C10656","Deoxypeganine;3-Deoxyvasicine","C11H12N2",172.1,"M+Na",3]
["Unique",195.12336010000001,195.12161800000001,"C02131","Acetylagmatine","C7H16N4O",172.13239999999999,"M+Na",3]
["Multiple",197.101597,197.10091800000001,"C02385","Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid","C6H14N4O2",174.11170000000001,"M+Na",3]
["Multiple",197.101597,197.10091800000001,"C00792","D-Arginine;D-2-Amino-5-guanidinovaleric acid","C6H14N4O2",174.11170000000001,"M+Na",3]
["Multiple",197.101597,197.10091800000001,"C00062","L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg","C6H14N4O2",174.11170000000001,"M+Na",3]
["Unique",197.99290669999999,197.992818,"C20670","2-Amino-5-chloromuconate 6-semialdehyde","C6H6ClNO3",175.00360000000001,"M+Na",3]
["Multiple",199.0736115,199.07291799999999,"C10389","Prenylbenzoquinone","C11H12O2",176.08369999999999,"M+Na",3]
["Multiple",199.0736115,199.07291799999999,"C06359","Ethyl cinnamate;3-Phenylpropenoic acid ethyl","C11H12O2",176.08369999999999,"M+Na",3]
["Multiple",199.0736115,199.07291799999999,"C08453","Lachnophyllum ester;2-Decene-4,6-diynoic acid, methyl ester, (E)-","C11H12O2",176.08369999999999,"M+Na",3]
["Multiple",199.0736115,199.07291799999999,"C14083","cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene","C11H12O2",176.08369999999999,"M+Na",3]
["Multiple",199.0736115,199.07291799999999,"C14102","cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene","C11H12O2",176.08369999999999,"M+Na",3]
["Multiple",199.0736115,199.07291799999999,"C14111","5,6,7,8-Tetrahydro-2-naphthoic acid","C11H12O2",176.08369999999999,"M+Na",3]
["Multiple",199.0736115,199.07291799999999,"C12299","Cinnamyl acetate;3-Phenyl-2-propenyl acetate","C11H12O2",176.08369999999999,"M+Na",3]
["Unique",200.97300490000001,200.97461799999999,"C20341","Disodium malate;Disodium DL-malate","C4H4O5. 2Na",177.9854,"M+Na",3]
["Unique",200.9964085,200.99571800000001,"C11582","2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride","C6H7ClN2. HCl",178.00649999999999,"M+Na",3]
["Unique",203.1398203,203.14061799999999,"C08375","(3Z,6Z,9Z)-3,6,9-Dodecatrien-1-ol;(Z,Z,Z)-3,6,9-Dodecatrien-1-ol","C12H20O",180.1514,"M+Na",3]
["Multiple",205.08278039999999,205.083518,"C17822","3,4,5-Trimethoxytoluene","C10H14O3",182.0943,"M+Na",3]
["Multiple",205.08278039999999,205.083518,"C10448","Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol","C10H14O3",182.0943,"M+Na",3]
["Multiple",205.08278039999999,205.083518,"C07159","2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate;2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetic acid","C10H14O3",182.0943,"M+Na",3]
["Multiple",205.08278039999999,205.083518,"C06070","Iridotrial;(1S,2R,3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde","C10H14O3",182.0943,"M+Na",3]
["Multiple",205.08278039999999,205.083518,"C17825","(+/-)-Asarinol B","C10H14O3",182.0943,"M+Na",3]
["Multiple",205.08278039999999,205.083518,"C02952","5-Oxo-1,2-campholide;(+)-5-Oxo-1,2-campholide","C10H14O3",182.0943,"M+Na",3]
["Multiple",205.08278039999999,205.083518,"C20271","[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetate","C10H14O3",182.0943,"M+Na",3]
["Multiple",205.08278039999999,205.083518,"C19351","Bis(2,3-epoxycyclopentyl)ether","C10H14O3",182.0943,"M+Na",3]
["Multiple",205.08278039999999,205.083518,"C17823","2,4,5-Trimethoxytoluene","C10H14O3",182.0943,"M+Na",3]
["Multiple",205.08278039999999,205.08081799999999,"C06936","Dacarbazine","C6H10N6O",182.0916,"M+Na",3]
["Multiple",205.08653860000001,205.08761799999999,"C19008","Mipafox","C6H16FN2OP",182.0984,"M+Na",3]
["Multiple",206.06742980000001,206.06881799999999,"C19186","2-Amino-9H-pyrido[2,3-b]indole;2-Amino-alpha-carboline;A-alpha-C","C11H9N3",183.0796,"M+Na",3]
["Multiple",210.05077299999999,210.05171799999999,"C06559","Deethylatrazine","C6H10ClN5",187.0625,"M+Na",3]
["Unique",213.05459870000001,213.05561800000001,"C17220","2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid","C8H14O3S",190.06639999999999,"M+Na",3]
["Unique",214.98549209999999,214.98701800000001,"C03753","2-Chloro-1,4-naphthoquinone","C10H5ClO2",191.99780000000001,"M+Na",3]
["Multiple",216.06378359999999,216.063118,"C05598","Phenylacetylglycine","C10H11NO3",193.07390000000001,"M+Na",3]
["Multiple",216.06378359999999,216.063118,"C16587","3-Carbamoyl-2-phenylpropionaldehyde","C10H11NO3",193.07390000000001,"M+Na",3]
["Multiple",216.06378359999999,216.063118,"C09962","Gentioflavine","C10H11NO3",193.07390000000001,"M+Na",3]
["Multiple",216.06378359999999,216.063118,"C06726","5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline","C10H11NO3",193.07390000000001,"M+Na",3]
["Multiple",216.06378359999999,216.063118,"C03450","(3-Arylcarbonyl)-alanine","C10H11NO3",193.07390000000001,"M+Na",3]
["Multiple",216.06378359999999,216.063118,"C16595","4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one","C10H11NO3",193.07390000000001,"M+Na",3]
["Multiple",216.06378359999999,216.063118,"C10581","Cichorine","C10H11NO3",193.07390000000001,"M+Na",3]
["Multiple",221.16312120000001,221.162418,"C19109","Cycluron","C11H22N2O",198.17320000000001,"M+Na",3]
["Multiple",223.08508190000001,223.08421799999999,"C14759","4,4'-Diaminodiphenyl ether;4-Aminophenyl ether;4,4'-Oxybisbenzenamine;4,4'-Oxydianiline","C12H12N2O",200.095,"M+Na",3]
["Multiple",223.08508190000001,223.08421799999999,"C06537","Harmalol","C12H12N2O",200.095,"M+Na",3]
["Multiple",225.061239,225.06341800000001,"C10744","Vasicinone","C11H10N2O2",202.07419999999999,"M+Na",3]
["Multiple",225.061239,225.06341800000001,"C06732","alpha,beta-Didehydrotryptophan","C11H10N2O2",202.07419999999999,"M+Na",3]
["Multiple",225.061239,225.06111799999999,"C12839","Piperazine phosphate","H3PO4. C4H10N2. H2O",202.0719,"M+Na",3]
["Multiple",225.1321992,225.13221799999999,"C01404","Arg-OEt","C8H18N4O2",202.143,"M+Na",3]
["Multiple",225.1321992,225.13221799999999,"C03626","NG,NG-Dimethyl-L-arginine;N,N-Dimethylarginine;Nomega,Nomega-Dimethyl-L-arginine;ADMA","C8H18N4O2",202.143,"M+Na",3]
["Multiple",227.0158611,227.01621800000001,"C05533","Oxaloglutarate","C7H8O7",204.02699999999999,"M+Na",3]
["Unique",228.95646930000001,228.954218,"C11000","Dichloran;Dicloran;2,6-Dichloro-4-nitroaniline;DCNA","C6H4Cl2N2O2",205.965,"M+Na",3]
["Multiple",229.15541279999999,229.156318,"C14132","4-Octylphenol;4-n-Octylphenol;p-Octylphenol","C14H22O",206.1671,"M+Na",3]
["Multiple",229.15541279999999,229.156318,"C09690","alpha-Irone;(+)-cis-alpha-Irone","C14H22O",206.1671,"M+Na",3]
["Multiple",229.15541279999999,229.156318,"C14205","4-tert-Octylphenol;4-t-Octylphenol;4-(1,1,3,3-Tetramethylbutyl)phenol","C14H22O",206.1671,"M+Na",3]
["Multiple",229.15541279999999,229.156318,"C11350","(+)-trans-alpha-Irone","C14H22O",206.1671,"M+Na",3]
["Unique",232.9930726,232.99131800000001,"C18719","Dimethipin;2,3-dihydro-5,6-dimethyl-1,4-dithiine 1,1,4,4-tetraoxide","C6H10O4S2",210.00210000000001,"M+Na",3]
["Unique",233.13914370000001,233.13861800000001,"C17063","Salicifoline","C12H20NO2",210.14940000000001,"M+Na",3]
["Unique",234.13332220000001,234.132518,"C19098","Atraton","C9H17N5O",211.14330000000001,"M+Na",3]
["Multiple",240.1002842,240.09951799999999,"C18914","Pyracarbolid","C13H15NO2",217.1103,"M+Na",3]
["Multiple",240.1002842,240.09951799999999,"C07489","Glutethimide;2-Ethyl-2-phenylglutarimide","C13H15NO2",217.1103,"M+Na",3]
["Multiple",240.1002842,240.09951799999999,"C10614","Securinine","C13H15NO2",217.1103,"M+Na",3]
["Unique",242.9262038,242.927718,"C01874","2-Iodophenol","C6H5IO",219.9385,"M+Na",3]
["Unique",244.05388009999999,244.05151799999999,"C10909","Methabenzthiazuron","C10H11N3OS",221.06229999999999,"M+Na",3]
["Multiple",248.14842759999999,248.14821800000001,"C18768","Terbumeton","C10H19N5O",225.15899999999999,"M+Na",3]
["Multiple",248.14842759999999,248.14821800000001,"C19106","Secbumeton","C10H19N5O",225.15899999999999,"M+Na",3]
["Multiple",248.14842759999999,248.14821800000001,"C14186","Prometon;2,4-Bis(isopropylamino)-6-methoxy-1,3,5-triazine","C10H19N5O",225.15899999999999,"M+Na",3]
["Multiple",249.06166260000001,249.05941799999999,"C16365","5-Acetylamino-6-formylamino-3-methyluracil;AFMU","C8H10N4O4",226.0702,"M+Na",3]
["Unique",261.13168860000002,261.13221800000002,"C11079","Pirimicarb","C11H18N4O2",238.143,"M+Na",3]
["Multiple",265.10535549999997,265.10601800000001,"C11232","Diphenylcarbazide","C13H14N4O",242.11680000000001,"M+Na",3]
["Multiple",265.11915470000002,265.11991799999998,"C15278","4,4'-(2-Methylpropylidene)bisphenol;4,4'-Isobutylidenediphenol","C16H18O2",242.13069999999999,"M+Na",3]
["Multiple",265.11915470000002,265.11991799999998,"C14225","Bisphenol B;4,4'-Dihydroxy-2,2-diphenylbutane;2,2-Bis(4-hydroxyphenyl)butane","C16H18O2",242.13069999999999,"M+Na",3]
["Multiple",265.11915470000002,265.11991799999998,"C14898","4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone","C16H18O2",242.13069999999999,"M+Na",3]
["Multiple",265.11915470000002,265.11991799999998,"C15069","4,4'-(Butane-1,1-diyl)diphenol;1,1-Bis(4-hydroxyphenyl)butane","C16H18O2",242.13069999999999,"M+Na",3]
["Multiple",277.12895429999998,277.13111800000001,"C06068","Elymoclavine;Dihydrolysergol","C16H18N2O",254.14189999999999,"M+Na",3]
["Multiple",277.12895429999998,277.13111800000001,"C20379","Chanoclavine-I aldehyde","C16H18N2O",254.14189999999999,"M+Na",3]
["Multiple",277.12895429999998,277.13111800000001,"C07616","Amphenone B","C16H18N2O",254.14189999999999,"M+Na",3]
["Unique",279.09422619999998,279.09511800000001,"C15497","1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide;Reduced nicotinamide riboside","C11H16N2O5",256.10590000000002,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C09600","Vulgarin","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C09540","Ridentin","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C09542","Salonitenolide","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C10766","Ascosalitoxin","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C06082","Abscisate;Abscisic acid;(+)-Abscisic acid;ABA","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C09349","Baileyin","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C09304","Artemisiifolin","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C09574","Vermeerin","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C09381","Coronopilin","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C11060","(-)-Abscisic acid;(-)-ABA","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C09355","Chamissonin","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C09291","Amaralin","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C09453","Florilenalin","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C09470","Granilin","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C09481","Hymenolin","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C09530","Pleniradin","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C09688","Illudin S","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C09708","Phomenone","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C09531","Plenolin","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C20402","Neopentalenolactone D","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C20399","Pentalenolactone D","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C09498","Ludovicin A","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C09506","Michelenolide","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C09456","Geigerin","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",287.12772669999998,287.12541800000002,"C09683","Hirsutic acid C","C15H20O4",264.13619999999997,"M+Na",3]
["Multiple",289.14339319999999,289.14101799999997,"C10840","Zinniol","C15H22O4",266.15179999999998,"M+Na",3]
["Multiple",289.14339319999999,289.14101799999997,"C13454","Xanthoxic acid","C15H22O4",266.15179999999998,"M+Na",3]
["Multiple",289.14339319999999,289.14101799999997,"C09717","Rugosal A;Rugosal","C15H22O4",266.15179999999998,"M+Na",3]
["Multiple",289.14339319999999,289.14101799999997,"C09702","Mukaadial","C15H22O4",266.15179999999998,"M+Na",3]
["Unique",294.03266669999999,294.03331800000001,"C03225","3,5-Dinitro-L-tyrosine","C9H9N3O7",271.04410000000001,"M+Na",3]
["Multiple",297.14887169999997,297.146118,"C09171","Podocarpic acid","C17H22O3",274.15690000000001,"M+Na",3]
["Multiple",297.14887169999997,297.146118,"C18131","Geranyl-hydroxybenzoate","C17H22O3",274.15690000000001,"M+Na",3]
["Multiple",297.14887169999997,297.146118,"C14660","Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid","C17H22O3",274.15690000000001,"M+Na",3]
["Multiple",299.1272366,299.12541800000002,"C09548","Scorpioidin","C16H20O4",276.13619999999997,"M+Na",3]
["Multiple",299.1272366,299.12541800000002,"C17745","1-(3,4-Dihydroxyphenyl)-1-decene-3,5-dione","C16H20O4",276.13619999999997,"M+Na",3]
["Multiple",301.1422705,301.14101799999997,"C03343","2-Ethylhexyl phthalate","C16H22O4",278.15179999999998,"M+Na",3]
["Multiple",301.1422705,301.14101799999997,"C14214","Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 1,2-benzenedicarboxylate","C16H22O4",278.15179999999998,"M+Na",3]
["Multiple",301.1422705,301.14101799999997,"C15205","Diisobutyl phthalate;DIBP","C16H22O4",278.15179999999998,"M+Na",3]
["Multiple",305.152422,305.15121799999997,"C10281","4-Prenyldihydropinosylvin","C19H22O2",282.16199999999998,"M+Na",3]
["Multiple",305.152422,305.15121799999997,"C14551","Diethylstilbestrol monomethyl ether;Mestilbol","C19H22O2",282.16199999999998,"M+Na",3]
["Multiple",305.152422,305.15121799999997,"C15308","3-Hydroxy-1-methylestra-1,3,5(10),6-tetraen-17-one;1-Methyl-6-dehydroestrone","C19H22O2",282.16199999999998,"M+Na",3]
["Multiple",305.152422,305.15121799999997,"C13715","Miltirone","C19H22O2",282.16199999999998,"M+Na",3]
["Unique",312.78045309999999,312.78161799999998,"C19192","Antimony trioxide","Sb2O3",289.79239999999999,"M+Na",3]
["Multiple",313.1435505,313.14101799999997,"C17746","1-Dehydro-[6]-gingerdione","C17H22O4",290.15179999999998,"M+Na",3]
["Multiple",313.1435505,313.14101799999997,"C09492","Laurenobiolide","C17H22O4",290.15179999999998,"M+Na",3]
["Multiple",313.1435505,313.14101799999997,"C09564","Tulipinolide","C17H22O4",290.15179999999998,"M+Na",3]
["Multiple",313.1435505,313.14101799999997,"C09566","epi-Tulipinolide","C17H22O4",290.15179999999998,"M+Na",3]
["Multiple",313.1435505,313.14421800000002,"C14410","Phenbenzamine hydrochloride","C17H22N2. HCl",290.15499999999997,"M+Na",3]
["Multiple",313.17895679999998,313.17741799999999,"C14043","ML-236C","C18H26O3",290.18819999999999,"M+Na",3]
["Unique",314.9631273,314.96411799999998,"C20440","alpha-D-Ribose 1,2-cyclic phosphate 5-phosphate","C5H10O10P2",291.97489999999999,"M+Na",3]
["Multiple",317.0488259,317.05111799999997,"C17132","Aplysin","C15H19BrO",294.06189999999998,"M+Na",3]
["Multiple",317.0488259,317.05111799999997,"C17133","Filiformin;(-)-Filiformin","C15H19BrO",294.06189999999998,"M+Na",3]
["Multiple",317.0488259,317.05111799999997,"C17136","Laurinterol","C15H19BrO",294.06189999999998,"M+Na",3]
["Multiple",317.16212539999998,317.162418,"C09149","Eburnamonine;Vinburnine","C19H22N2O",294.17320000000001,"M+Na",3]
["Multiple",317.16212539999998,317.162418,"C11635","10-Deoxysarpagine;Sarpagan-17-ol","C19H22N2O",294.17320000000001,"M+Na",3]
["Multiple",317.16212539999998,317.162418,"C06528","Cinchonine;(9S)-Cinchonan-9-ol","C19H22N2O",294.17320000000001,"M+Na",3]
["Multiple",317.16212539999998,317.162418,"C16735","Corynantheal","C19H22N2O",294.17320000000001,"M+Na",3]
["Multiple",317.16212539999998,317.162418,"C11379","Cinchonidine;(8alpha,9R)-Cinchonan-9-ol","C19H22N2O",294.17320000000001,"M+Na",3]
["Multiple",335.12600850000001,335.12541800000002,"C09136","Montanin A","C19H20O4",312.13619999999997,"M+Na",3]
["Multiple",335.12600850000001,335.12541800000002,"C10283","4'-Prenyloxyresveratrol","C19H20O4",312.13619999999997,"M+Na",3]
["Multiple",335.12600850000001,335.12541800000002,"C14935","m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid","C19H20O4",312.13619999999997,"M+Na",3]
["Multiple",335.12600850000001,335.12541800000002,"C14211","Butylbenzyl phthalate;Butyl phenylmethyl 1,2-benzenedicarboxylate","C19H20O4",312.13619999999997,"M+Na",3]
["Multiple",336.01114369999999,336.010718,"C17168","Eudistomin H","C15H12BrN3",313.0215,"M+Na",3]
["Multiple",336.01114369999999,336.010718,"C16840","Eudistomin G","C15H12BrN3",313.0215,"M+Na",3]
["Unique",346.02578010000002,346.02731799999998,"C14434","EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate","C14H14NO4PS",323.03809999999999,"M+Na",3]
["Multiple",346.1089581,346.10811799999999,"C19210","CI Basic red 9","C19H17N3. HCl",323.1189,"M+Na",3]
["Unique",348.99087530000003,348.98841800000002,"C19077","Fenuron-TCA;Fenuron TCA","C9H13N2O. C2Cl3O2",325.99919999999997,"M+Na",3]
["Unique",351.28359690000002,351.28691800000001,"C02982","L-2-Hydroxyphytanate","C20H40O3",328.29770000000002,"M+Na",3]
["Multiple",352.98490679999998,352.98731800000002,"C14389","1,1,1-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor","C15H13Cl3O2",329.99810000000002,"M+Na",3]
["Multiple",352.98490679999998,352.982418,"C18964","Athidathion","C8H15N2O4PS3",329.9932,"M+Na",3]
["Multiple",352.98499170000002,352.982418,"C18964","Athidathion","C8H15N2O4PS3",329.9932,"M+Na",3]
["Multiple",352.98499170000002,352.98731800000002,"C14389","1,1,1-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor","C15H13Cl3O2",329.99810000000002,"M+Na",3]
["Multiple",360.1251595,360.12381800000003,"C19252","Magenta;Fuchsin;Rosaniline hydrochloride","C20H19N3. HCl",337.13459999999998,"M+Na",3]
["Multiple",360.1251595,360.12651799999998,"C07655","Streptobiosamine","C13H23NO9",337.13729999999998,"M+Na",3]
["Unique",363.01777199999998,363.01611800000001,"C11021","Diclofop methyl","C16H14Cl2O4",340.02690000000001,"M+Na",3]
["Unique",364.8726269,364.87421799999998,"C13086","Propagermanium;Proxigermanium","C6H10Ge2O7",341.88499999999999,"M+Na",3]
["Multiple",365.13654339999999,365.135918,"C18164","Deoxymiroestrol","C20H22O5",342.14670000000001,"M+Na",3]
["Multiple",365.13654339999999,365.135918,"C05229","Phaseollidin hydrate","C20H22O5",342.14670000000001,"M+Na",3]
["Multiple",367.17551639999999,367.17811799999998,"C20169","(+)TAN-67","C23H24N2O",344.18889999999999,"M+Na",3]
["Multiple",367.17551639999999,367.17811799999998,"C20168","(-)TAN-67","C23H24N2O",344.18889999999999,"M+Na",3]
["Unique",381.27902940000001,381.27641799999998,"C19660","Bufanolide","C24H38O2",358.28719999999998,"M+Na",3]
["Unique",383.2154003,383.21691800000002,"C15450","S 1033;(5Z,9alpha,11alpha,13E)-9,11-Dihydroxyprosta-5,13-dien-1-oic acid monosodium salt","C20H33O4. Na",360.22770000000003,"M+Na",3]
["Unique",385.03690940000001,385.03821799999997,"C13833","NS 1619","C15H8F6N2O2",362.04899999999998,"M+Na",3]
["Multiple",393.29810629999997,393.29751800000003,"C14240","Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate","C22H42O4",370.30829999999997,"M+Na",3]
["Multiple",393.29810629999997,393.29751800000003,"C19625","Docosanedioate","C22H42O4",370.30829999999997,"M+Na",3]
["Multiple",399.25143630000002,399.25061799999997,"C15346","5alpha-Androstane-3beta,17beta-diol diacetate;3beta,17beta-Diacetoxy-5alpha-androstane","C23H36O4",376.26139999999998,"M+Na",3]
["Multiple",399.25143630000002,399.25061799999997,"C15157","3-Acetyl-5alpha-androstane-3beta,17beta-diol 3-acetate","C23H36O4",376.26139999999998,"M+Na",3]
["Multiple",399.26725420000002,399.263418,"C20764","Phytyl phosphate","C20H41O4P",376.27420000000001,"M+Na",3]
["Multiple",399.26725420000002,399.26581800000002,"C20695","all-trans-10'-Apo-beta-carotenal","C27H36O",376.27659999999997,"M+Na",3]
["Multiple",399.26725420000002,399.26581800000002,"C20692","9-cis-10'-Apo-beta-carotenal","C27H36O",376.27659999999997,"M+Na",3]
["Unique",407.34717260000002,407.34951799999999,"C17873","2-Hydroxytetracosanoic acid","C24H48O3",384.3603,"M+Na",3]
["Multiple",413.26712859999998,413.26621799999998,"C14227","Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 1,2-benzenedicarboxylate","C24H38O4",390.27699999999999,"M+Na",3]
["Multiple",413.26712859999998,413.26621799999998,"C14577","Diisooctyl phthalate","C24H38O4",390.27699999999999,"M+Na",3]
["Multiple",413.26712859999998,413.26621799999998,"C03690","Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP","C24H38O4",390.27699999999999,"M+Na",3]
["Multiple",413.26712859999998,413.26621799999998,"C15375","Apocholic acid;3alpha,12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid","C24H38O4",390.27699999999999,"M+Na",3]
["Multiple",413.26712859999998,413.26621799999998,"C11637","3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate","C24H38O4",390.27699999999999,"M+Na",3]
["Unique",414.01339300000001,414.01621799999998,"C18344","Adenosine 5'-phosphate disodium","C10H12N5O7P. 2Na",391.02699999999999,"M+Na",3]
["Unique",416.71343610000002,416.710418,"C13383","Iodoform","CHI3",393.72120000000001,"M+Na",3]
["Multiple",421.32979260000002,421.32881800000001,"C19438","Lauroyl peroxide;Dilauroyl peroxide","C24H46O4",398.33960000000002,"M+Na",3]
["Unique",428.2560522,428.25601799999998,"C20534","12-Demethyl-11,12-dehydropaspaline","C27H35NO2",405.26679999999999,"M+Na",3]
["Multiple",429.24113499999999,429.24001800000002,"C08155","Nandrolone phenpropionate;Nandrolone phenylpropionate","C27H34O3",406.25080000000003,"M+Na",3]
["Unique",432.29098310000001,432.28731800000003,"C10829","Veratramine","C27H39NO2",409.29809999999998,"M+Na",3]
["Unique",433.26024990000002,433.25601799999998,"C03641","Sterol 3-beta-D-glucoside","C23H38O6",410.26679999999999,"M+Na",3]
["Unique",434.3068083,434.30291799999998,"C10798","Cyclopamine","C27H41NO2",411.31369999999998,"M+Na",3]
["Multiple",439.2598428,439.26391799999999,"C17989","Istamycin A3","C18H36N6O5",416.2747,"M+Na",3]
["Multiple",439.2598428,439.26391799999999,"C17993","Istamycin B3","C18H36N6O5",416.2747,"M+Na",3]
["Unique",441.26395230000003,441.26111800000001,"C15272","3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate","C25H38O5",418.27190000000002,"M+Na",3]
["Multiple",444.25126169999999,444.25091800000001,"C20528","Terpendole B","C27H35NO3",421.26170000000002,"M+Na",3]
["Multiple",444.25126169999999,444.25091800000001,"C20558","alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-11,12-dehydropaspaline","C27H35NO3",421.26170000000002,"M+Na",3]
["Multiple",444.25126169999999,444.25091800000001,"C20535","beta-PC-M6;beta-10-Hydroxy-12-demethyl-11,12-dehydropaspaline","C27H35NO3",421.26170000000002,"M+Na",3]
["Unique",447.25763060000003,447.26181800000001,"C13763","Devapamil","C26H36N2O3",424.27260000000001,"M+Na",3]
["Unique",449.02005530000002,449.02141799999998,"C17477","D-Galacturonic acid calcium salt","C12H18CaO14",426.03219999999999,"M+Na",3]
["Unique",454.26557300000002,454.26361800000001,"C17996","Istamycin C1","C19H37N5O6",431.27440000000001,"M+Na",3]
["Unique",465.2688905,465.27241800000002,"C18948","Bufencarb","(C13H19NO2)2",442.28320000000002,"M+Na",3]
["Multiple",487.30015650000001,487.30301800000001,"C16496","3-Epiecdysone","C27H44O6",464.31380000000001,"M+Na",3]
["Multiple",487.30015650000001,487.30301800000001,"C00477","Ecdysone","C27H44O6",464.31380000000001,"M+Na",3]
["Multiple",487.30015650000001,487.30301800000001,"C08835","Ponasterone A","C27H44O6",464.31380000000001,"M+Na",3]
["Multiple",503.29731279999999,503.29791799999998,"C08811","Ajugasterone C","C27H44O7",480.30869999999999,"M+Na",3]
["Multiple",503.29731279999999,503.29791799999998,"C16992","Callinecdysone A","C27H44O7",480.30869999999999,"M+Na",3]
["Multiple",503.29731279999999,503.29791799999998,"C02633","20-Hydroxyecdysone;Crustecdysone;Ecdysterone","C27H44O7",480.30869999999999,"M+Na",3]
["Multiple",503.29731279999999,503.29791799999998,"C08838","Pterosterone","C27H44O7",480.30869999999999,"M+Na",3]
["Multiple",503.29731279999999,503.29791799999998,"C16499","26-Hydroxyecdysone","C27H44O7",480.30869999999999,"M+Na",3]
["Multiple",503.29731279999999,503.29791799999998,"C08819","Inokosterone","C27H44O7",480.30869999999999,"M+Na",3]
["Multiple",516.30943579999996,516.31181800000002,"C12065","Tiamulin","C28H47NO4S",493.32260000000002,"M+Na",3]
["Unique",517.00788079999995,517.00861799999996,"C19293","Ponceau 3R","C19H16N2O7S2. 2Na",494.01940000000002,"M+Na",3]
["Unique",523.3003099,523.30301799999995,"C08807","11-Deoxocucurbitacin I","C30H44O6",500.31380000000001,"M+Na",3]
["Multiple",524.98187419999999,524.97731799999997,"C19358","Carmoisine;Azorubin;C.I. Acid Red 14","C20H12N2O7S2. 2Na",501.98809999999997,"M+Na",3]
["Unique",546.25854679999998,546.25741800000003,"C11309","Calcimycin;Ionophore A23187","C29H37N3O6",523.26819999999998,"M+Na",3]
["Multiple",555.29722879999997,555.29281800000001,"C08801","Cucurbitacin J","C30H44O8",532.30359999999996,"M+Na",3]
["Multiple",555.29722879999997,555.29621799999995,"C05468","5beta-Cyprinolsulfate","C27H48O8S",532.30700000000002,"M+Na",3]
["Multiple",555.29722879999997,555.29281800000001,"C09185","Simplexin","C30H44O8",532.30359999999996,"M+Na",3]
["Unique",556.12410680000005,556.12731799999995,"C17752","cyclo-Dopa-glucuronylglucoside","C21H27NO15",533.13810000000001,"M+Na",3]
["Unique",596.26787309999997,596.26911800000005,"C03183","Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-[(Phenylmethoxy)carbonyl]glycyl-L-prolyl-L-leucylglycyl-L-proline","C28H39N5O8",573.2799,"M+Na",3]
["Unique",597.26953479999997,597.26701800000001,"C08849","Asclepin","C31H42O10",574.27779999999996,"M+Na",3]
["Unique",664.53092700000002,664.52751799999999,"C13845","1,3-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-1,3-diol","C41H71NO4",641.53830000000005,"M+Na",3]
["Multiple",745.40884329999994,745.413318,"C17038","Ophiopogonin B","C39H62O12",722.42409999999995,"M+Na",3]
["Multiple",745.40884329999994,745.413318,"C08919","Yamogenin 3-O-neohesperidoside","C39H62O12",722.42409999999995,"M+Na",3]
["Multiple",794.42351759999997,794.42971799999998,"C14058","Leucomycin A5","C39H65NO14",771.44050000000004,"M+Na",3]
["Multiple",794.42351759999997,794.42971799999998,"C01687","Tylosin B;Desmycosin","C39H65NO14",771.44050000000004,"M+Na",3]
["Unique",799.49872159999995,799.49671799999999,"C11314","Oligomycin D;Rutamycin","C44H72O11",776.50750000000005,"M+Na",3]
["Unique",846.43599800000004,846.43991800000003,"C15732","Chivosazole E","C46H65NO12",823.45069999999998,"M+Na",3]
["Unique",850.43230519999997,850.43951800000002,"C15704","Tubulysin D","C43H65N5O9S",827.45029999999997,"M+Na",3]
["Unique",885.66947779999998,885.67311800000004,"C11378","Ubiquinone-10;Ubidecarenone;Coenzyme Q10","C59H90O4",862.68389999999999,"M+Na",3]

{"sheet":"Time course semi-immune volunt.","index":2,"n_rows":463,"n_cols":9,"rows_kept":463,"cut":false,"hidden":false,"merged":[]}
["Supplementary Data 1. Putative annotation of differentially abundant metabolite features along the course of P. vivax infection in semi-immune volunteers."]
["MatchCategory","mz","theoretical.mz","KEGGID","Name","Formula","MonoisotopicMass","Adduct","Annotation_level"]
["Unique",90.055258370000004,90.054975999999996,"C01401","Alanine;2-Aminopropionic acid;2-Aminopropanoic acid","C3H7NO2",89.047700000000006,"M+H",1]
["Unique",130.0503277,130.04987600000001,"C01877","Oxoproline;Oxo-L-proline","C5H7NO3",129.04259999999999,"M+H",1]
["Unique",131.11833369999999,131.117876,"C02714","N-Acetylputrescine","C6H14N2O",130.11060000000001,"M+H",1]
["Unique",162.1129971,162.11247599999999,"C00318","L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium hydroxide, inner salt;Levocarnitine;(R)-Carnitine","C7H15NO3",161.1052,"M+H",1]
["Multiple",174.11305999999999,174.11247599999999,"C02710","N-Acetyl-L-leucine","C8H15NO3",173.1052,"M+H",1]
["Unique",176.06637019999999,176.066576,"C03139","N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid","C5H9N3O4",175.05930000000001,"M+H",1]
["Multiple",220.11864829999999,220.117976,"C00864","Pantothenate;Pantothenic acid;(R)-Pantothenate","C9H17NO5",219.11070000000001,"M+H",1]
["Multiple",227.11452270000001,227.113876,"C00386","Carnosine;Nalpha-(beta-alanyl)-L-histidine","C9H14N4O3",226.10659999999999,"M+H",1]
["Unique",87.091927139999996,87.091676000000007,"C07973","Piperazine;Diethylenediamine","C4H10N2",86.084400000000002,"M+H",3]
["Multiple",89.059943320000002,89.059675999999996,"C00849","Ethyl acetate","C4H8O2",88.052400000000006,"M+H",3]
["Multiple",89.059943320000002,89.059675999999996,"C00246","Butanoic acid;Butanoate;Butyrate;Butyric acid","C4H8O2",88.052400000000006,"M+H",3]
["Multiple",89.059943320000002,89.059675999999996,"C14440","1,4-Dioxane;p-Dioxane","C4H8O2",88.052400000000006,"M+H",3]
["Multiple",89.059943320000002,89.059675999999996,"C01769","(S)-Acetoin;(S)-2-Acetoin","C4H8O2",88.052400000000006,"M+H",3]
["Multiple",89.059943320000002,89.059675999999996,"C02632","2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate","C4H8O2",88.052400000000006,"M+H",3]
["Multiple",89.059943320000002,89.059675999999996,"C00810","(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one","C4H8O2",88.052400000000006,"M+H",3]
["Multiple",89.059943320000002,89.059675999999996,"C00466","Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol","C4H8O2",88.052400000000006,"M+H",3]
["Multiple",89.071188750000005,89.070976000000002,"C16364","N,N'-Dimethylurea;1,3-Dimethylurea","C3H8N2O",88.063699999999997,"M+H",3]
["Multiple",89.071188750000005,89.070976000000002,"C19281","N-Nitrosomethylethylamine","C3H8N2O",88.063699999999997,"M+H",3]
["Multiple",89.071188750000005,89.070976000000002,"C19779","beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide","C3H8N2O",88.063699999999997,"M+H",3]
["Multiple",97.065119449999997,97.064775999999995,"C19249","2,4-Hexadienal;(E,E)-2,4-Hexadienal","C6H8O",96.057500000000005,"M+H",3]
["Multiple",97.065119449999997,97.064775999999995,"C02395","Cyclohex-2-enone;2-Cyclohexen-1-one","C6H8O",96.057500000000005,"M+H",3]
["Multiple",102.1280367,102.12767599999999,"C14691","Triethylamine;N,N-Diethylethanamine","C6H15N",101.1204,"M+H",3]
["Multiple",102.1280367,102.12767599999999,"C08306","Hexylamine;1-Hexanamine","C6H15N",101.1204,"M+H",3]
["Multiple",106.9509219,106.950676,"C18765","Sodium chlorate","O3Cl. Na",105.9434,"M+H",3]
["Multiple",106.9509219,106.95061800000001,"C01485","Chloric acid;Chlorate","HClO3",83.961399999999998,"M+Na",3]
["Unique",109.1015158,109.101176,"C19310","4-Vinylcyclohexene;4-Vinyl-1-cyclohexene","C8H12",108.0939,"M+H",3]
["Multiple",111.0444133,111.044076,"C00530","Hydroquinone;p-Benzenediol;1,4-Benzenediol;1,4-Dihydroxybenzene;Benzene-1,4-diol;Quinol;4-Hydroxyphenol","C6H6O2",110.0368,"M+H",3]
["Multiple",111.0444133,111.044076,"C15571","Catechol","C6H6O2",110.0368,"M+H",3]
["Multiple",111.0444133,111.044076,"C11115","5-Methyl-2-furaldehyde;5-Methyl-2-furfural","C6H6O2",110.0368,"M+H",3]
["Multiple",111.0444133,111.044076,"C00090","Catechol;1,2-Benzenediol;o-Benzenediol;1,2-Dihydroxybenzene;Brenzcatechin;Pyrocatechol","C6H6O2",110.0368,"M+H",3]
["Multiple",111.0444133,111.044076,"C01785","Benzenediol","C6H6O2",110.0368,"M+H",3]
["Multiple",111.0444133,111.044076,"C01751","Resorcinol;Resorcin;1,3-Benzenediol;1,3-Dihydroxybenzene;m-Hydroquinone","C6H6O2",110.0368,"M+H",3]
["Multiple",112.956215,112.95557599999999,"C14859","Chloroacetyl chloride","C2H2Cl2O",111.9483,"M+H",3]
["Multiple",112.956215,112.95557599999999,"C14858","2,2-Dichloroacetaldehyde","C2H2Cl2O",111.9483,"M+H",3]
["Multiple",112.956215,112.95557599999999,"C14857","1,1-Dichloroethylene epoxide;2,2-Dichlorooxirane","C2H2Cl2O",111.9483,"M+H",3]
["Multiple",113.0348611,113.034576,"C18474","Maleic hydrazide","C4H4N2O2",112.0273,"M+H",3]
["Multiple",113.0348611,113.034576,"C00106","Uracil","C4H4N2O2",112.0273,"M+H",3]
["Multiple",117.0550356,117.054576,"C00141","3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid","C5H8O3",116.04730000000001,"M+H",3]
["Multiple",117.0550356,117.054576,"C02233","3-Oxopentanoic acid;3-Oxopentanoate","C5H8O3",116.04730000000001,"M+H",3]
["Multiple",117.0550356,117.054576,"C06255","2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid","C5H8O3",116.04730000000001,"M+H",3]
["Multiple",117.0550356,117.054576,"C03273","5-Oxopentanoate;Glutarate semialdehyde","C5H8O3",116.04730000000001,"M+H",3]
["Multiple",117.0550356,117.054918,"C02724","N-Methylpyridinium","C6H8N",94.065700000000007,"M+Na",3]
["Multiple",121.1014828,121.101176,"C14518","1,2,3-Trimethylbenzene;Hemimellitene","C9H12",120.0939,"M+H",3]
["Multiple",121.1014828,121.101176,"C14396","Cumene;Isopropylbenzene","C9H12",120.0939,"M+H",3]
["Multiple",121.1014828,121.101176,"C14508","Mesitylene;1,3,5-Trimethylbenzene","C9H12",120.0939,"M+H",3]
["Multiple",121.1014828,121.101176,"C14572","2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene","C9H12",120.0939,"M+H",3]
["Multiple",121.1014828,121.101176,"C14522","3-Ethyltoluene;1-Methyl-3-ethylbenzene","C9H12",120.0939,"M+H",3]
["Multiple",121.1014828,121.101176,"C14533","1,2,4-Trimethylbenzene;Pseudocumene","C9H12",120.0939,"M+H",3]
["Multiple",123.0444119,123.044076,"C00180","Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid","C7H6O2",122.0368,"M+H",3]
["Multiple",123.0444119,123.044076,"C00539","Aromatic acid;Aromatic carboxylic acid","C7H6O2",122.0368,"M+H",3]
["Multiple",123.0444119,123.044076,"C03067","3-Hydroxybenzaldehyde","C7H6O2",122.0368,"M+H",3]
["Multiple",123.0444119,123.044076,"C15474","Tropolone","C7H6O2",122.0368,"M+H",3]
["Multiple",123.0444119,123.044076,"C06202","Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde","C7H6O2",122.0368,"M+H",3]
["Multiple",123.0444119,123.044076,"C00633","4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde","C7H6O2",122.0368,"M+H",3]
["Unique",124.956756,124.957876,"C07295","Methanearsonous acid;Methylarsonite","CH5AsO2",123.95059999999999,"M+H",3]
["Unique",128.9511425,128.95047600000001,"C11149","Dichloroacetate","C2H2Cl2O2",127.9432,"M+H",3]
["Unique",130.96685550000001,130.96607599999999,"C14860","2,2-Dichloro-1,1-ethanediol","C2H4Cl2O2",129.9588,"M+H",3]
["Unique",137.000474,136.99911800000001,"C18773","Ammonium sulfamate","NH4SO3NH2",114.0099,"M+Na",3]
["Multiple",138.0554358,138.05497600000001,"C00108","Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate","C7H7NO2",137.04769999999999,"M+H",3]
["Multiple",138.0554358,138.05607599999999,"C15533","4-Fluoro-L-threonine","C4H8FNO3",137.0488,"M+H",3]
["Multiple",138.0554358,138.05497600000001,"C01004","N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine","C7H7NO2",137.04769999999999,"M+H",3]
["Multiple",138.0554358,138.05497600000001,"C00568","4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate","C7H7NO2",137.04769999999999,"M+H",3]
["Multiple",138.0554358,138.05497600000001,"C14394","4-Nitrotoluene;1-Methyl-4-nitrobenzene","C7H7NO2",137.04769999999999,"M+H",3]
["Multiple",138.0554358,138.05497600000001,"C19486","3-Nitrotoluene","C7H7NO2",137.04769999999999,"M+H",3]
["Multiple",138.0554358,138.05497600000001,"C19597","2-Nitrotoluene","C7H7NO2",137.04769999999999,"M+H",3]
["Multiple",140.9961289,140.994776,"C00227","Acetyl phosphate","C2H5O5P",139.98750000000001,"M+H",3]
["Multiple",140.9961289,140.994776,"C05682","Phosphonoacetate;Phosphonoacetic acid;Fosfonet","C2H5O5P",139.98750000000001,"M+H",3]
["Unique",142.96737529999999,142.96607599999999,"C18600","Dalapon;2,2-DPA;2,2-Dichloropropanoic acid","C3H4Cl2O2",141.9588,"M+H",3]
["Unique",142.97803709999999,142.977318,"C00957","Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate","C3H4O3S",119.9881,"M+Na",3]
["Multiple",144.1024061,144.101876,"C10172","Stachydrine;Proline betaine","C7H13NO2",143.09460000000001,"M+H",3]
["Multiple",144.1024061,144.101876,"C04114","(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine","C7H13NO2",143.09460000000001,"M+H",3]
["Multiple",145.05004439999999,145.049576,"C19822","1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M","C6H8O4",144.04230000000001,"M+H",3]
["Multiple",145.05004439999999,145.049576,"C02295","Methylitaconate;2-Methylene-3-methylsuccinate","C6H8O4",144.04230000000001,"M+H",3]
["Multiple",145.05004439999999,145.049576,"C00922","2,3-Dimethylmaleate;Dimethylmaleic acid","C6H8O4",144.04230000000001,"M+H",3]
["Multiple",145.05004439999999,145.049576,"C02930","2-Methyleneglutarate;alpha-Methylene glutarate","C6H8O4",144.04230000000001,"M+H",3]
["Multiple",145.05004439999999,145.049576,"C19821","2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin","C6H8O4",144.04230000000001,"M+H",3]
["Multiple",145.05004439999999,145.049576,"C01757","Triacetate;3,5-Dioxo-hexanoic acid","C6H8O4",144.04230000000001,"M+H",3]
["Multiple",145.05004439999999,145.049576,"C19826","1,5-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one","C6H8O4",144.04230000000001,"M+H",3]
["Multiple",145.1228265,145.122276,"C06423","Octanoic acid;Caprylic acid;Octylic acid","C8H16O2",144.11500000000001,"M+H",3]
["Multiple",145.1228265,145.122276,"C07185","Valproic acid","C8H16O2",144.11500000000001,"M+H",3]
["Unique",148.0609365,148.06047599999999,"C00302","Glutamate;Glutaminic acid;2-Aminoglutaric acid","C5H9NO4",147.0532,"M+H",3]
["Multiple",149.05455509999999,149.05567600000001,"C20631","(2S,3S)-3-Hydroxyasparagine","C4H8N2O4",148.04839999999999,"M+H",3]
["Multiple",149.05455509999999,149.05567600000001,"C03015","O-Carbamoyl-L-serine","C4H8N2O4",148.04839999999999,"M+H",3]
["Multiple",149.05455509999999,149.05567600000001,"C03124","beta-L-Aspartylhydroxamate","C4H8N2O4",148.04839999999999,"M+H",3]
["Multiple",149.05455509999999,149.054618,"C08737","Melamine;2,4,6-Triamino-1,3,5-triazine","C3H6N6",126.0654,"M+Na",3]
["Multiple",150.05886709999999,150.05827600000001,"C01733","Methionine;2-Amino-4-(methylthio)butyric acid","C5H11NO2S",149.05099999999999,"M+H",3]
["Unique",150.1129669,150.11247599999999,"C06771","Triethanolamine;Trolamine","C6H15NO3",149.1052,"M+H",3]
["Unique",151.06213070000001,151.06097600000001,"C08373","Dipropyl disulfide;n-Propyl disulfide","C6H14S2",150.05369999999999,"M+H",3]
["Unique",152.01464089999999,152.01401799999999,"C16817","Goitrin","C5H7NOS",129.0248,"M+Na",3]
["Multiple",152.1074931,152.106976,"C03711","N-Methylphenylethanolamine;alpha-[(Methylamino)methyl]-benzyl alcohol","C9H13NO",151.09970000000001,"M+H",3]
["Multiple",152.1074931,152.106976,"C11776","alpha-Methyl-m-tyramine;Gepefrine","C9H13NO",151.09970000000001,"M+H",3]
["Multiple",152.1074931,152.106976,"C08300","D-Cathine;Cathine;(+)-Norpseudoephedrine","C9H13NO",151.09970000000001,"M+H",3]
["Multiple",152.1074931,152.106976,"C10158","Mearsine","C9H13NO",151.09970000000001,"M+H",3]
["Multiple",152.1074931,152.106976,"C16719","(-)-Norephedrine;l-Phenylpropanolamine","C9H13NO",151.09970000000001,"M+H",3]
["Multiple",152.1074931,152.106976,"C02442","N-Methyltyramine","C9H13NO",151.09970000000001,"M+H",3]
["Multiple",152.1074931,152.106976,"C02343","(+)-Norephedrine;d-Norephedrine;Norephedrine","C9H13NO",151.09970000000001,"M+H",3]
["Multiple",152.1074931,152.106976,"C07911","Phenylpropanolamine;(+-)-Phenylpropanolamine;(R*,S*)-(+-)-alpha-(1-Aminoethyl)benzenemethanol;(+-)-Norephedrine","C9H13NO",151.09970000000001,"M+H",3]
["Unique",153.09149339999999,153.09097600000001,"C01014","3-Isopropylcatechol","C9H12O2",152.08369999999999,"M+H",3]
["Unique",156.99117089999999,156.989676,"C00988","2-Phosphoglycolate;Phosphoglycolic acid","C2H5O6P",155.98240000000001,"M+H",3]
["Multiple",158.08175130000001,158.081176,"C07411","Paramethadione","C7H11NO3",157.07390000000001,"M+H",3]
["Multiple",158.08175130000001,158.081176,"C17361","2-Hydroxyethylclavam;Hydroxyethylclavam","C7H11NO3",157.07390000000001,"M+H",3]
["Multiple",158.08175130000001,158.081176,"C17724","Ethadione","C7H11NO3",157.07390000000001,"M+H",3]
["Multiple",160.03665649999999,160.03691800000001,"C00568","4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate","C7H7NO2",137.04769999999999,"M+Na",3]
["Multiple",160.03665649999999,160.03691800000001,"C00108","Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate","C7H7NO2",137.04769999999999,"M+Na",3]
["Multiple",160.03665649999999,160.03691800000001,"C01004","N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine","C7H7NO2",137.04769999999999,"M+Na",3]
["Multiple",160.03665649999999,160.03691800000001,"C19597","2-Nitrotoluene","C7H7NO2",137.04769999999999,"M+Na",3]
["Multiple",160.03665649999999,160.03691800000001,"C19486","3-Nitrotoluene","C7H7NO2",137.04769999999999,"M+Na",3]
["Multiple",160.03665649999999,160.03691800000001,"C14394","4-Nitrotoluene;1-Methyl-4-nitrobenzene","C7H7NO2",137.04769999999999,"M+Na",3]
["Multiple",160.03665649999999,160.03801799999999,"C15533","4-Fluoro-L-threonine","C4H8FNO3",137.0488,"M+Na",3]
["Multiple",160.09725739999999,160.09677600000001,"C08269","(-)-Betonicine;Betonicine","C7H13NO3",159.08949999999999,"M+H",3]
["Multiple",160.09725739999999,160.09677600000001,"C03087","5-Acetamidopentanoate","C7H13NO3",159.08949999999999,"M+H",3]
["Multiple",160.09725739999999,160.09677600000001,"C10850","Calystegin A3;Calystegine A3","C7H13NO3",159.08949999999999,"M+H",3]
["Multiple",160.09725739999999,160.09677600000001,"C10151","3-Hydroxystachydrine","C7H13NO3",159.08949999999999,"M+H",3]
["Unique",163.98441969999999,163.983476,"C14764","2-Thiophenesulfonamide","C4H5NO2S2",162.97620000000001,"M+H",3]
["Unique",163.9910951,163.99051800000001,"C18667","Methamidophos","C2H8NO2PS",141.00129999999999,"M+Na",3]
["Unique",167.9824528,167.98381800000001,"C19324","2-Amino-5-nitrothiazole;Aminonitrothiazole","C3H3N3O2S",144.99459999999999,"M+Na",3]
["Multiple",168.077271,168.076776,"C16397","2,6-Diamino-4-nitrotoluene","C7H9N3O2",167.06950000000001,"M+H",3]
["Multiple",168.077271,168.076776,"C16396","2,4-Diamino-6-nitrotoluene","C7H9N3O2",167.06950000000001,"M+H",3]
["Unique",169.0864823,169.086276,"C06459","N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate","C5H15NO3P",168.07900000000001,"M+H",3]
["Multiple",170.0969528,170.09637599999999,"C11016","Diphenylamine;N,N-Diphenylamine","C12H11N",169.0891,"M+H",3]
["Multiple",170.0969528,170.09637599999999,"C19319","5-Aminoacenaphthene;5-Acenaphthenamine","C12H11N",169.0891,"M+H",3]
["Multiple",170.0969528,170.09637599999999,"C10998","4-Aminobiphenyl","C12H11N",169.0891,"M+H",3]
["Multiple",172.04084499999999,172.04021800000001,"C01733","Methionine;2-Amino-4-(methylthio)butyric acid","C5H11NO2S",149.05099999999999,"M+Na",3]
["Multiple",172.04084499999999,172.04021800000001,"C00073","L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid","C5H11NO2S",149.05099999999999,"M+Na",3]
["Multiple",172.04084499999999,172.04021800000001,"C00855","D-Methionine;D-2-Amino-4-(methylthio)butyric acid","C5H11NO2S",149.05099999999999,"M+Na",3]
["Multiple",172.04084499999999,172.04021800000001,"C07418","Penicillamine","C5H11NO2S",149.05099999999999,"M+Na",3]
["Multiple",174.12830579999999,174.12767600000001,"C04599","1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine;MPTP","C12H15N",173.12039999999999,"M+H",3]
["Multiple",174.12830579999999,174.12767600000001,"C15476","Norselegiline","C12H15N",173.12039999999999,"M+H",3]
["Multiple",176.99686539999999,176.998076,"C19399","2,6-Dichloro-para-phenylenediamine;2,6-Dichloro-1,4-benzenediamine","C6H6Cl2N2",175.99080000000001,"M+H",3]
["Multiple",176.99686539999999,176.998076,"C08171","Sodium thiosalicylate;2-Mercapto-benzoic acid, monosodium salt","C7H5O2S. Na",175.99080000000001,"M+H",3]
["Multiple",177.0916837,177.09097600000001,"C14102","cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene","C11H12O2",176.08369999999999,"M+H",3]
["Multiple",177.0916837,177.09097600000001,"C14083","cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene","C11H12O2",176.08369999999999,"M+H",3]
["Multiple",177.0916837,177.09097600000001,"C14111","5,6,7,8-Tetrahydro-2-naphthoic acid","C11H12O2",176.08369999999999,"M+H",3]
["Multiple",177.0916837,177.09097600000001,"C10389","Prenylbenzoquinone","C11H12O2",176.08369999999999,"M+H",3]
["Multiple",177.0916837,177.09097600000001,"C06359","Ethyl cinnamate;3-Phenylpropenoic acid ethyl","C11H12O2",176.08369999999999,"M+H",3]
["Multiple",177.0916837,177.09097600000001,"C08453","Lachnophyllum ester;2-Decene-4,6-diynoic acid, methyl ester, (E)-","C11H12O2",176.08369999999999,"M+H",3]
["Multiple",177.0916837,177.09097600000001,"C12299","Cinnamyl acetate;3-Phenyl-2-propenyl acetate","C11H12O2",176.08369999999999,"M+H",3]
["Unique",177.10064729999999,177.10227599999999,"C00780","Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine","C10H12N2O",176.095,"M+H",1]
["Multiple",177.1238184,177.12501800000001,"C00843","(-)-Menthone;l-Menthone;p-Menthan-3-one","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11410","(1R,2S,4S)- Neoiso-dihydrocarveol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C01411","Borneol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C03039","(+)-trans-Piperitenol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C01500","Geraniol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C01765","(+)-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R,2S,4R)-(+)-Borneol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C01766","(-)-Borneol;l-Borneol;(1S,2R,4S)-(-)-Borneol;Linderol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C09844","1,8-Cineole;1,8-Cineol;Eucalyptol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C02344","(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C02462","Sabinene hydrate","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C02484","(+)-trans-Pulegol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C09871","Nerol;(Z)-3,7-Dimethylocta-2,6-dien-1-ol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C09902","(R)-(+)-alpha-Terpineol;(+)-alpha-Terpineol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11400","(1S,2R,4R)-Neoiso-dihydrocarveol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C03985","3,7-Dimethylocta-1,6-dien-3-ol;Linalool","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C16909","1,4-Cineole;1,4-Epoxy-p-menthane","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11384","(S)-(-)-Citronellal;(S)-3,7-Dimethyloct-6-enal","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11388","(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11389","(+)-Linalool;(S)-(+)-Linalool;(3S)-Linalool","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11390","(+)-Menthone","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11393","(-)-alpha-Terpineol;(L)-alpha-Terpineol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C09848","(R)-(+)-Citronellal","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11396","(1R,2R,4R)-Dihydrocarveol;(-)-Dihydrocarveol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11397","(1R,2S,4R)-Neo-dihydrocarveol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11399","(1S,2S,4R)-Iso-dihydrocarveol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11413","(1S,2S,4S)-Dihydrocarveol;(+)-Dihydrocarveol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C18017","8-p-Menthen-2-ol;1,6-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11411","(1R,2R,4S)-Iso-dihydrocarveol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11416","(1S,2R,4S)-Neo-dihydrocarveol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C17384","Citronellal","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C11952","(+)-Isomenthone","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C17125","(-)-Isomenthone;l-Isomenthone","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C17518","gamma-Terpineol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C17611","Chrysanthemol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C16772","alpha-Terpineol;dl-alpha-Terpineol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C17517","beta-Terpineol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C17073","Terpineol-4;Terpinen-4-ol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",177.1238184,177.12501800000001,"C20261","(+)-Thujan-3-ol","C10H18O",154.13579999999999,"M+Na",3]
["Multiple",178.02470869999999,178.02391800000001,"C04126","L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate","C3H10NO4P",155.03469999999999,"M+Na",3]
["Multiple",178.02470869999999,178.02391800000001,"C01210","N-Methylethanolamine phosphate","C3H10NO4P",155.03469999999999,"M+Na",3]
["Multiple",178.02470869999999,178.02391800000001,"C04122","D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate","C3H10NO4P",155.03469999999999,"M+Na",3]
["Multiple",179.14360249999999,179.14307600000001,"C14465","4-n-Hexylphenol","C12H18O",178.13579999999999,"M+H",3]
["Multiple",179.14360249999999,179.14307600000001,"C07523","Propofol;2,6-Diisopropylphenol","C12H18O",178.13579999999999,"M+H",3]
["Unique",181.12294589999999,181.122276,"C03929","3-tert-Butyl-5-methylcatechol","C11H16O2",180.11500000000001,"M+H",3]
["Unique",181.15925279999999,181.15867600000001,"C08375","(3Z,6Z,9Z)-3,6,9-Dodecatrien-1-ol;(Z,Z,Z)-3,6,9-Dodecatrien-1-ol","C12H20O",180.1514,"M+H",3]
["Multiple",182.09308089999999,182.09427600000001,"C08201","Acetylcholine chloride","C7H16NO2. Cl",181.08699999999999,"M+H",3]
["Multiple",182.09308089999999,182.09401800000001,"C07414","Pargyline","C11H13N",159.10480000000001,"M+Na",3]
["Multiple",183.08507180000001,183.086276,"C01489","D-Iditol","C6H14O6",182.07900000000001,"M+H",3]
["Multiple",183.08507180000001,183.086276,"C01697","Galactitol;Dulcitol;Dulcose","C6H14O6",182.07900000000001,"M+H",3]
["Multiple",183.08507180000001,183.086276,"C01507","L-Iditol","C6H14O6",182.07900000000001,"M+H",3]
["Multiple",183.08507180000001,183.086276,"C00392","Mannitol;D-Mannitol","C6H14O6",182.07900000000001,"M+H",3]
["Multiple",183.08507180000001,183.086276,"C01722","L-Glucitol;L-Sorbitol;D-Gulitol","C6H14O6",182.07900000000001,"M+H",3]
["Multiple",183.08507180000001,183.086276,"C00794","D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol","C6H14O6",182.07900000000001,"M+H",3]
["Multiple",183.08507180000001,183.08661799999999,"C02636","3-Dehydrocarnitine;3-Carboxy-N,N,N-trimethyl-2-oxo-1-propanaminium","C7H14NO3",160.09739999999999,"M+Na",3]
["Multiple",186.11308399999999,186.11247599999999,"C20673","N-Isovaleryl-L-homoserine lactone","C9H15NO3",185.1052,"M+H",3]
["Multiple",186.11308399999999,186.11247599999999,"C12449","Pseudoecgonine","C9H15NO3",185.1052,"M+H",3]
["Multiple",186.11308399999999,186.11247599999999,"C10858","Ecgonine","C9H15NO3",185.1052,"M+H",3]
["Multiple",186.11308399999999,186.11247599999999,"C10356","Otonecine;(1R,4beta,7abeta)-2,3,5,7a-Tetrahydro-1,7a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium","C9H15NO3",185.1052,"M+H",3]
["Unique",191.04092259999999,191.04271800000001,"C19469","5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline","C7H8N2O3",168.05350000000001,"M+Na",3]
["Unique",193.00701430000001,193.00591800000001,"C06607","Diethylthiophosphoric acid;DETP","C4H11O3PS",170.01669999999999,"M+Na",3]
["Unique",194.02268849999999,194.024618,"C14412","4-Toluenesulfonamide","C7H9NO2S",171.03540000000001,"M+Na",3]
["Unique",195.07707980000001,195.07801799999999,"C16928","Capillone;1-Phenyl-2,4-hexadiene-1-one","C12H12O",172.08879999999999,"M+Na",3]
["Unique",206.8211866,206.82067599999999,"C14692","Chlorodibromomethane;Dibromochloromethane","CHBr2Cl",205.8134,"M+H",3]
["Multiple",207.1026085,207.10157599999999,"C04000","Benzyl 2-methyl-3-oxobutanoate","C12H14O3",206.0943,"M+H",3]
["Multiple",207.1026085,207.10157599999999,"C14567","Acetyleugenol","C12H14O3",206.0943,"M+H",3]
["Multiple",207.1026085,207.10157599999999,"C10476","p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate","C12H14O3",206.0943,"M+H",3]
["Multiple",207.1026085,207.10157599999999,"C12458","3-Dimethylallyl-4-hydroxybenzoate","C12H14O3",206.0943,"M+H",3]
["Unique",209.01365559999999,209.01307600000001,"C19844","(1S,3R)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate","C8H10Cl2O2",208.00579999999999,"M+H",3]
["Unique",213.000247,213.000618,"C05379","Oxalosuccinate;Oxalosuccinic acid","C6H6O7",190.01140000000001,"M+Na",3]
["Multiple",213.09885180000001,213.09687600000001,"C08255","Perseitol;D-glycero-D-galacto-Heptitol","C7H16O7",212.08959999999999,"M+H",3]
["Multiple",213.09885180000001,213.09687600000001,"C08260","Volemitol;D-glycero-D-manno-Heptitol","C7H16O7",212.08959999999999,"M+H",3]
["Multiple",213.09885180000001,213.099818,"C13665","2-Methyl-5-hydroxytryptamine;2-Me 5-HT","C11H14N2O",190.11060000000001,"M+Na",3]
["Multiple",213.09885180000001,213.099818,"C05659","5-Methoxytryptamine;5-MeOT","C11H14N2O",190.11060000000001,"M+Na",3]
["Multiple",213.09885180000001,213.099818,"C06212","N-Methylserotonin","C11H14N2O",190.11060000000001,"M+Na",3]
["Multiple",213.09885180000001,213.099818,"C10763","Cytisine","C11H14N2O",190.11060000000001,"M+Na",3]
["Unique",218.13939500000001,218.138676,"C03017","O-Propanoylcarnitine;O-Propionylcarnitine","C10H19NO4",217.13140000000001,"M+H",3]
["Unique",219.09833889999999,219.097576,"C03738","gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine","C8H14N2O5",218.09030000000001,"M+H",3]
["Multiple",219.13459639999999,219.13397599999999,"C04020","D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine","C9H18N2O4",218.1267,"M+H",3]
["Multiple",219.13459639999999,219.13551799999999,"C09863","Linalyl acetate","C12H20O2",196.1463,"M+Na",3]
["Multiple",219.13459639999999,219.13551799999999,"C12300","alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate","C12H20O2",196.1463,"M+Na",3]
["Multiple",219.13459639999999,219.13551799999999,"C12302","gamma-Terpinyl acetate;Cyclohexanol, 1-methyl-4-(1-methylethylidene)-, 1-acetate;p-Menth-4-en-1-yl acetate","C12H20O2",196.1463,"M+Na",3]
["Multiple",219.13459639999999,219.13551799999999,"C09837","(1S,2R,4S)-(-)-Bornyl acetate","C12H20O2",196.1463,"M+Na",3]
["Multiple",219.13459639999999,219.13551799999999,"C09861","Geranyl acetate","C12H20O2",196.1463,"M+Na",3]
["Multiple",219.13459639999999,219.13551799999999,"C12301","beta-Terpinyl acetate;Cyclohexanol, 1-methyl-4-(1-methylethenyl)-, 1-acetate","C12H20O2",196.1463,"M+Na",3]
["Multiple",219.13459639999999,219.13551799999999,"C12306","Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate","C12H20O2",196.1463,"M+Na",3]
["Multiple",219.13459639999999,219.13551799999999,"C11338","Bornyl acetate;(1R,2S,4R)-(+)-Bornyl acetate","C12H20O2",196.1463,"M+Na",3]
["Multiple",219.13459639999999,219.13551799999999,"C08486","Ethyl(E,Z)-decadienoate;(2E,4Z)-2,4-Decadienoic acid, ethyl ester;Ethyl trans-2,cis-4-decadienoate","C12H20O2",196.1463,"M+Na",3]
["Multiple",223.08508190000001,223.08421799999999,"C14759","4,4'-Diaminodiphenyl ether;4-Aminophenyl ether;4,4'-Oxybisbenzenamine;4,4'-Oxydianiline","C12H12N2O",200.095,"M+Na",3]
["Multiple",223.08508190000001,223.08421799999999,"C06537","Harmalol","C12H12N2O",200.095,"M+Na",3]
["Multiple",225.061239,225.06187600000001,"C19272","Nifuradene;1-[(5-Nitrofurfurylidene)amino]-2-imidazolidinone","C8H8N4O4",224.05459999999999,"M+H",3]
["Multiple",225.061239,225.06341800000001,"C10744","Vasicinone","C11H10N2O2",202.07419999999999,"M+Na",3]
["Multiple",225.061239,225.06341800000001,"C06732","alpha,beta-Didehydrotryptophan","C11H10N2O2",202.07419999999999,"M+Na",3]
["Multiple",225.061239,225.06111799999999,"C12839","Piperazine phosphate","H3PO4. C4H10N2. H2O",202.0719,"M+Na",3]
["Multiple",226.0457534,226.04587599999999,"C07999","Furazolidone","C8H7N3O5",225.0386,"M+H",3]
["Multiple",226.0457534,226.04741799999999,"C10127","Anibine","C11H9NO3",203.0582,"M+Na",3]
["Multiple",226.0457534,226.04741799999999,"C00331","Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate","C11H9NO3",203.0582,"M+Na",3]
["Unique",226.9522427,226.95087599999999,"C12835","2,5-Dichloro-4-oxohex-2-enedioate","C6H4Cl2O5",225.9436,"M+H",3]
["Unique",228.95646930000001,228.954218,"C11000","Dichloran;Dicloran;2,6-Dichloro-4-nitroaniline;DCNA","C6H4Cl2N2O2",205.965,"M+Na",3]
["Multiple",232.15492939999999,232.15437600000001,"C02862","O-Butanoylcarnitine","C11H21NO4",231.14709999999999,"M+H",3]
["Multiple",232.15492939999999,232.15437600000001,"C04301","N(alpha)-t-Butoxycarbonyl-L-leucine","C11H21NO4",231.14709999999999,"M+H",3]
["Multiple",235.09321679999999,235.095418,"C19254","MeIQ;2-Amino-3,4-dimethylimidazo[4,5-f]quinoline","C12H12N4",212.1062,"M+Na",3]
["Multiple",235.09321679999999,235.095418,"C14617","Chrysoidine free base;Grasan Chrysoidine","C12H12N4",212.1062,"M+Na",3]
["Multiple",235.09321679999999,235.09411800000001,"C20790","7-Deoxyloganetin","C11H16O4",212.10489999999999,"M+Na",3]
["Unique",235.15466760000001,235.15537599999999,"C02253","Benzoylagmatine","C12H18N4O",234.1481,"M+H",3]
["Multiple",241.1555271,241.15467599999999,"C07807","Pirbuterol","C12H20N2O3",240.1474,"M+H",3]
["Multiple",241.1555271,241.156318,"C09938","(+)-8-Hydroxycalamenene","C15H22O",218.1671,"M+Na",3]
["Multiple",241.1555271,241.156318,"C09729","alpha-Sinensal","C15H22O",218.1671,"M+Na",3]
["Multiple",241.1555271,241.156318,"C09744","alpha-Vetivone","C15H22O",218.1671,"M+Na",3]
["Multiple",241.1555271,241.156318,"C16966","Germacrone","C15H22O",218.1671,"M+Na",3]
["Multiple",241.1555271,241.156318,"C09745","beta-Vetivone","C15H22O",218.1671,"M+Na",3]
["Multiple",241.1555271,241.156318,"C16779","Dendrolasin","C15H22O",218.1671,"M+Na",3]
["Multiple",241.1555271,241.156318,"C19939","Pentalen-13-al","C15H22O",218.1671,"M+Na",3]
["Multiple",241.1555271,241.156318,"C20308","Artemisinic aldehyde","C15H22O",218.1671,"M+Na",3]
["Multiple",241.1555271,241.156318,"C20262","Zerumbone","C15H22O",218.1671,"M+Na",3]
["Multiple",241.1555271,241.156318,"C19677","Germacra-1(10),4,11(13)-trien-12-al","C15H22O",218.1671,"M+Na",3]
["Multiple",241.1555271,241.156318,"C17501","Cyperotundone;Cyperenone","C15H22O",218.1671,"M+Na",3]
["Multiple",241.1555271,241.156318,"C09737","Solavetivone","C15H22O",218.1671,"M+Na",3]
["Multiple",241.1555271,241.156318,"C17494","Turmerone","C15H22O",218.1671,"M+Na",3]
["Multiple",241.1555271,241.156318,"C17914","Nootkatone","C15H22O",218.1671,"M+Na",3]
["Multiple",241.1555271,241.156318,"C17954","Albaflavenone","C15H22O",218.1671,"M+Na",3]
["Multiple",241.1555271,241.156318,"C09730","beta-Sinensal;2,6-Dimethyl-10-methylene-2,6,11-dodecatrienal","C15H22O",218.1671,"M+Na",3]
["Unique",242.9262038,242.927718,"C01874","2-Iodophenol","C6H5IO",219.9385,"M+Na",3]
["Unique",243.03855239999999,243.037676,"C04111","3-(Phosphoacetylamido)-L-alanine","C5H11N2O7P",242.03039999999999,"M+H",3]
["Multiple",247.09441810000001,247.096476,"C09259","Decursinol","C14H14O4",246.08920000000001,"M+H",3]
["Multiple",247.09441810000001,247.096476,"C17672","Torachrysone","C14H14O4",246.08920000000001,"M+H",3]
["Multiple",247.09441810000001,247.096476,"C09210","(-)-Columbianetin;(R)-Columbianetin","C14H14O4",246.08920000000001,"M+H",3]
["Multiple",247.09441810000001,247.096476,"C09276","Marmesin;(+)-Marmesin","C14H14O4",246.08920000000001,"M+H",3]
["Multiple",247.09441810000001,247.096476,"C19707","(+)-Columbianetin;(S)-Columbianetin","C14H14O4",246.08920000000001,"M+H",3]
["Multiple",247.09441810000001,247.096476,"C09278","Nodakenetin;(-)-Marmesin","C14H14O4",246.08920000000001,"M+H",3]
["Multiple",247.09441810000001,247.09411800000001,"C20417","2,4-Dihydroxy-6-pentylbenzoate;Olivetolic acid","C12H16O4",224.10489999999999,"M+Na",3]
["Multiple",247.09441810000001,247.09411800000001,"C10673","Aspidinol","C12H16O4",224.10489999999999,"M+Na",3]
["Multiple",247.09441810000001,247.095418,"C16038","2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine;PhIP","C13H12N4",224.1062,"M+Na",3]
["Multiple",247.1336182,247.13287600000001,"C09476","7alpha-Hydroxydehydrocostus lactone","C15H18O3",246.12559999999999,"M+H",3]
["Multiple",247.1336182,247.13287600000001,"C02206","alpha-Santonin","C15H18O3",246.12559999999999,"M+H",3]
["Multiple",247.1336182,247.13287600000001,"C09300","Aromaticin","C15H18O3",246.12559999999999,"M+H",3]
["Multiple",247.1336182,247.13287600000001,"C09601","Xanthatin","C15H18O3",246.12559999999999,"M+H",3]
["Multiple",247.1336182,247.13287600000001,"C17912","Isozaluzanin C","C15H18O3",246.12559999999999,"M+H",3]
["Multiple",247.1336182,247.13287600000001,"C09605","Xerantholide","C15H18O3",246.12559999999999,"M+H",3]
["Multiple",247.1336182,247.13287600000001,"C09292","Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-2,11(13)-dien-12-oic acid gamma-lactone","C15H18O3",246.12559999999999,"M+H",3]
["Multiple",247.1336182,247.13287600000001,"C09545","beta-Santonin","C15H18O3",246.12559999999999,"M+H",3]
["Multiple",247.1336182,247.13287600000001,"C09394","Desacetoxymatricarin;Leucodin","C15H18O3",246.12559999999999,"M+H",3]
["Multiple",247.1336182,247.13287600000001,"C17490","Zedoarol","C15H18O3",246.12559999999999,"M+H",3]
["Multiple",247.1336182,247.13287600000001,"C09287","Achillin","C15H18O3",246.12559999999999,"M+H",3]
["Multiple",247.1336182,247.13287600000001,"C09606","Zaluzanin C","C15H18O3",246.12559999999999,"M+H",3]
["Multiple",247.1336182,247.13287600000001,"C17085","Zederone","C15H18O3",246.12559999999999,"M+H",3]
["Unique",253.16521739999999,253.165876,"C10926","Hexazinone","C12H20N4O2",252.15860000000001,"M+H",3]
["Unique",254.1236351,254.124776,"C07417","Penciclovir","C10H15N5O3",253.11750000000001,"M+H",3]
["Unique",256.94499029999997,256.94341800000001,"C03575","2-Iodophenol methyl ether","C7H7IO",233.95419999999999,"M+Na",3]
["Multiple",258.15135770000001,258.14887599999997,"C10591","(+)-Elaeocarpine","C16H19NO2",257.14159999999998,"M+H",3]
["Multiple",258.15135770000001,258.14887599999997,"C12243","(+/-)-gamma-Lycorane","C16H19NO2",257.14159999999998,"M+H",3]
["Multiple",259.07511410000001,259.07467600000001,"C17369","Northienamycin","C10H14N2O4S",258.06740000000002,"M+H",3]
["Multiple",259.07511410000001,259.07291800000002,"C18255","trans-4,5-Dihydroxy-4,5-dihydropyrene;trans-4,5-Pyrenedihydrodiol","C16H12O2",236.08369999999999,"M+Na",3]
["Multiple",259.07511410000001,259.07291800000002,"C18249","cis-4,5-Dihydroxy-4,5-dihydropyrene;cis-4,5-Dihydro-4,5-pyrenediol","C16H12O2",236.08369999999999,"M+Na",3]
["Multiple",265.11915470000002,265.11827599999998,"C05642","Formyl-N-acetyl-5-methoxykynurenamine","C13H16N2O4",264.11099999999999,"M+H",3]
["Multiple",265.11915470000002,265.11827599999998,"C04148","Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine","C13H16N2O4",264.11099999999999,"M+H",3]
["Multiple",265.11915470000002,265.11991799999998,"C14225","Bisphenol B;4,4'-Dihydroxy-2,2-diphenylbutane;2,2-Bis(4-hydroxyphenyl)butane","C16H18O2",242.13069999999999,"M+Na",3]
["Multiple",265.11915470000002,265.11991799999998,"C15069","4,4'-(Butane-1,1-diyl)diphenol;1,1-Bis(4-hydroxyphenyl)butane","C16H18O2",242.13069999999999,"M+Na",3]
["Multiple",265.11915470000002,265.11991799999998,"C15278","4,4'-(2-Methylpropylidene)bisphenol;4,4'-Isobutylidenediphenol","C16H18O2",242.13069999999999,"M+Na",3]
["Multiple",265.11915470000002,265.11991799999998,"C14898","4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone","C16H18O2",242.13069999999999,"M+Na",3]
["Multiple",265.15552380000003,265.15467599999999,"C10497","Feruloylputrescine;Subaphyllin","C14H20N2O3",264.1474,"M+H",3]
["Multiple",265.15552380000003,265.156318,"C08451","Falcarinone;(Z)-1,9-Heptadecadiene-4,6-diyn-3-one","C17H22O",242.1671,"M+Na",3]
["Multiple",265.15552380000003,265.156318,"C17716","Dehydrofalcarinol","C17H22O",242.1671,"M+Na",3]
["Multiple",265.18084850000002,265.179776,"C09657","Dehydrojuvabione;(4R)-4-[(1R)-1,5-Dimethyl-3-oxo-4-hexenyl]-1-cyclohexene-1-carboxylic acid methyl ester","C16H24O3",264.17250000000001,"M+H",3]
["Multiple",265.18084850000002,265.179776,"C17747","5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone","C16H24O3",264.17250000000001,"M+H",3]
["Unique",267.18106990000001,267.18311799999998,"C07913","Xylometazoline","C16H24N2",244.19390000000001,"M+Na",3]
["Unique",275.1484969,275.14781799999997,"C10926","Hexazinone","C12H20N4O2",252.15860000000001,"M+Na",3]
["Multiple",277.1548914,277.156318,"C14972","3-Deoxyestrone;Adopron;Estra-1,3,5(10)-trien-17-one","C18H22O",254.1671,"M+Na",3]
["Multiple",277.1548914,277.156318,"C15082","4-(1-Ethyl-2-phenylbutyl)phenol","C18H22O",254.1671,"M+Na",3]
["Multiple",279.11221549999999,279.11041799999998,"C20520","Albonoursin;(3Z,6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione","C15H16N2O2",256.12119999999999,"M+Na",3]
["Multiple",279.11221549999999,279.114418,"C14134","Triphenylethylene","C20H16",256.12520000000001,"M+Na",3]
["Multiple",279.11221549999999,279.114418,"C19488","7,12-Dimethylbenz[a]anthracene;DMBA","C20H16",256.12520000000001,"M+Na",3]
["Multiple",279.11221549999999,279.11041799999998,"C18774","Ancymidol","C15H16N2O2",256.12119999999999,"M+Na",3]
["Unique",280.17307019999998,280.17297600000001,"C18898","Tiocarbazil;Thiocarbazil","C16H25NOS",279.16570000000002,"M+H",3]
["Unique",283.16355420000002,283.16281800000002,"C07927","Carisoprodol","C12H24N2O4",260.17360000000002,"M+Na",3]
["Unique",286.8346363,286.83621799999997,"C02575","Pentachlorophenol;PCP","C6HCl5O",263.84699999999998,"M+Na",3]
["Unique",288.13508739999997,288.134276,"C13796","SR95531","C15H17N3O3",287.12700000000001,"M+H",3]
["Multiple",295.2274372,295.22677599999997,"C16342","2(R)-HOT;(2R)-(9Z,12Z,15Z)-2-Hydroxyoctadecatri-9,12,15-enoic acid;2(R)-HOTrE","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.2274372,295.22677599999997,"C13798","8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.2274372,295.22677599999997,"C16316","13(S)-HOT;(9Z,11E,15Z)-(13S)-Hydroxyoctadeca-9,11,15-trienoate;(9Z,11E,15Z)-(13S)-13-Hydroxyoctadeca-9,11,15-trienoic acid;(9Z,11E,13S,15Z)-13-Hydroxyoctadeca-9,11,15-trienoic acid;13(S)-HOTrE","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.2274372,295.22677599999997,"C19613","Juvenile hormone I","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.2274372,295.22677599999997,"C14765","13-OxoODE;13-KODE;(9Z,11E)-13-Oxooctadeca-9,11-dienoic acid","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.2274372,295.22677599999997,"C16346","17-Hydroxylinolenic acid;(9Z,12Z,15Z)-17-Hydroxyoctadecatri-9,12,15-enoic acid","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.2274372,295.22677599999997,"C14766","9-OxoODE;9-KODE;(10E,12Z)-9-Oxooctadeca-10,12-dienoic acid","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.2274372,295.22677599999997,"C16326","9(S)-HOT;(9S)-(10E,12Z,15Z)-9-Hydroxyoctadecatri-10,12,15-enoic acid;9(S)-HOTrE","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.2274372,295.22677599999997,"C04594","(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acid;(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoate;13(S)-EOD","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.2274372,295.22677599999997,"C19827","Colneleate;(8E)-9-[(1E,3Z)-Nona-1,3-dien-1-yloxy]non-8-enoate","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.2274372,295.22677599999997,"C04780","8-[(1R,2R)-3-Oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate;OPC-8:0","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.22753469999998,295.22677599999997,"C16326","9(S)-HOT;(9S)-(10E,12Z,15Z)-9-Hydroxyoctadecatri-10,12,15-enoic acid;9(S)-HOTrE","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.22753469999998,295.22677599999997,"C14765","13-OxoODE;13-KODE;(9Z,11E)-13-Oxooctadeca-9,11-dienoic acid","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.22753469999998,295.22677599999997,"C16342","2(R)-HOT;(2R)-(9Z,12Z,15Z)-2-Hydroxyoctadecatri-9,12,15-enoic acid;2(R)-HOTrE","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.22753469999998,295.22677599999997,"C16316","13(S)-HOT;(9Z,11E,15Z)-(13S)-Hydroxyoctadeca-9,11,15-trienoate;(9Z,11E,15Z)-(13S)-13-Hydroxyoctadeca-9,11,15-trienoic acid;(9Z,11E,13S,15Z)-13-Hydroxyoctadeca-9,11,15-trienoic acid;13(S)-HOTrE","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.22753469999998,295.22677599999997,"C04594","(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acid;(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoate;13(S)-EOD","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.22753469999998,295.22677599999997,"C19827","Colneleate;(8E)-9-[(1E,3Z)-Nona-1,3-dien-1-yloxy]non-8-enoate","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.22753469999998,295.22677599999997,"C13798","8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.22753469999998,295.22677599999997,"C04780","8-[(1R,2R)-3-Oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate;OPC-8:0","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.22753469999998,295.22677599999997,"C19613","Juvenile hormone I","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.22753469999998,295.22677599999997,"C16346","17-Hydroxylinolenic acid;(9Z,12Z,15Z)-17-Hydroxyoctadecatri-9,12,15-enoic acid","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.22753469999998,295.22677599999997,"C14766","9-OxoODE;9-KODE;(10E,12Z)-9-Oxooctadeca-10,12-dienoic acid","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",299.1108352,299.11147599999998,"C01961","Thalassemine;L-Thalassemine","C8H19N4O6P",298.10419999999999,"M+H",3]
["Multiple",299.1108352,299.11257599999999,"C10720","Picein","C14H18O7",298.1053,"M+H",3]
["Multiple",301.1422705,301.14347600000002,"C08981","Toxyl angelate","C18H20O4",300.13619999999997,"M+H",3]
["Multiple",301.1422705,301.14347600000002,"C20431","(+)-3'-Hydroxylarreatricin","C18H20O4",300.13619999999997,"M+H",3]
["Multiple",301.1422705,301.14347600000002,"C14739","alpha,alpha'-Diethyl-3,4,3',4'-stilbenetetraol;3,4,3',4'-Tetrahydroxy-alpha,alpha'-diethylstilbene","C18H20O4",300.13619999999997,"M+H",3]
["Multiple",301.1422705,301.14101799999997,"C15205","Diisobutyl phthalate;DIBP","C16H22O4",278.15179999999998,"M+Na",3]
["Multiple",301.1422705,301.14101799999997,"C14214","Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 1,2-benzenedicarboxylate","C16H22O4",278.15179999999998,"M+Na",3]
["Multiple",301.1422705,301.14101799999997,"C03343","2-Ethylhexyl phthalate","C16H22O4",278.15179999999998,"M+Na",3]
["Unique",302.17664400000001,302.17507599999999,"C06967","Dobutamine","C18H23NO3",301.1678,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C07198","Methyltestosterone","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C09148","Oryzalexin A","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C11874","Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C09159","(+)-Pimaric acid;Dextropimaric acid","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C14588","17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C12083","(5Z,7E,9E,14Z,17Z)-Eicosapentaenoic acid;(5Z,7E,9E,14Z,17Z)-Eicosapentaenoate","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C09118","Isopimaric acid","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C06428","(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid;(5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;5,8,11,14,17-Icosapentaenoic acid;(5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoate","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C06087","Abietate;Abietic acid","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C14255","Mibolerone;17-beta-Hydroxy-7-alpha,17-dimethylestr-4-en-3-one","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C12077","Palustric acid;NSC 148945;8,13-Abietadien-18-oic acid","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C15318","17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C15460","17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C15412","17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C11888","Levopimaric acid;L-Pimaric acid","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C11889","Neoabietic acid","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C15017","17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C14490","Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C15003","17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C15008","1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-7-isopropyl-1,4a-dimethyl-1-phenanthrenemethanol","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C15036","2alpha-Methyl-5alpha-androstane-3,17-dione","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C14890","17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C15070","17beta-Hydroxy-1,17-dimethylestr-5(10)-en-3-one","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C15184","17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C15259","17beta-Hydroxy-2alpha,17-dimethylestr-4-en-3-one;2alpha,17-Dimethyl-19-nortestosterone","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C20149","9beta-Pimara-7,15-dien-19-oate","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C20208","syn-Stemoden-19-oate","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C15188","19-Nor-5alpha-pregnane-3,20-dione","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",309.13089200000002,309.13327600000002,"C08483","14-Dihydroxycornestin;Cornexistin","C16H20O6",308.12599999999998,"M+H",3]
["Multiple",309.13089200000002,309.13327600000002,"C09953","Monocerin","C16H20O6",308.12599999999998,"M+H",3]
["Multiple",313.99985240000001,313.998176,"C19066","Chlomethoxyfen","C13H9Cl2NO4",312.99090000000001,"M+H",3]
["Multiple",313.99985240000001,314.00121799999999,"C07886","Brimonidine","C11H10BrN5",291.012,"M+Na",3]
["Unique",314.14747219999998,314.14751799999999,"C09176","Eseridine","C15H21N3O3",291.1583,"M+Na",3]
["Multiple",317.0488259,317.05111799999997,"C17133","Filiformin;(-)-Filiformin","C15H19BrO",294.06189999999998,"M+Na",3]
["Multiple",317.0488259,317.05111799999997,"C17136","Laurinterol","C15H19BrO",294.06189999999998,"M+Na",3]
["Multiple",317.0488259,317.05111799999997,"C17132","Aplysin","C15H19BrO",294.06189999999998,"M+Na",3]
["Multiple",321.99645179999999,321.99667599999998,"C14128","CGH 2466","C14H9Cl2N3S",320.98939999999999,"M+H",3]
["Multiple",321.99645179999999,321.99641800000001,"C04752","2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate;4-Amino-2-methyl-5-diphosphomethylpyrimidine","C6H11N3O7P2",299.00720000000001,"M+Na",3]
["Unique",333.11577030000001,333.11467599999997,"C02087","Tos-Arg-CH2Cl","C13H21ClN4O2S",332.10739999999998,"M+H",3]
["Multiple",335.12600850000001,335.12717600000002,"C08200","Neostigmine methylsulfate","C12H19N2O2. CH3SO4",334.11989999999997,"M+H",3]
["Multiple",335.12600850000001,335.12541800000002,"C09136","Montanin A","C19H20O4",312.13619999999997,"M+Na",3]
["Multiple",335.12600850000001,335.12541800000002,"C10283","4'-Prenyloxyresveratrol","C19H20O4",312.13619999999997,"M+Na",3]
["Multiple",335.12600850000001,335.12541800000002,"C14935","m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid","C19H20O4",312.13619999999997,"M+Na",3]
["Multiple",335.12600850000001,335.12541800000002,"C14211","Butylbenzyl phthalate;Butyl phenylmethyl 1,2-benzenedicarboxylate","C19H20O4",312.13619999999997,"M+Na",3]
["Multiple",336.01114369999999,336.010718,"C16840","Eudistomin G","C15H12BrN3",313.0215,"M+Na",3]
["Multiple",336.01114369999999,336.010718,"C17168","Eudistomin H","C15H12BrN3",313.0215,"M+Na",3]
["Multiple",338.12327260000001,338.12347599999998,"C03868","Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol","C16H19NO7",337.11619999999999,"M+H",3]
["Multiple",338.12327260000001,338.12347599999998,"C04197","Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose","C16H19NO7",337.11619999999999,"M+H",3]
["Unique",340.24886629999997,340.24851799999999,"C07811","Hexocyclium","C20H33N2O",317.2593,"M+Na",3]
["Unique",342.15588750000001,342.15771799999999,"C11560","1-Carbazol-9-yl-3-(3,5-dimethylpyrazol-1-yl)-propan-2-ol","C20H21N3O",319.16849999999999,"M+Na",3]
["Unique",346.02578010000002,346.02731799999998,"C14434","EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate","C14H14NO4PS",323.03809999999999,"M+Na",3]
["Unique",354.19442859999998,354.19107600000001,"C10380","Rosmarinine;Senecionan-11,16-dione, 1,2-dihydro-2,12-dihydroxy-, (1alpha,2alpha)-","C18H27NO6",353.18380000000002,"M+H",3]
["Unique",360.9689305,360.96747599999998,"C19088","Monuron-TCA;Monuron TCA","C9H11ClN2O. C2HCl3O2",359.96019999999999,"M+H",3]
["Unique",363.01777199999998,363.01611800000001,"C11021","Diclofop methyl","C16H14Cl2O4",340.02690000000001,"M+Na",3]
["Multiple",377.2148894,377.21447599999999,"C14973","17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate","C22H32O3S",376.2072,"M+H",3]
["Multiple",377.2148894,377.21227599999997,"C15329","21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione","C22H29FO4",376.20499999999998,"M+H",3]
["Unique",383.2154003,383.21691800000002,"C15450","S 1033;(5Z,9alpha,11alpha,13E)-9,11-Dihydroxyprosta-5,13-dien-1-oic acid monosodium salt","C20H33O4. Na",360.22770000000003,"M+Na",3]
["Unique",385.03690940000001,385.03821799999997,"C13833","NS 1619","C15H8F6N2O2",362.04899999999998,"M+Na",3]
["Multiple",386.1097944,386.11287600000003,"C03431","S-Inosyl-L-homocysteine","C14H19N5O6S",385.10559999999998,"M+H",3]
["Multiple",386.1097944,386.11111799999998,"C16822","9-Aminocamptothecin","C20H17N3O4",363.12189999999998,"M+Na",3]
["Multiple",393.21066999999999,393.207176,"C07413","Paramethasone","C22H29FO5",392.19990000000001,"M+H",3]
["Multiple",393.21066999999999,393.207176,"C06848","Betamethasone","C22H29FO5",392.19990000000001,"M+H",3]
["Multiple",393.21066999999999,393.207176,"C15643","Dexamethasone","C22H29FO5",392.19990000000001,"M+H",3]
["Multiple",393.21066999999999,393.207176,"C15319","9alpha-Fluoro-11beta,17alpha,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione;9alpha-Fluoro-6alpha-methylprednisolone","C22H29FO5",392.19990000000001,"M+H",3]
["Unique",398.34123469999997,398.34177599999998,"C06543","Solanidine","C27H43NO",397.33449999999999,"M+H",3]
["Unique",414.01339300000001,414.01621799999998,"C18344","Adenosine 5'-phosphate disodium","C10H12N5O7P. 2Na",391.02699999999999,"M+Na",3]
["Unique",414.24038810000002,414.240318,"C15163","17-[(Benzylamino)methyl]estra-1,3,5(10)-triene-3,17beta-diol","C26H33NO2",391.25110000000001,"M+Na",3]
["Multiple",415.21260760000001,415.211476,"C10658","Magnoshinin","C24H30O6",414.20420000000001,"M+H",3]
["Multiple",415.21260760000001,415.211476,"C15382","Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate","C24H30O6",414.20420000000001,"M+H",3]
["Multiple",415.21260760000001,415.211476,"C15440","Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate","C24H30O6",414.20420000000001,"M+H",3]
["Multiple",415.21260760000001,415.211476,"C12512","Eplerenone","C24H30O6",414.20420000000001,"M+H",3]
["Multiple",415.21260760000001,415.20911799999999,"C17013","Nigakilactone B;Simalikalactone A;Quassin","C22H32O6",392.2199,"M+Na",3]
["Multiple",415.21260760000001,415.21231799999998,"C17004","Kalihinol A","C22H33ClN2O2",392.22309999999999,"M+Na",3]
["Multiple",415.21260760000001,415.20911799999999,"C09115","Isodomedin","C22H32O6",392.2199,"M+Na",3]
["Unique",422.32517469999999,422.324118,"C02990","L-Palmitoylcarnitine","C23H45NO4",399.3349,"M+Na",3]
["Unique",424.34332000000001,424.34241800000001,"C16893","Stellettamide A","C26H45N2O",401.35320000000002,"M+Na",3]
["Multiple",439.2598428,439.26391799999999,"C17993","Istamycin B3","C18H36N6O5",416.2747,"M+Na",3]
["Multiple",439.2598428,439.26391799999999,"C17989","Istamycin A3","C18H36N6O5",416.2747,"M+Na",3]
["Unique",441.26395230000003,441.26111800000001,"C15272","3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate","C25H38O5",418.27190000000002,"M+Na",3]
["Multiple",444.25126169999999,444.25091800000001,"C20528","Terpendole B","C27H35NO3",421.26170000000002,"M+Na",3]
["Multiple",444.25126169999999,444.25091800000001,"C20535","beta-PC-M6;beta-10-Hydroxy-12-demethyl-11,12-dehydropaspaline","C27H35NO3",421.26170000000002,"M+Na",3]
["Multiple",444.25126169999999,444.25091800000001,"C20558","alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-11,12-dehydropaspaline","C27H35NO3",421.26170000000002,"M+Na",3]
["Multiple",445.13431650000001,445.131618,"C11660","10-Hydroxymorroniside","C17H26O12",422.14240000000001,"M+Na",3]
["Multiple",445.13431650000001,445.13491800000003,"C15155","9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione","C22H31BrO3",422.14569999999998,"M+Na",3]
["Multiple",445.13431650000001,445.131618,"C11644","Lamiide","C17H26O12",422.14240000000001,"M+Na",3]
["Unique",451.25250790000001,451.25377600000002,"C17859","Atractyloside B","C21H38O10",450.24650000000003,"M+H",3]
["Unique",452.31477039999999,452.31351799999999,"C10808","Imperialine;Cevan-6-one, 3,20-dihydroxy-, (3-beta,5-alpha,17-beta)-;Kashmirine;Peiminine","C27H43NO3",429.32429999999999,"M+Na",3]
["Multiple",457.23331200000001,457.23327599999999,"C01626","Vindoline","C25H32N2O6",456.226,"M+H",3]
["Multiple",457.23331200000001,457.23251800000003,"C03630","Oleoylglycerone phosphate","C21H39O7P",434.24329999999998,"M+Na",3]
["Unique",460.27064380000002,460.26937600000002,"C12333","Militarinone A","C26H37NO6",459.26209999999998,"M+H",3]
["Unique",460.2783566,460.282218,"C20536","Terpendole E","C28H39NO3",437.29300000000001,"M+Na",3]
["Multiple",465.31820929999998,465.32107600000001,"C00477","Ecdysone","C27H44O6",464.31380000000001,"M+H",3]
["Multiple",465.31820929999998,465.32107600000001,"C08835","Ponasterone A","C27H44O6",464.31380000000001,"M+H",3]
["Multiple",465.31820929999998,465.32107600000001,"C16496","3-Epiecdysone","C27H44O6",464.31380000000001,"M+H",3]
["Unique",467.2579197,467.25331799999998,"C04590","3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate","C23H41O6P",444.26409999999998,"M+Na",3]
["Unique",468.31080270000001,468.31087600000001,"C08007","Buprenorphine","C29H41NO4",467.30360000000002,"M+H",3]
["Unique",472.23980640000002,472.24181800000002,"C11330","N-Acetyl-leu-leu-tyr;NAc-LLY","C23H35N3O6",449.25259999999997,"M+Na",3]
["Unique",490.29266810000001,490.29281800000001,"C08007","Buprenorphine","C29H41NO4",467.30360000000002,"M+Na",3]
["Multiple",502.29362190000001,502.29517600000003,"C20555","Aflatrem","C32H39NO4",501.28789999999998,"M+H",3]
["Multiple",502.29362190000001,502.29517600000003,"C06999","Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetic acid","C32H39NO4",501.28789999999998,"M+H",3]
["Unique",507.32582239999999,507.32651800000002,"C11604","N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin","C23H44N6O5",484.33730000000003,"M+Na",3]
["Unique",519.2739143,519.27171799999996,"C09286","Absinthin","C30H40O6",496.28250000000003,"M+Na",3]
["Multiple",539.97497910000004,539.97027600000001,"C18426","Chlorfluazuron","C20H9Cl3F5N3O3",538.96299999999997,"M+H",3]
["Multiple",539.97497910000004,539.97507599999994,"C01806","GTP-gamma-S","C10H16N5O13P3S",538.96780000000001,"M+H",3]
["Multiple",543.32723099999998,543.32951800000001,"C04100","1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine","C26H51NO7P",520.34029999999996,"M+Na",3]
["Multiple",543.32723099999998,543.32921799999997,"C08804","Cucurbitacin P","C30H48O7",520.34,"M+Na",3]
["Unique",546.25854679999998,546.25741800000003,"C11309","Calcimycin;Ionophore A23187","C29H37N3O6",523.26819999999998,"M+Na",3]
["Unique",556.12410680000005,556.12731799999995,"C17752","cyclo-Dopa-glucuronylglucoside","C21H27NO15",533.13810000000001,"M+Na",3]
["Unique",572.37153109999997,572.37347599999998,"C20561","21,22-Diprenylpaxilline","C37H49NO4",571.36620000000005,"M+H",3]
["Unique",617.51432199999999,617.51151800000002,"C13861","1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol","C37H70O5",594.52229999999997,"M+Na",3]
["Unique",683.41901470000005,683.41291799999999,"C09153","12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1","C38H60O9",660.42370000000005,"M+Na",3]
["Unique",737.62035549999996,737.62307599999997,"C17570","2-Methyl-6-solanyl-1,4-benzoquinol;2-Methyl-6-nonaprenyl-benzene-1,4-diol;2-Methyl-6-all-trans-nonaprenylbenzene-1,4-diol;2-Methyl-6-solanesylbenzene-1,4-diol;MSBQ","C52H80O2",736.61580000000004,"M+H",3]
["Unique",771.60884980000003,771.60501799999997,"C10385","Plastoquinone-9;Plastoquinone A","C53H80O2",748.61580000000004,"M+Na",3]
["Unique",808.44514179999999,808.44541800000002,"C14056","Leucomycin A1","C40H67NO14",785.45619999999997,"M+Na",3]
["Unique",1006.491986,1006.501518,"C16108","Adrenorphin","C44H69N15O9S",983.51229999999998,"M+Na",3]
["Unique",1245.5803920000001,1245.5874180000001,"C08938","Cyclamin","C58H94O27",1222.5981999999999,"M+Na",3]

{"sheet":"Categorical baseline","index":3,"n_rows":387,"n_cols":9,"rows_kept":387,"cut":false,"hidden":false,"merged":[]}
["Supplementary Data 1. Putative annotation of differentially abundant metabolite features between naïve and semi-immune volunteers at baseline"]
["MatchCategory","mz","theoretical.mz","KEGGID","Name","Formula","MonoisotopicMass","Adduct","Annotation_level"]
["Unique",90.055258370000004,90.054975999999996,"C01401","Alanine;2-Aminopropionic acid;2-Aminopropanoic acid","C3H7NO2",89.047700000000006,"M+H",1]
["Unique",130.06561210000001,130.065076,"C06413","Quinoline;Benzo[b]pyridine","C9H7N",129.05779999999999,"M+H",1]
["Unique",132.10231880000001,132.101876,"C16434","Leucine/Isoleucine","C6H13NO2",131.09460000000001,"M+H",1]
["Unique",148.0609365,148.06047599999999,"C00302","Glutamate;Glutaminic acid;2-Aminoglutaric acid","C5H9NO4",147.0532,"M+H",1]
["Unique",166.08680269999999,166.086276,"C02057","Phenylalanine;alpha-Amino-beta-phenylpropionic acid","C9H11NO2",165.07900000000001,"M+H",1]
["Unique",169.036146,169.03557599999999,"C00366","Urate;Uric acid","C5H4N4O3",168.0283,"M+H",1]
["Unique",405.22837900000002,405.22717599999999,"C02821","Cortisol 21-acetate;Hydrocortisone acetate;Cortell","C23H32O6",404.2199,"M+H",1]
["Multiple",85.065073589999997,85.064775999999995,"C00557","Cyclopentanone","C5H8O",84.057500000000005,"M+H",3]
["Multiple",85.065073589999997,85.064775999999995,"C15604","Prenal","C5H8O",84.057500000000005,"M+H",3]
["Multiple",85.065073589999997,85.064775999999995,"C07330","3-Methyl-2-butenal;3-Methylbut-2-enal;3,3-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal","C5H8O",84.057500000000005,"M+H",3]
["Unique",85.101433970000002,85.101175999999995,"C11249","Cyclohexane","C6H12",84.093900000000005,"M+H",3]
["Multiple",99.080667430000005,99.080476000000004,"C08497","(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde","C6H10O",98.0732,"M+H",3]
["Multiple",99.080667430000005,99.080476000000004,"C16310","3-Hexenal;(3Z)-Hexenal","C6H10O",98.0732,"M+H",3]
["Multiple",99.080667430000005,99.080476000000004,"C00414","Cyclohexanone","C6H10O",98.0732,"M+H",3]
["Multiple",101.0600274,101.059676,"C08279","Tiglic acid;(E)-2,3-Dimethylacrylic acid","C5H8O2",100.05240000000001,"M+H",3]
["Multiple",101.0600274,101.059676,"C12518","Glutaral;1,5-Pentanedial;Glutaraldehyde","C5H8O2",100.05240000000001,"M+H",3]
["Multiple",101.0600274,101.059676,"C02240","5-Valerolactone;delta-Valerolactone;gamma-Valerolactone","C5H8O2",100.05240000000001,"M+H",3]
["Multiple",101.0600274,101.059676,"C15499","Pentane-2,4-dione;Acetylacetone;2,4-Dioxopentane","C5H8O2",100.05240000000001,"M+H",3]
["Multiple",101.0600274,101.059676,"C14527","Methyl methacrylate;MMA;Methyl 2-methylpropenoate","C5H8O2",100.05240000000001,"M+H",3]
["Multiple",101.0600274,101.059676,"C19238","Ethyl acrylate","C5H8O2",100.05240000000001,"M+H",3]
["Multiple",101.0963821,101.096076,"C08492","3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol","C6H12O",100.08880000000001,"M+H",3]
["Multiple",101.0963821,101.096076,"C02893","Unsaturated alcohol","C6H12O",100.08880000000001,"M+H",3]
["Multiple",101.0963821,101.096076,"C02373","4-Methylpentanal;Isocaproaldehyde;Isohexanal","C6H12O",100.08880000000001,"M+H",3]
["Multiple",101.0963821,101.096076,"C19263","Methyl isobutyl ketone","C6H12O",100.08880000000001,"M+H",3]
["Multiple",101.0963821,101.096076,"C00854","Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol","C6H12O",100.08880000000001,"M+H",3]
["Multiple",110.02031220000001,110.021218,"C06695","2-Oxazolidinone","C3H5NO2",87.031999999999996,"M+Na",3]
["Multiple",110.02031220000001,110.021218,"C02218","Dehydroalanine;2-Aminoacrylate","C3H5NO2",87.031999999999996,"M+Na",3]
["Multiple",110.02031220000001,110.021218,"C20253","Aminoacrylate;(Z)-3-Aminoacrylate","C3H5NO2",87.031999999999996,"M+Na",3]
["Multiple",111.02052879999999,111.020776,"C18676","alpha-Chlorohydrin;3-Monochloro-1,2-propanediol","C3H7ClO2",110.01349999999999,"M+H",3]
["Multiple",111.02052879999999,111.02057600000001,"C18401","Fosetyl","C2H7O3P",110.0133,"M+H",3]
["Multiple",111.02052879999999,111.02057600000001,"C19406","Dimethyl hydrogen phosphite","C2H7O3P",110.0133,"M+H",3]
["Multiple",111.0444133,111.044076,"C15571","Catechol","C6H6O2",110.0368,"M+H",3]
["Multiple",111.0444133,111.044076,"C11115","5-Methyl-2-furaldehyde;5-Methyl-2-furfural","C6H6O2",110.0368,"M+H",3]
["Multiple",111.0444133,111.044076,"C00530","Hydroquinone;p-Benzenediol;1,4-Benzenediol;1,4-Dihydroxybenzene;Benzene-1,4-diol;Quinol;4-Hydroxyphenol","C6H6O2",110.0368,"M+H",3]
["Multiple",111.0444133,111.044076,"C00090","Catechol;1,2-Benzenediol;o-Benzenediol;1,2-Dihydroxybenzene;Brenzcatechin;Pyrocatechol","C6H6O2",110.0368,"M+H",3]
["Multiple",111.0444133,111.044076,"C01751","Resorcinol;Resorcin;1,3-Benzenediol;1,3-Dihydroxybenzene;m-Hydroquinone","C6H6O2",110.0368,"M+H",3]
["Multiple",111.0444133,111.044076,"C01785","Benzenediol","C6H6O2",110.0368,"M+H",3]
["Multiple",115.050613,115.05017599999999,"C02565","N-Methylhydantoin;N-Methylimidazolidine-2,4-dione","C4H6N2O2",114.0429,"M+H",3]
["Multiple",115.050613,115.05017599999999,"C02777","2,5-Dioxopiperazine;Diketopiperazine;2,5-Diazacyclohexane-1,4-dione;2,5-Piperazinedione;Glycine anhydride","C4H6N2O2",114.0429,"M+H",3]
["Multiple",115.050613,115.05017599999999,"C02512","3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine","C4H6N2O2",114.0429,"M+H",3]
["Multiple",115.050613,115.05017599999999,"C08311","Muscimol","C4H6N2O2",114.0429,"M+H",3]
["Multiple",115.050613,115.05017599999999,"C00429","5,6-Dihydrouracil;Dihydro-2,4(1H,3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;5,6-Dihydro-2,4-dihydroxypyrimidine;Hydrouracil;2,4-Dioxotetrahydropyrimidine","C4H6N2O2",114.0429,"M+H",3]
["Multiple",116.0476883,116.04701799999999,"C14447","2-Methylpyridine;2-Picoline","C6H7N",93.0578,"M+Na",3]
["Multiple",116.0476883,116.04701799999999,"C00292","Aniline;Phenylamine;Benzenamine;Arylamine","C6H7N",93.0578,"M+Na",3]
["Unique",117.1026068,117.102276,"C00990","5-Aminopentanamide","C5H12N2O",116.095,"M+H",3]
["Multiple",119.08591730000001,119.085576,"C19549","Vinyl toluene","C9H10",118.0783,"M+H",3]
["Multiple",119.08591730000001,119.085576,"C14395","alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene","C9H10",118.0783,"M+H",3]
["Multiple",123.0919974,123.09167600000001,"C14401","2,4-Diaminotoluene","C7H10N2",122.0844,"M+H",3]
["Multiple",123.0919974,123.09167600000001,"C19386","2,5-Diaminotoluene;2-Methyl-1,4-benzenediamine","C7H10N2",122.0844,"M+H",3]
["Multiple",128.0710311,128.07057599999999,"C10149","Guvacine","C6H9NO2",127.0633,"M+H",3]
["Multiple",128.0710311,128.07057599999999,"C08292","alpha-(Methylenecyclopropyl)glycine","C6H9NO2",127.0633,"M+H",3]
["Multiple",128.0710311,128.07057599999999,"C08268","L-Baikiain;4,5-Dehydropipecolic acid","C6H9NO2",127.0633,"M+H",3]
["Multiple",128.0710311,128.07057599999999,"C04092","delta1-Piperideine-2-carboxylate;1,2-Didehydropiperidine-2-carboxylate","C6H9NO2",127.0633,"M+H",3]
["Multiple",128.0710311,128.07057599999999,"C00450","(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate","C6H9NO2",127.0633,"M+H",3]
["Multiple",128.0710311,128.07057599999999,"C13694","Isoguvacine","C6H9NO2",127.0633,"M+H",3]
["Multiple",128.97147870000001,128.971418,"C20609","2-Chloroacrylate;2-Chloroacrylic acid","C3H3ClO2",105.98220000000001,"M+Na",3]
["Multiple",128.97147870000001,128.971418,"C06614","trans-3-Chloroacrylic acid","C3H3ClO2",105.98220000000001,"M+Na",3]
["Multiple",128.97147870000001,128.971418,"C06615","cis-3-Chloroacrylic acid","C3H3ClO2",105.98220000000001,"M+Na",3]
["Multiple",129.06626750000001,129.065876,"C00906","5,6-Dihydrothymine;Dihydrothymine;5,6-Dihydro-5-methyluracil","C5H8N2O2",128.05860000000001,"M+H",3]
["Multiple",129.06626750000001,129.065876,"C05717","alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid","C5H8N2O2",128.05860000000001,"M+H",3]
["Multiple",129.06626750000001,129.065876,"C05715","gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid","C5H8N2O2",128.05860000000001,"M+H",3]
["Multiple",129.06626750000001,129.06751800000001,"C06756","p-Xylene;1,4-Dimethylbenzene;p-Methyltoluene","C8H10",106.0783,"M+Na",3]
["Multiple",129.06626750000001,129.06751800000001,"C19551","Xylene","C8H10",106.0783,"M+Na",3]
["Multiple",129.06626750000001,129.06751800000001,"C07111","Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene","C8H10",106.0783,"M+Na",3]
["Multiple",129.06626750000001,129.06751800000001,"C07212","o-Xylene;o-Dimethylbenzene;o-Methyltoluene","C8H10",106.0783,"M+Na",3]
["Multiple",129.06626750000001,129.06751800000001,"C07208","m-Xylene;1,3-Dimethylbenzene;1,3-Xylene","C8H10",106.0783,"M+Na",3]
["Multiple",129.1278193,129.127376,"C01545","1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde","C8H16O",128.12010000000001,"M+H",3]
["Multiple",129.1278193,129.127376,"C14272","1-Octen-3-ol","C8H16O",128.12010000000001,"M+H",3]
["Multiple",129.1278193,129.127376,"C17145","3-Octanone","C8H16O",128.12010000000001,"M+H",3]
["Multiple",129.1278193,129.127376,"C07288","Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol","C8H16O",128.12010000000001,"M+H",3]
["Multiple",135.1172407,135.11687599999999,"C14142","sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane","C10H14",134.1096,"M+H",3]
["Multiple",135.1172407,135.11687599999999,"C14534","1,2,4,5-Tetramethylbenzene;Durene","C10H14",134.1096,"M+H",3]
["Multiple",135.1172407,135.11687599999999,"C06575","p-Cymene","C10H14",134.1096,"M+H",3]
["Multiple",135.1172407,135.11687599999999,"C14583","1,4-Diethylbenzene;p-Diethylbenzene","C10H14",134.1096,"M+H",3]
["Multiple",135.1172407,135.11687599999999,"C18150","n-Butylbenzene","C10H14",134.1096,"M+H",3]
["Unique",137.000474,136.99911800000001,"C18773","Ammonium sulfamate","NH4SO3NH2",114.0099,"M+Na",3]
["Multiple",137.0601647,137.059676,"C07085","3-Vinylcatechol","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C07215","o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C01454","Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C07189","2-Hydroxyacetophenone;omega-Hydroxyacetophenone","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C14087","3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C00548","Phenyl acetate;Acetylphenol;Acetic acid,phenyl ester","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C10761","p-Anisaldehyde","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C07086","Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C10700","4'-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C07211","m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C06224","3,4-Dihydroxystyrene","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C20645","Methyl benzoate","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C05613","Benzylformate","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C03765","4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",137.0601647,137.059676,"C15583","Phenyl acetate","C8H8O2",136.05240000000001,"M+H",3]
["Multiple",140.1075171,140.106976,"C00783","Tropinone;3-Tropanone","C8H13NO",139.09970000000001,"M+H",3]
["Multiple",140.1075171,140.106976,"C16697","1-Indolizidinone;1-Ketooctahydroindolizine","C8H13NO",139.09970000000001,"M+H",3]
["Multiple",140.1075171,140.106976,"C10400","Supinidine","C8H13NO",139.09970000000001,"M+H",3]
["Unique",142.9841869,142.98307600000001,"C03576","2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM","C2H6O3S2",141.97579999999999,"M+H",3]
["Unique",144.9826683,144.98157599999999,"C18399","Ethephon","C2H6ClO3P",143.9743,"M+H",3]
["Multiple",146.0605711,146.06007600000001,"C08493","Indole-3-carboxaldehyde;Indole-3-carbaldehyde","C9H7NO",145.05279999999999,"M+H",3]
["Multiple",146.0605711,146.06007600000001,"C06338","Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol","C9H7NO",145.05279999999999,"M+H",3]
["Multiple",146.0605711,146.06007600000001,"C06343","4-Hydroxyquinoline;Quinolin-4-ol","C9H7NO",145.05279999999999,"M+H",3]
["Multiple",146.0605711,146.06007600000001,"C06324","Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one","C9H7NO",145.05279999999999,"M+H",3]
["Multiple",146.0605711,146.06007600000001,"C19434","8-Hydroxyquinoline;Oxyquinoline","C9H7NO",145.05279999999999,"M+H",3]
["Multiple",146.0605711,146.06007600000001,"C02796","3-Methyleneoxindole","C9H7NO",145.05279999999999,"M+H",3]
["Multiple",146.0605711,146.06007600000001,"C06415","2(1H)-Quinolinone;Quinolin-2(1H)-one","C9H7NO",145.05279999999999,"M+H",3]
["Unique",152.9954548,152.994776,"C06368","3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate","C3H5O5P",151.98750000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C00642","4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C04043","3,4-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C05852","2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C14108","4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C13635","4-Hydroxyphenacyl alcohol;2,4'-Dihydroxyacetophenone","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C02519","4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C01983","(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C00755","4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C12064","Resorcinol monoacetate","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C12305","Methyl salicylate;Methyl 2-hydroxybenzoate","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C05593","3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C13636","4-Hydroxyphenyl acetate","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C01984","(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C03663","2',4'-Dihydroxyacetophenone;2,4-Dihydroxyacetophenone;Resacetophenone","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C02181","Phenoxyacetate;Phenoxyacetic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C10675","3',4'-Dihydroxyacetophenone","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C02639","3-Methoxytropolone","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C17900","Menisdaurilide","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C14088","3-Methylsalicylate","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C14103","4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C02657","6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C10804","2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid","C8H8O3",152.04730000000001,"M+H",3]
["Unique",153.99876190000001,153.999076,"C01962","Thiocysteine;S-Mercapto-L-cysteine","C3H7NO2S2",152.99180000000001,"M+H",3]
["Unique",156.99117089999999,156.989676,"C00988","2-Phosphoglycolate;Phosphoglycolic acid","C2H5O6P",155.98240000000001,"M+H",3]
["Multiple",157.12283909999999,157.122276,"C08471","Chalcogran","C9H16O2",156.11500000000001,"M+H",3]
["Multiple",157.12283909999999,157.122276,"C08501","gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone","C9H16O2",156.11500000000001,"M+H",3]
["Multiple",157.12283909999999,157.122276,"C02445","Nonane-4,6-dione","C9H16O2",156.11500000000001,"M+H",3]
["Multiple",159.0654433,159.06517600000001,"C04815","5-D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-one;5D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxy-2-cyclohexen-1-one","C7H10O4",158.05789999999999,"M+H",3]
["Multiple",159.0654433,159.06517600000001,"C02631","2-Isopropylmaleate;beta-Isopropylmaleate","C7H10O4",158.05789999999999,"M+H",3]
["Multiple",159.0654433,159.06517600000001,"C05126","Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid, 2-methyl-, dimethyl ester, (Z)-;Citraconate de dimethyle;Citraconic acid, dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid, dimethyl ester","C7H10O4",158.05789999999999,"M+H",3]
["Multiple",159.0654433,159.06517600000001,"C04670","(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate","C7H10O4",158.05789999999999,"M+H",3]
["Multiple",159.0654433,159.06411800000001,"C05650","Tetrahydropteridine;5,6,7,8-Tetrahydropteridine","C6H8N4",136.07490000000001,"M+Na",3]
["Multiple",161.06030730000001,161.059676,"C14785","1,4-Dihydroxynaphthalene;1,4-Naphthohydroquinone;Naphthalene-1,4-diol","C10H8O2",160.05240000000001,"M+H",3]
["Multiple",161.06030730000001,161.059676,"C03012","Naphthalene-1,2-diol;1,2-Naphthalenediol;beta-Naphthohydroquinone;1,2-Dihydroxynaphthalene","C10H8O2",160.05240000000001,"M+H",3]
["Multiple",161.06030730000001,161.059676,"C16213","2,3-Dihydroxynaphthalene","C10H8O2",160.05240000000001,"M+H",3]
["Multiple",161.06030730000001,161.059676,"C07726","1-Formyl-2-indanone","C10H8O2",160.05240000000001,"M+H",3]
["Multiple",161.06030730000001,161.059676,"C07719","2-Formyl-1-indanone","C10H8O2",160.05240000000001,"M+H",3]
["Unique",163.0282306,163.02941799999999,"C11764","Sarin","C4H10FO2P",140.0402,"M+Na",3]
["Unique",163.9910951,163.99051800000001,"C18667","Methamidophos","C2H8NO2PS",141.00129999999999,"M+Na",3]
["Unique",167.09012279999999,167.090318,"C03078","4-Guanidinobutanamide","C5H12N4O",144.1011,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C06006","(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C01053","(R)-4-Dehydropantoate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C00659","2-Aceto-2-hydroxybutanoate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C00772","Mevaldate;Mevaldic acid","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C04237","3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C00966","2-Dehydropantoate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C06762","4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C14463","(R)-3-Hydroxy-3-methyl-2-oxopentanoate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C06104","Adipate;Adipic acid;Hexanedioate;Hexan-1,6-dicarboxylate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C16272","3-Hydroxy-5-oxohexanoate","C6H10O4",146.05789999999999,"M+Na",3]
["Unique",169.97785859999999,169.979276,"C07279","2-Aminoethylarsonate;2-Aminoethylarsonic acid","C2H8AsNO3",168.97200000000001,"M+H",3]
["Unique",173.11837270000001,173.117176,"C16322","9-Oxononanoic acid","C9H16O3",172.10990000000001,"M+H",3]
["Multiple",177.0551907,177.054576,"C03081","4-Methylumbelliferone;Hymecromone","C10H8O3",176.04730000000001,"M+H",3]
["Multiple",177.0551907,177.054576,"C01173","1,3,8-Naphthalenertriol;1,3,8-Trihydroxynaphthalene","C10H8O3",176.04730000000001,"M+H",3]
["Multiple",177.0551907,177.054576,"C09268","Herniarin;7-Methoxycoumarin","C10H8O3",176.04730000000001,"M+H",3]
["Multiple",177.0551907,177.056318,"C18980","Dimefox","C4H12FN2OP",154.06710000000001,"M+Na",3]
["Unique",178.99125699999999,178.99267599999999,"C20341","Disodium malate;Disodium DL-malate","C4H4O5. 2Na",177.9854,"M+H",3]
["Unique",179.01509129999999,179.01377600000001,"C11582","2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride","C6H7ClN2. HCl",178.00649999999999,"M+H",3]
["Unique",180.99048239999999,180.99061800000001,"C20360","Sodium methallylsulfonate;Sodium methallyl sulfonate","C4H7O3S. Na",158.00139999999999,"M+Na",3]
["Multiple",184.09506690000001,184.09677600000001,"C11768","Levonordefrin;alpha-Methylnoradrenaline","C9H13NO3",183.08949999999999,"M+H",3]
["Multiple",184.09506690000001,184.09677600000001,"C05589","L-Normetanephrine","C9H13NO3",183.08949999999999,"M+H",3]
["Multiple",184.09506690000001,184.09677600000001,"C00788","L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-[(1R)-1-Hydroxy-2-(methylamino)ethyl]-1,2-benzenediol","C9H13NO3",183.08949999999999,"M+H",3]
["Multiple",184.09506690000001,184.09677600000001,"C17925","Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline","C9H13NO3",183.08949999999999,"M+H",3]
["Multiple",184.09506690000001,184.09441799999999,"C15025","(S)-Carnitine;D-Carnitine","C7H15NO3",161.1052,"M+Na",3]
["Multiple",184.09506690000001,184.09441799999999,"C00318","L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium hydroxide, inner salt;Levocarnitine;(R)-Carnitine","C7H15NO3",161.1052,"M+Na",3]
["Unique",184.98616730000001,184.984576,"C03232","3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid","C3H5O7P",183.97730000000001,"M+H",3]
["Multiple",185.0239918,185.02431799999999,"C15606","1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one","C6H10O3S",162.0351,"M+Na",3]
["Multiple",185.0239918,185.02431799999999,"C17211","2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid","C6H10O3S",162.0351,"M+Na",3]
["Multiple",191.00187399999999,191.00087600000001,"C06674","4-Sulfocatechol","C6H6O5S",189.99359999999999,"M+H",3]
["Multiple",191.00187399999999,191.00087600000001,"C06336","3-Sulfocatechol;2,3-Dihydroxybenzenesulfonate","C6H6O5S",189.99359999999999,"M+H",3]
["Unique",193.00701430000001,193.00591800000001,"C06607","Diethylthiophosphoric acid;DETP","C4H11O3PS",170.01669999999999,"M+Na",3]
["Multiple",194.11818450000001,194.11757600000001,"C18418","Isoprocarb","C11H15NO2",193.1103,"M+H",3]
["Multiple",194.11818450000001,194.11757600000001,"C18957","2,3,5-Trimethacarb","C11H15NO2",193.1103,"M+H",3]
["Multiple",194.11818450000001,194.11757600000001,"C07875","Butamben","C11H15NO2",193.1103,"M+H",3]
["Multiple",194.11818450000001,194.11757600000001,"C07577","3,4-Methylenedioxymethamphetamine;N-Methyl-3,4-methylenedioxyamphetamine;MDMA","C11H15NO2",193.1103,"M+H",3]
["Multiple",194.11818450000001,194.11757600000001,"C09460","Heliamine","C11H15NO2",193.1103,"M+H",3]
["Multiple",194.11818450000001,194.11757600000001,"C09640","(-)-Salsoline","C11H15NO2",193.1103,"M+H",3]
["Unique",197.99290669999999,197.992818,"C20670","2-Amino-5-chloromuconate 6-semialdehyde","C6H6ClNO3",175.00360000000001,"M+Na",3]
["Multiple",200.0690798,200.07057599999999,"C19269","5-Nitroacenaphthene","C12H9NO2",199.0633,"M+H",3]
["Multiple",200.0690798,200.07057599999999,"C10697","Isodictamnine","C12H9NO2",199.0633,"M+H",3]
["Multiple",200.0690798,200.07057599999999,"C19473","4-Nitrobiphenyl;4-Nitro-1,1'-biphenyl","C12H9NO2",199.0633,"M+H",3]
["Multiple",200.0690798,200.07057599999999,"C10660","Dictamnine","C12H9NO2",199.0633,"M+H",3]
["Multiple",204.1237983,204.12437600000001,"C04083","N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gamma,gamma-Dimethylallylamino)purine;N6-Dimethylallyladenine","C10H13N5",203.11709999999999,"M+H",3]
["Multiple",204.1237983,204.12437600000001,"C08435","Triacanthine","C10H13N5",203.11709999999999,"M+H",3]
["Multiple",206.06742980000001,206.066776,"C00248","Lipoamide;Thioctic acid amide","C8H15NOS2",205.05950000000001,"M+H",3]
["Multiple",206.06742980000001,206.06881799999999,"C19186","2-Amino-9H-pyrido[2,3-b]indole;2-Amino-alpha-carboline;A-alpha-C","C11H9N3",183.0796,"M+Na",3]
["Multiple",208.0699606,208.071676,"C10902","Methyl 5-hydroxy-2-benzimidazole carbamate","C9H9N3O3",207.06440000000001,"M+H",3]
["Multiple",208.0699606,208.071676,"C16624","Isoniazid pyruvate","C9H9N3O3",207.06440000000001,"M+H",3]
["Unique",209.01365559999999,209.01307600000001,"C19844","(1S,3R)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate","C8H10Cl2O2",208.00579999999999,"M+H",3]
["Multiple",209.1179602,209.117176,"C15765","Coronafacic acid","C12H16O3",208.10990000000001,"M+H",3]
["Multiple",209.1179602,209.117176,"C04562","Benzyl (2S,3S)-2-methyl-3-hydroxybutanoate","C12H16O3",208.10990000000001,"M+H",3]
["Multiple",209.1179602,209.117176,"C10390","Primin","C12H16O3",208.10990000000001,"M+H",3]
["Multiple",209.1179602,209.117176,"C10430","beta-Asarone;cis-Asarone;(Z)-1-(2,4,5-Trimethoxyphenyl)-1-propene","C12H16O3",208.10990000000001,"M+H",3]
["Multiple",209.1179602,209.117176,"C04561","Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate","C12H16O3",208.10990000000001,"M+H",3]
["Multiple",209.1179602,209.117176,"C17846","alpha-Asaron","C12H16O3",208.10990000000001,"M+H",3]
["Multiple",209.1179602,209.117176,"C16975","Isoelemicin","C12H16O3",208.10990000000001,"M+H",3]
["Multiple",209.1179602,209.117176,"C17821","2,4,5-Trimethoxy-1-allylbenzene;gamma-Asarone","C12H16O3",208.10990000000001,"M+H",3]
["Multiple",209.1179602,209.117176,"C10451","Elemicin","C12H16O3",208.10990000000001,"M+H",3]
["Multiple",210.05077299999999,210.05257599999999,"C17949","N-Acetyldemethylphosphinothricin;N-Adpt","C6H12NO5P",209.0453,"M+H",3]
["Multiple",210.05077299999999,210.05171799999999,"C06559","Deethylatrazine","C6H10ClN5",187.0625,"M+Na",3]
["Multiple",211.13355089999999,211.13287600000001,"C08491","(-)-Jasmonic acid;Jasmonic acid;{(1R,2R)-3-Oxo-2-[(Z)pent-2-enyl]cyclopent-2-enyl}acetic acid;Jasmonate","C12H18O3",210.12559999999999,"M+H",3]
["Multiple",211.13355089999999,211.13287600000001,"C16317","(+)-7-Isojasmonic acid","C12H18O3",210.12559999999999,"M+H",3]
["Unique",213.05459870000001,213.05561800000001,"C17220","2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid","C8H14O3S",190.06639999999999,"M+Na",3]
["Unique",214.98549209999999,214.98701800000001,"C03753","2-Chloro-1,4-naphthoquinone","C10H5ClO2",191.99780000000001,"M+Na",3]
["Unique",218.13939500000001,218.138676,"C03017","O-Propanoylcarnitine;O-Propionylcarnitine","C10H19NO4",217.13140000000001,"M+H",3]
["Unique",224.0123475,224.01407599999999,"C04327","4-Methyl-5-(2-phosphoethyl)thiazole;4-Methyl-5-(2-phosphono-oxyethyl)thiazole","C6H10NO4PS",223.0068,"M+H",3]
["Multiple",225.1492595,225.14847599999999,"C04166","(+/-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol","C13H20O3",224.1412,"M+H",3]
["Multiple",225.1492595,225.14847599999999,"C01760","(6S,9R)-Vomifoliol;(6S,9R)-6-Hydroxy-3-oxo-alpha-ionol","C13H20O3",224.1412,"M+H",3]
["Multiple",225.1492595,225.14847599999999,"C16318","(+)-7-Isomethyljasmonate","C13H20O3",224.1412,"M+H",3]
["Multiple",225.1492595,225.14847599999999,"C11512","Methyl jasmonate;(-)-Methyl jasmonate","C13H20O3",224.1412,"M+H",3]
["Multiple",229.15541279999999,229.156318,"C14132","4-Octylphenol;4-n-Octylphenol;p-Octylphenol","C14H22O",206.1671,"M+Na",3]
["Multiple",229.15541279999999,229.156318,"C11350","(+)-trans-alpha-Irone","C14H22O",206.1671,"M+Na",3]
["Multiple",229.15541279999999,229.156318,"C09690","alpha-Irone;(+)-cis-alpha-Irone","C14H22O",206.1671,"M+Na",3]
["Multiple",229.15541279999999,229.156318,"C14205","4-tert-Octylphenol;4-t-Octylphenol;4-(1,1,3,3-Tetramethylbutyl)phenol","C14H22O",206.1671,"M+Na",3]
["Unique",234.13332220000001,234.132518,"C19098","Atraton","C9H17N5O",211.14330000000001,"M+Na",3]
["Unique",236.17342350000001,236.17577600000001,"C07401","Procainamide","C13H21N3O",235.16849999999999,"M+H",3]
["Unique",236.93944450000001,236.93927600000001,"C16249","2-Bromomaleylacetate","C6H5BrO5",235.93199999999999,"M+H",3]
["Unique",237.2220887,237.22127599999999,"C20128","Bombykal;(Z,E)-10,12-Hexadecadienal","C16H28O",236.214,"M+H",3]
["Multiple",245.18677220000001,245.18597600000001,"C11332","Leucyl-leucine","C12H24N2O3",244.17869999999999,"M+H",3]
["Multiple",245.18677220000001,245.18597600000001,"C01255","N-(6-Aminohexanoyl)-6-aminohexanoate","C12H24N2O3",244.17869999999999,"M+H",3]
["Multiple",245.18677220000001,245.18761799999999,"C09664","beta-Eudesmol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C03220","(2Z,6E)-Farnesol;2-cis,6-trans-Farnesol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C09704","Nerolidol;(3S,6E)-Nerolidol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C01126","(2E,6E)-Farnesol;2-trans,6-trans-Farnesol;trans-Farnesol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C09663","alpha-Eudesmol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C19755","Patchoulol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C19756","Presilphiperfolan-8beta-ol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C09621","(-)-alpha-Bisabolol;Levomenol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C09628","Carotol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C09698","Ledol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C09682","Himachalol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C09631","alpha-Cedrol;Cedrol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C09651","Cycloeudesmol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C17124","gamma-Eudesmol;Machilol;Selinenol;Uncineol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C09676","Guaiol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C20576","Kunzeaol;6beta-Hydroxygermacra-1(10),4-diene;(1R,2E,6E,10R)-3,7-Dimethyl-10-isopropylcyclodeca-2,6-dienol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C19743","Drimenol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C19744","(+)-Epicubenol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C09705","Patchouli alcohol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C16813","Valeranone","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C16970","Hinesol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C19893","10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C16143","(1E,4S,5E,7R)-Germacra-1(10),5-dien-11-ol;Germacradienol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C19974","(+)-Caryolan-1-ol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C20172","Cubebol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C20181","Avermitilol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C20184","(+)-T-Muurolol;(+)-tau-Muurolol;(1R,4R,4aS,8aR)-1,6-Dimethyl-4-(propan-2-yl)-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C19746","(3R,6E)-Nerolidol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C20479","(+)-epi-alpha-Bisabolol;(2S)-6-Methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",245.18677220000001,245.18761799999999,"C18245","8-epi-Cedrol","C15H26O",222.19839999999999,"M+Na",3]
["Multiple",248.14842759999999,248.14821800000001,"C18768","Terbumeton","C10H19N5O",225.15899999999999,"M+Na",3]
["Multiple",248.14842759999999,248.14821800000001,"C19106","Secbumeton","C10H19N5O",225.15899999999999,"M+Na",3]
["Multiple",248.14842759999999,248.14821800000001,"C14186","Prometon;2,4-Bis(isopropylamino)-6-methoxy-1,3,5-triazine","C10H19N5O",225.15899999999999,"M+Na",3]
["Multiple",249.14876409999999,249.14847599999999,"C02771","1,2-Dihydrosantonin;1,2-Dihydro-alpha-santonin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09534","Pseudoivalin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C07609","Parthenolide","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09562","Tomentosin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09440","Eupatolide","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09544","Santamarin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09378","Confertin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09345","Artemorin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09687","Illudin M","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09488","Ivalin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09507","Micheliolide","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09556","Tamaulipin A","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C20400","1-Deoxy-11-oxopentalenate","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09626","Canellal;Muzigadial","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09537","Quadrone","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09660","Dehydrongaione","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09386","Damsin","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C13455","Abscisic aldehyde","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C17887","Atractylenolide III","C15H20O3",248.1412,"M+H",3]
["Multiple",249.14876409999999,249.14847599999999,"C09301","Artabsin","C15H20O3",248.1412,"M+H",3]
["Unique",251.20138650000001,251.20057600000001,"C16503","Methyl farnesoate","C16H26O2",250.19329999999999,"M+H",3]
["Unique",257.24833419999999,257.24747600000001,"C00249","Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid","C16H32O2",256.24020000000002,"M+H",3]
["Unique",271.22767800000003,271.22677599999997,"C19614","16-Oxo-palmitate","C16H30O3",270.21949999999998,"M+H",3]
["Unique",275.1278145,275.12777599999998,"C10256","4,4'-Dihydroxy-3,5-dimethoxydihydrostilbene","C16H18O4",274.12049999999999,"M+H",3]
["Unique",278.1755819,278.17507599999999,"C18955","Promacyl","C16H23NO3",277.1678,"M+H",3]
["Multiple",281.17147820000002,281.17231800000002,"C14253","Dibutyl adipate;Di-n-butyl adipate","C14H26O4",258.18310000000002,"M+Na",3]
["Multiple",281.17147820000002,281.17231800000002,"C14260","Diisobutyl adipate","C14H26O4",258.18310000000002,"M+Na",3]
["Unique",282.13145889999998,282.13357600000001,"C10150","Harzianopyridone","C14H19NO5",281.12630000000001,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C07239","Ritodrine","C17H21NO3",287.15210000000002,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C12195","Zephyramine","C17H21NO3",287.15210000000002,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C08526","Galanthamine;Galantamine","C17H21NO3",287.15210000000002,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C11782","Dihydromorphine","C17H21NO3",287.15210000000002,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C06991","Etodolac","C17H21NO3",287.15210000000002,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C09223","Mesembrenone","C17H21NO3",287.15210000000002,"M+H",3]
["Unique",292.1640921,292.16557599999999,"C09176","Eseridine","C15H21N3O3",291.1583,"M+H",3]
["Unique",294.03266669999999,294.03331800000001,"C03225","3,5-Dinitro-L-tyrosine","C9H9N3O7",271.04410000000001,"M+Na",3]
["Multiple",297.14887169999997,297.14847600000002,"C10285","4-Prenylresveratrol","C19H20O3",296.14120000000003,"M+H",3]
["Multiple",297.14887169999997,297.146118,"C09171","Podocarpic acid","C17H22O3",274.15690000000001,"M+Na",3]
["Multiple",297.14887169999997,297.146118,"C18131","Geranyl-hydroxybenzoate","C17H22O3",274.15690000000001,"M+Na",3]
["Multiple",297.14887169999997,297.146118,"C14660","Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid","C17H22O3",274.15690000000001,"M+Na",3]
["Multiple",298.14454860000001,298.143776,"C15087","3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C06172","Neopinone","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C09457","Glaziovine","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C17077","Tuduranine","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C09340","(-)-Apoglaziovine","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C06171","Codeinone;(5alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-one","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C06175","Oripavine","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",303.15490349999999,303.15671800000001,"C17748","1-(3,4-Dihydroxyphenyl)-5-hydroxy-3-decanone","C16H24O4",280.16750000000002,"M+Na",3]
["Multiple",303.15490349999999,303.15671800000001,"C19417","3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate","C16H24O4",280.16750000000002,"M+Na",3]
["Unique",310.1627014,310.16487599999999,"C10304","Fulvine","C16H23NO5",309.1576,"M+H",3]
["Multiple",313.1435505,313.14347600000002,"C14211","Butylbenzyl phthalate;Butyl phenylmethyl 1,2-benzenedicarboxylate","C19H20O4",312.13619999999997,"M+H",3]
["Multiple",313.1435505,313.14347600000002,"C09136","Montanin A","C19H20O4",312.13619999999997,"M+H",3]
["Multiple",313.1435505,313.14347600000002,"C10283","4'-Prenyloxyresveratrol","C19H20O4",312.13619999999997,"M+H",3]
["Multiple",313.1435505,313.14347600000002,"C14935","m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid","C19H20O4",312.13619999999997,"M+H",3]
["Multiple",313.1435505,313.14101799999997,"C09566","epi-Tulipinolide","C17H22O4",290.15179999999998,"M+Na",3]
["Multiple",313.1435505,313.14101799999997,"C17746","1-Dehydro-[6]-gingerdione","C17H22O4",290.15179999999998,"M+Na",3]
["Multiple",313.1435505,313.14101799999997,"C09492","Laurenobiolide","C17H22O4",290.15179999999998,"M+Na",3]
["Multiple",313.1435505,313.14101799999997,"C09564","Tulipinolide","C17H22O4",290.15179999999998,"M+Na",3]
["Multiple",313.1435505,313.14421800000002,"C14410","Phenbenzamine hydrochloride","C17H22N2. HCl",290.15499999999997,"M+Na",3]
["Unique",314.9631273,314.96411799999998,"C20440","alpha-D-Ribose 1,2-cyclic phosphate 5-phosphate","C5H10O10P2",291.97489999999999,"M+Na",3]
["Unique",316.24896189999998,316.24827599999998,"C03299","O-Decanoyl-L-carnitine","C17H33NO4",315.24099999999999,"M+H",3]
["Multiple",317.16212539999998,317.164176,"C18776","Bupirimate","C13H24N4O3S",316.15690000000001,"M+H",3]
["Multiple",317.16212539999998,317.164176,"C07141","Timolol","C13H24N4O3S",316.15690000000001,"M+H",3]
["Multiple",317.16212539999998,317.16217599999999,"C10732","O-Methylptelefolonium","C18H22NO4",316.1549,"M+H",3]
["Multiple",317.16212539999998,317.162418,"C11379","Cinchonidine;(8alpha,9R)-Cinchonan-9-ol","C19H22N2O",294.17320000000001,"M+Na",3]
["Multiple",317.16212539999998,317.162418,"C06528","Cinchonine;(9S)-Cinchonan-9-ol","C19H22N2O",294.17320000000001,"M+Na",3]
["Multiple",317.16212539999998,317.162418,"C09149","Eburnamonine;Vinburnine","C19H22N2O",294.17320000000001,"M+Na",3]
["Multiple",317.16212539999998,317.162418,"C11635","10-Deoxysarpagine;Sarpagan-17-ol","C19H22N2O",294.17320000000001,"M+Na",3]
["Multiple",317.16212539999998,317.162418,"C16735","Corynantheal","C19H22N2O",294.17320000000001,"M+Na",3]
["Unique",327.29006700000002,327.289376,"C02117","2-Oxophytanate;2-Oxophytanic acid","C20H38O3",326.28210000000001,"M+H",3]
["Multiple",328.0850059,328.08827600000001,"C17244","3-Methylthiopropyl-desulfoglucosinolate","C11H21NO6S2",327.08100000000002,"M+H",3]
["Multiple",328.0850059,328.08551799999998,"C18403","Pirimiphos-methyl;Pirimiphosmethyl","C11H20N3O3PS",305.09629999999999,"M+Na",3]
["Unique",332.0061829,332.00867599999998,"C10979","Chlozolinate;Dichlozolinate","C13H11Cl2NO5",331.00139999999999,"M+H",3]
["Unique",346.02578010000002,346.02731799999998,"C14434","EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate","C14H14NO4PS",323.03809999999999,"M+Na",3]
["Multiple",346.1089581,346.10677600000002,"C19064","Nitralin","C13H19N3O6S",345.09949999999998,"M+H",3]
["Multiple",346.1089581,346.10811799999999,"C19210","CI Basic red 9","C19H17N3. HCl",323.1189,"M+Na",3]
["Unique",355.11094600000001,355.10887600000001,"C11035","Flumioxazin;S-53482","C19H15FN2O4",354.10160000000002,"M+H",3]
["Unique",360.9689305,360.96747599999998,"C19088","Monuron-TCA;Monuron TCA","C9H11ClN2O. C2HCl3O2",359.96019999999999,"M+H",3]
["Unique",384.10869289999999,384.107776,"C10602","Lilaline","C20H17NO7",383.10050000000001,"M+H",3]
["Unique",385.03690940000001,385.03821799999997,"C13833","NS 1619","C15H8F6N2O2",362.04899999999998,"M+Na",3]
["Multiple",391.2847271,391.28427599999998,"C14577","Diisooctyl phthalate","C24H38O4",390.27699999999999,"M+H",3]
["Multiple",391.2847271,391.28427599999998,"C03690","Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP","C24H38O4",390.27699999999999,"M+H",3]
["Multiple",391.2847271,391.28427599999998,"C15375","Apocholic acid;3alpha,12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid","C24H38O4",390.27699999999999,"M+H",3]
["Multiple",391.2847271,391.28427599999998,"C11637","3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate","C24H38O4",390.27699999999999,"M+H",3]
["Multiple",391.2847271,391.28427599999998,"C14227","Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 1,2-benzenedicarboxylate","C24H38O4",390.27699999999999,"M+H",3]
["Unique",400.33866010000003,400.34217599999999,"C02990","L-Palmitoylcarnitine","C23H45NO4",399.3349,"M+H",3]
["Unique",407.34717260000002,407.34951799999999,"C17873","2-Hydroxytetracosanoic acid","C24H48O3",384.3603,"M+Na",3]
["Unique",414.01339300000001,414.01621799999998,"C18344","Adenosine 5'-phosphate disodium","C10H12N5O7P. 2Na",391.02699999999999,"M+Na",3]
["Multiple",415.21260760000001,415.211476,"C15440","Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate","C24H30O6",414.20420000000001,"M+H",3]
["Multiple",415.21260760000001,415.211476,"C10658","Magnoshinin","C24H30O6",414.20420000000001,"M+H",3]
["Multiple",415.21260760000001,415.211476,"C12512","Eplerenone","C24H30O6",414.20420000000001,"M+H",3]
["Multiple",415.21260760000001,415.211476,"C15382","Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate","C24H30O6",414.20420000000001,"M+H",3]
["Multiple",415.21260760000001,415.20911799999999,"C17013","Nigakilactone B;Simalikalactone A;Quassin","C22H32O6",392.2199,"M+Na",3]
["Multiple",415.21260760000001,415.20911799999999,"C09115","Isodomedin","C22H32O6",392.2199,"M+Na",3]
["Multiple",415.21260760000001,415.21231799999998,"C17004","Kalihinol A","C22H33ClN2O2",392.22309999999999,"M+Na",3]
["Unique",416.71343610000002,416.710418,"C13383","Iodoform","CHI3",393.72120000000001,"M+Na",3]
["Unique",422.32517469999999,422.324118,"C02990","L-Palmitoylcarnitine","C23H45NO4",399.3349,"M+Na",3]
["Multiple",439.2598428,439.26391799999999,"C17989","Istamycin A3","C18H36N6O5",416.2747,"M+Na",3]
["Multiple",439.2598428,439.26391799999999,"C17993","Istamycin B3","C18H36N6O5",416.2747,"M+Na",3]
["Multiple",444.25126169999999,444.25091800000001,"C20535","beta-PC-M6;beta-10-Hydroxy-12-demethyl-11,12-dehydropaspaline","C27H35NO3",421.26170000000002,"M+Na",3]
["Multiple",444.25126169999999,444.25091800000001,"C20558","alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-11,12-dehydropaspaline","C27H35NO3",421.26170000000002,"M+Na",3]
["Multiple",444.25126169999999,444.25091800000001,"C20528","Terpendole B","C27H35NO3",421.26170000000002,"M+Na",3]
["Unique",468.31080270000001,468.31087600000001,"C08007","Buprenorphine","C29H41NO4",467.30360000000002,"M+H",3]
["Multiple",470.315697,470.31127600000002,"C11996","Methymycin","C25H43NO7",469.30399999999997,"M+H",3]
["Multiple",470.315697,470.31127600000002,"C11995","Neomethymycin","C25H43NO7",469.30399999999997,"M+H",3]
["Multiple",479.28572700000001,479.29047600000001,"C17411","o-Methylpsychotrine;1',2'-Dehydroemetin","C29H38N2O4",478.28320000000002,"M+H",3]
["Multiple",479.28572700000001,479.29047600000001,"C07996","Dehydroemetine","C29H38N2O4",478.28320000000002,"M+H",3]
["Multiple",487.30015650000001,487.30301800000001,"C08835","Ponasterone A","C27H44O6",464.31380000000001,"M+Na",3]
["Multiple",487.30015650000001,487.30301800000001,"C00477","Ecdysone","C27H44O6",464.31380000000001,"M+Na",3]
["Multiple",487.30015650000001,487.30301800000001,"C16496","3-Epiecdysone","C27H44O6",464.31380000000001,"M+Na",3]
["Multiple",495.32936619999998,495.33167600000002,"C16874","Makisterone A","C28H46O7",494.32440000000003,"M+H",3]
["Multiple",495.32936619999998,495.33167600000002,"C08829","Makisterone B","C28H46O7",494.32440000000003,"M+H",3]
["Multiple",497.34593949999999,497.34727600000002,"C11051","26-Hydroxy-24-epi-brassinolide","C28H48O7",496.34,"M+H",3]
["Multiple",497.34593949999999,497.34727600000002,"C19874","26-Hydroxybrassinolide","C28H48O7",496.34,"M+H",3]
["Multiple",497.34593949999999,497.34727600000002,"C11050","25-Hydroxy-24-epi-brassinolide","C28H48O7",496.34,"M+H",3]
["Multiple",497.34593949999999,497.347576,"C04102","1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine","C24H51NO7P",496.34030000000001,"M+H",3]
["Unique",498.29202800000002,498.28981800000003,"C07657","Netilmicin","C21H41N5O7",475.30059999999997,"M+Na",3]
["Unique",556.12410680000005,556.12731799999995,"C17752","cyclo-Dopa-glucuronylglucoside","C21H27NO15",533.13810000000001,"M+Na",3]
["Unique",596.26787309999997,596.26911800000005,"C03183","Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-[(Phenylmethoxy)carbonyl]glycyl-L-prolyl-L-leucylglycyl-L-proline","C28H39N5O8",573.2799,"M+Na",3]
["Unique",597.26953479999997,597.26701800000001,"C08849","Asclepin","C31H42O10",574.27779999999996,"M+Na",3]
["Multiple",623.31729700000005,623.31157599999995,"C17387","Cycleanine","C38H42N2O6",622.30430000000001,"M+H",3]
["Multiple",623.31729700000005,623.31157599999995,"C09590","Thalmidine;(+)-O-Methylthalicberine","C38H42N2O6",622.30430000000001,"M+H",3]
["Multiple",623.31729700000005,623.31157599999995,"C09596","Obaberine","C38H42N2O6",622.30430000000001,"M+H",3]
["Multiple",623.31729700000005,623.31157599999995,"C09624","Rodiasine","C38H42N2O6",622.30430000000001,"M+H",3]
["Multiple",623.31729700000005,623.31157599999995,"C09654","(+)-Tetrandrine;Tetrandrine","C38H42N2O6",622.30430000000001,"M+H",3]
["Multiple",623.31729700000005,623.31157599999995,"C17060","Isotetrandrine","C38H42N2O6",622.30430000000001,"M+H",3]
["Multiple",623.31729700000005,623.31901800000003,"C11970","5-Oxoavermectin ''2a'' aglycone","C34H48O9",600.32979999999998,"M+Na",3]
["Unique",1006.491986,1006.501518,"C16108","Adrenorphin","C44H69N15O9S",983.51229999999998,"M+Na",3]

{"sheet":"Categorical diagnosis","index":4,"n_rows":117,"n_cols":9,"rows_kept":117,"cut":false,"hidden":false,"merged":[]}
["Supplementary Data 1. Putative annotation of differentially abundant metabolite features between naïve and semi-immune volunteers at the time of diagnosis"]
["MatchCategory","mz","theoretical.mz","KEGGID","Name","Formula","MonoisotopicMass","Adduct","Annotation_level"]
["Unique",123.05564750000001,123.05527600000001,"C00153","Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP","C6H6N2O",122.048,"M+H",1]
["Unique",130.06561210000001,130.065076,"C06413","Quinoline;Benzo[b]pyridine","C9H7N",129.05779999999999,"M+H",1]
["Unique",144.0813249,144.08077599999999,"C14790","1-Naphthylamine","C10H9N",143.0735,"M+H",1]
["Unique",220.11864829999999,220.117976,"C00864","Pantothenate;Pantothenic acid;(R)-Pantothenate","C9H17NO5",219.11070000000001,"M+H",1]
["Unique",106.0502,106.04989999999999,"C00065","L-Serine","C3H7NO3",105.0425,"M+H",1]
["Multiple",133.1015969,133.10117600000001,"C14411","Dicyclopentadiene","C10H12",132.09389999999999,"M+H",3]
["Multiple",133.1015969,133.10117600000001,"C14114","Tetralin;1,2,3,4-Tetrahydronaphthalene","C10H12",132.09389999999999,"M+H",3]
["Multiple",153.03329099999999,153.032218,"C16484","1-Fluorocyclohexadiene-cis,cis-1,2-diol","C6H7FO2",130.04300000000001,"M+Na",3]
["Multiple",153.03329099999999,153.032218,"C16483","4-Fluorocyclohexadiene-cis,cis-1,2-diol","C6H7FO2",130.04300000000001,"M+Na",3]
["Multiple",159.0654433,159.06517600000001,"C04670","(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate","C7H10O4",158.05789999999999,"M+H",3]
["Multiple",159.0654433,159.06517600000001,"C02631","2-Isopropylmaleate;beta-Isopropylmaleate","C7H10O4",158.05789999999999,"M+H",3]
["Multiple",159.0654433,159.06517600000001,"C04815","5-D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-one;5D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxy-2-cyclohexen-1-one","C7H10O4",158.05789999999999,"M+H",3]
["Multiple",159.0654433,159.06517600000001,"C05126","Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid, 2-methyl-, dimethyl ester, (Z)-;Citraconate de dimethyle;Citraconic acid, dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid, dimethyl ester","C7H10O4",158.05789999999999,"M+H",3]
["Multiple",159.0654433,159.06411800000001,"C05650","Tetrahydropteridine;5,6,7,8-Tetrahydropteridine","C6H8N4",136.07490000000001,"M+Na",3]
["Multiple",173.06776740000001,173.06851800000001,"C17512","N-Methylanthranilamide;N-Methyl-2-aminobenzamide","C8H10N2O",150.07929999999999,"M+Na",3]
["Multiple",173.06776740000001,173.06851800000001,"C19680","N,N-Dimethyl-4-nitrosoaniline;Accelerine","C8H10N2O",150.07929999999999,"M+Na",3]
["Unique",173.11837270000001,173.117176,"C16322","9-Oxononanoic acid","C9H16O3",172.10990000000001,"M+H",3]
["Unique",195.07707980000001,195.07801799999999,"C16928","Capillone;1-Phenyl-2,4-hexadiene-1-one","C12H12O",172.08879999999999,"M+Na",3]
["Multiple",207.1026085,207.10157599999999,"C12458","3-Dimethylallyl-4-hydroxybenzoate","C12H14O3",206.0943,"M+H",3]
["Multiple",207.1026085,207.10157599999999,"C14567","Acetyleugenol","C12H14O3",206.0943,"M+H",3]
["Multiple",207.1026085,207.10157599999999,"C04000","Benzyl 2-methyl-3-oxobutanoate","C12H14O3",206.0943,"M+H",3]
["Multiple",207.1026085,207.10157599999999,"C10476","p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate","C12H14O3",206.0943,"M+H",3]
["Unique",213.000247,213.000618,"C05379","Oxalosuccinate;Oxalosuccinic acid","C6H6O7",190.01140000000001,"M+Na",3]
["Unique",219.09833889999999,219.097576,"C03738","gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine","C8H14N2O5",218.09030000000001,"M+H",3]
["Unique",253.16521739999999,253.165876,"C10926","Hexazinone","C12H20N4O2",252.15860000000001,"M+H",3]
["Unique",280.17307019999998,280.17297600000001,"C18898","Tiocarbazil;Thiocarbazil","C16H25NOS",279.16570000000002,"M+H",3]
["Multiple",281.17147820000002,281.17231800000002,"C14253","Dibutyl adipate;Di-n-butyl adipate","C14H26O4",258.18310000000002,"M+Na",3]
["Multiple",281.17147820000002,281.17231800000002,"C14260","Diisobutyl adipate","C14H26O4",258.18310000000002,"M+Na",3]
["Unique",282.13145889999998,282.13357600000001,"C10150","Harzianopyridone","C14H19NO5",281.12630000000001,"M+H",3]
["Multiple",287.13729430000001,287.13897600000001,"C11819","Cromakalim","C16H18N2O3",286.13170000000002,"M+H",3]
["Multiple",287.13729430000001,287.13897600000001,"C19076","Difenoxuron","C16H18N2O3",286.13170000000002,"M+H",3]
["Multiple",287.13729430000001,287.136618,"C10497","Feruloylputrescine;Subaphyllin","C14H20N2O3",264.1474,"M+Na",3]
["Multiple",287.13729430000001,287.13897600000001,"C11697","Levcromakalim;(-)-Cromakalim","C16H18N2O3",286.13170000000002,"M+H",3]
["Multiple",287.13729430000001,287.13897600000001,"C10610","Pilosine","C16H18N2O3",286.13170000000002,"M+H",3]
["Multiple",287.13729430000001,287.13967600000001,"C19015","Schradan;Octamethyl pyrophosphortetramide","C8H24N4O3P2",286.13240000000002,"M+H",3]
["Multiple",295.2274372,295.22677599999997,"C04594","(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acid;(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoate;13(S)-EOD","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.2274372,295.22677599999997,"C14765","13-OxoODE;13-KODE;(9Z,11E)-13-Oxooctadeca-9,11-dienoic acid","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.2274372,295.22677599999997,"C16316","13(S)-HOT;(9Z,11E,15Z)-(13S)-Hydroxyoctadeca-9,11,15-trienoate;(9Z,11E,15Z)-(13S)-13-Hydroxyoctadeca-9,11,15-trienoic acid;(9Z,11E,13S,15Z)-13-Hydroxyoctadeca-9,11,15-trienoic acid;13(S)-HOTrE","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.2274372,295.22677599999997,"C16346","17-Hydroxylinolenic acid;(9Z,12Z,15Z)-17-Hydroxyoctadecatri-9,12,15-enoic acid","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.2274372,295.22677599999997,"C16342","2(R)-HOT;(2R)-(9Z,12Z,15Z)-2-Hydroxyoctadecatri-9,12,15-enoic acid;2(R)-HOTrE","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.2274372,295.22677599999997,"C13798","8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.2274372,295.22677599999997,"C04780","8-[(1R,2R)-3-Oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate;OPC-8:0","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.2274372,295.22677599999997,"C14766","9-OxoODE;9-KODE;(10E,12Z)-9-Oxooctadeca-10,12-dienoic acid","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.2274372,295.22677599999997,"C16326","9(S)-HOT;(9S)-(10E,12Z,15Z)-9-Hydroxyoctadecatri-10,12,15-enoic acid;9(S)-HOTrE","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.2274372,295.22677599999997,"C19827","Colneleate;(8E)-9-[(1E,3Z)-Nona-1,3-dien-1-yloxy]non-8-enoate","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",295.2274372,295.22677599999997,"C19613","Juvenile hormone I","C18H30O3",294.21949999999998,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C09159","(+)-Pimaric acid;Dextropimaric acid","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C12083","(5Z,7E,9E,14Z,17Z)-Eicosapentaenoic acid;(5Z,7E,9E,14Z,17Z)-Eicosapentaenoate","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C06428","(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid;(5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;5,8,11,14,17-Icosapentaenoic acid;(5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoate","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C15008","1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-7-isopropyl-1,4a-dimethyl-1-phenanthrenemethanol","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C15003","17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C15318","17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C15070","17beta-Hydroxy-1,17-dimethylestr-5(10)-en-3-one","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C15460","17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C15259","17beta-Hydroxy-2alpha,17-dimethylestr-4-en-3-one;2alpha,17-Dimethyl-19-nortestosterone","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C15412","17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C15017","17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C15184","17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C14890","17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C14588","17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C15188","19-Nor-5alpha-pregnane-3,20-dione","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C15036","2alpha-Methyl-5alpha-androstane-3,17-dione","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C20149","9beta-Pimara-7,15-dien-19-oate","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C06087","Abietate;Abietic acid","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C09118","Isopimaric acid","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C11874","Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C11888","Levopimaric acid;L-Pimaric acid","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C07198","Methyltestosterone","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C14255","Mibolerone;17-beta-Hydroxy-7-alpha,17-dimethylestr-4-en-3-one","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C11889","Neoabietic acid","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C09148","Oryzalexin A","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C12077","Palustric acid;NSC 148945;8,13-Abietadien-18-oic acid","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C14490","Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one","C20H30O2",302.22460000000001,"M+H",3]
["Multiple",303.23250259999998,303.231876,"C20208","syn-Stemoden-19-oate","C20H30O2",302.22460000000001,"M+H",3]
["Unique",314.14747219999998,314.14751799999999,"C09176","Eseridine","C15H21N3O3",291.1583,"M+Na",3]
["Multiple",315.25510259999999,315.25297599999999,"C20702","(8E,10S)-10-Hydroperoxyoctadeca-8-enoate;(8E,10S)-10-Hydroperoxy-8-octadecenoate","C18H34O4",314.2457,"M+H",3]
["Multiple",315.25510259999999,315.25297599999999,"C07355","(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid;(Z)-(7S,8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S,8S)-Dihydroxyoctadeca-9-enoate","C18H34O4",314.2457,"M+H",3]
["Multiple",315.25510259999999,315.25297599999999,"C14829","12,13-DHOME;12,13-DHOA;(9Z)-12,13-Dihydroxyoctadec-9-enoic acid","C18H34O4",314.2457,"M+H",3]
["Multiple",315.25510259999999,315.25297599999999,"C14828","9,10-DHOME;9,10-DHOA;(12Z)-9,10-Dihydroxyoctadec-12-enoic acid","C18H34O4",314.2457,"M+H",3]
["Multiple",315.25510259999999,315.25297599999999,"C19620","9,10-Epoxy-18-hydroxystearate","C18H34O4",314.2457,"M+H",3]
["Unique",324.18134609999998,324.18057599999997,"C18772","Alloxydim","C17H25NO5",323.17329999999998,"M+H",3]
["Unique",340.24886629999997,340.24851799999999,"C07811","Hexocyclium","C20H33N2O",317.2593,"M+Na",3]
["Unique",363.01777199999998,363.01611800000001,"C11021","Diclofop methyl","C16H14Cl2O4",340.02690000000001,"M+Na",3]
["Multiple",377.23325190000003,377.22981800000002,"C04843","(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoate;(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoic acid;Trioxilin A3","C20H34O5",354.24059999999997,"M+Na",3]
["Multiple",377.23325190000003,377.22981800000002,"C05959","11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a","C20H34O5",354.24059999999997,"M+Na",3]
["Multiple",377.23325190000003,377.22981800000002,"C14782","11,12,15-THETA;11,12,15-Trihydroxyicosatrienoic acid;(5Z,8Z,13E)-(15S)-11,12,15-Trihydroxyeicosa-5,8,12-trienoic acid;(5Z,8Z,13E)-(15S)-11,12,15-Trihydroxyicosa-5,8,12-trienoic acid","C20H34O5",354.24059999999997,"M+Na",3]
["Multiple",377.23325190000003,377.22981800000002,"C14814","11,14,15-THETA;11,14,15-Trihydroxyicosatrienoic acid;(5Z,8Z,12E)-11,14,15-Trihydroxyeicosa-5,8,12-trienoic acid;(5Z,8Z,12E)-11,14,15-Trihydroxyicosa-5,8,12-trienoic acid","C20H34O5",354.24059999999997,"M+Na",3]
["Multiple",377.23325190000003,377.22981800000002,"C13809","9,11,15-Trihydroxy-prosta-5,13-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha","C20H34O5",354.24059999999997,"M+Na",3]
["Multiple",377.23325190000003,377.22981800000002,"C04741","Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate;PGE1","C20H34O5",354.24059999999997,"M+Na",3]
["Multiple",377.23325190000003,377.22981800000002,"C06438","Prostaglandin D1","C20H34O5",354.24059999999997,"M+Na",3]
["Multiple",377.23325190000003,377.22981800000002,"C00639","Prostaglandin F2alpha;(5Z,13E)-(15S)-9alpha,11alpha,15-Trihydroxyprosta-5,13-dienoate;(+)-Prostaglandin F2a;7-[3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoic acid;9a,11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;9,11,15-Trihydroxy-(5Z,9a,11a,13E,15S)-prosta-5,13-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z,9alpha,11alpha,13E,15S)-9,11,15-Trihydroxyprosta-5,13-dienoate","C20H34O5",354.24059999999997,"M+Na",3]
["Multiple",377.23325190000003,377.22981800000002,"C02314","Prostaglandin F2beta;Prostaglandin F2b;Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-,(5Z,9beta,11alpha,13E,15S)-;5-Heptenoic acid, 7-[3,5-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl]-, stereoisomer;9beta,11alpha-PGF2a;9beta,11alpha-PGF2alpha;PGF2b;PGF2beta","C20H34O5",354.24059999999997,"M+Na",3]
["Multiple",377.23325190000003,377.23227600000001,"C18178","Resolvin D1;7S,8R,17S-Trihydroxydocosa-4Z,9E,11E,13Z,15E,19Z-hexaenoic acid","C22H32O5",376.22500000000002,"M+H",3]
["Multiple",377.23325190000003,377.23227600000001,"C18179","Resolvin D2","C22H32O5",376.22500000000002,"M+H",3]
["Multiple",377.23325190000003,377.22981800000002,"C14809","Trioxilin A3;(5Z,9E,14Z)-(11R,12S)-8,11,12-Trihydroxyeicosa-5,9,14-trienoic acid;(5Z,9E,14Z)-(11R,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoic acid","C20H34O5",354.24059999999997,"M+Na",3]
["Multiple",377.23325190000003,377.22981800000002,"C14811","Trioxilin B3;(5Z,8Z,14Z)-(11S,12R)-10,11,12-Trihydroxyeicosa-5,8,14-trienoic acid;(5Z,8Z,14Z)-(11S,12R)-10,11,12-Trihydroxyicosa-5,8,14-trienoic acid","C20H34O5",354.24059999999997,"M+Na",3]
["Unique",385.03690940000001,385.03821799999997,"C13833","NS 1619","C15H8F6N2O2",362.04899999999998,"M+Na",3]
["Unique",416.71343610000002,416.710418,"C13383","Iodoform","CHI3",393.72120000000001,"M+Na",3]
["Unique",422.32517469999999,422.324118,"C02990","L-Palmitoylcarnitine","C23H45NO4",399.3349,"M+Na",3]
["Multiple",445.13431650000001,445.131618,"C11660","10-Hydroxymorroniside","C17H26O12",422.14240000000001,"M+Na",3]
["Multiple",445.13431650000001,445.13491800000003,"C15155","9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione","C22H31BrO3",422.14569999999998,"M+Na",3]
["Multiple",445.13431650000001,445.131618,"C11644","Lamiide","C17H26O12",422.14240000000001,"M+Na",3]
["Unique",456.84422030000002,456.840418,"C04367","3-(3,5-Diiodo-4-hydroxyphenyl)lactate","C9H8I2O4",433.85120000000001,"M+Na",3]
["Multiple",457.23331200000001,457.23251800000003,"C03630","Oleoylglycerone phosphate","C21H39O7P",434.24329999999998,"M+Na",3]
["Multiple",457.23331200000001,457.23327599999999,"C01626","Vindoline","C25H32N2O6",456.226,"M+H",3]
["Unique",462.73930369999999,462.73491799999999,"C18113","1,2,3,4,6,7,8,9-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135","C12Cl8O",439.7457,"M+Na",3]
["Multiple",487.30015650000001,487.30301800000001,"C16496","3-Epiecdysone","C27H44O6",464.31380000000001,"M+Na",3]
["Multiple",487.30015650000001,487.30301800000001,"C00477","Ecdysone","C27H44O6",464.31380000000001,"M+Na",3]
["Multiple",487.30015650000001,487.30301800000001,"C08835","Ponasterone A","C27H44O6",464.31380000000001,"M+Na",3]
["Multiple",555.29722879999997,555.29621799999995,"C05468","5beta-Cyprinolsulfate","C27H48O8S",532.30700000000002,"M+Na",3]
["Multiple",555.29722879999997,555.29527599999994,"C09916","Acrovestone","C32H42O8",554.28800000000001,"M+H",3]
["Multiple",555.29722879999997,555.29281800000001,"C08801","Cucurbitacin J","C30H44O8",532.30359999999996,"M+Na",3]
["Multiple",555.29722879999997,555.29657599999996,"C10006","Integerressine","C33H38N4O4",554.28930000000003,"M+H",3]
["Multiple",555.29722879999997,555.29281800000001,"C09185","Simplexin","C30H44O8",532.30359999999996,"M+Na",3]
["Unique",556.12410680000005,556.12731799999995,"C17752","cyclo-Dopa-glucuronylglucoside","C21H27NO15",533.13810000000001,"M+Na",3]

{"sheet":"Categorical post-treatment","index":5,"n_rows":255,"n_cols":9,"rows_kept":255,"cut":false,"hidden":false,"merged":[]}
["Supplementary Data 1. Putative annotation of differentially abundant metabolite features between naïve and semi-immune volunteers after treatment."]
["MatchCategory","mz","theoretical.mz","KEGGID","Name","Formula","MonoisotopicMass","Adduct","Annotation_level"]
["Unique",130.06561210000001,130.065076,"C06413","Quinoline;Benzo[b]pyridine","C9H7N",129.05779999999999,"M+H",1]
["Unique",147.07692900000001,147.07637600000001,"C00303","Glutamine;2-Aminoglutaramic acid","C5H10N2O3",146.06909999999999,"M+H",1]
["Unique",160.07572490000001,160.07567599999999,"C00637","Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde","C10H9NO",159.0684,"M+H",1]
["Multiple",85.065073589999997,85.064775999999995,"C15604","Prenal","C5H8O",84.057500000000005,"M+H",3]
["Multiple",85.065073589999997,85.064775999999995,"C07330","3-Methyl-2-butenal;3-Methylbut-2-enal;3,3-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal","C5H8O",84.057500000000005,"M+H",3]
["Multiple",85.065073589999997,85.064775999999995,"C00557","Cyclopentanone","C5H8O",84.057500000000005,"M+H",3]
["Multiple",98.984474570000003,98.984275999999994,"C12554","Potassium acetate","C2H3O2. K",97.977000000000004,"M+H",3]
["Multiple",98.984474570000003,98.984176000000005,"C00009","Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid","H3PO4",97.976900000000001,"M+H",3]
["Multiple",99.080667430000005,99.080476000000004,"C00414","Cyclohexanone","C6H10O",98.0732,"M+H",3]
["Multiple",99.080667430000005,99.080476000000004,"C16310","3-Hexenal;(3Z)-Hexenal","C6H10O",98.0732,"M+H",3]
["Multiple",99.080667430000005,99.080476000000004,"C08497","(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde","C6H10O",98.0732,"M+H",3]
["Multiple",115.050613,115.05017599999999,"C02512","3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine","C4H6N2O2",114.0429,"M+H",3]
["Multiple",115.050613,115.05017599999999,"C00429","5,6-Dihydrouracil;Dihydro-2,4(1H,3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;5,6-Dihydro-2,4-dihydroxypyrimidine;Hydrouracil;2,4-Dioxotetrahydropyrimidine","C4H6N2O2",114.0429,"M+H",3]
["Multiple",115.050613,115.05017599999999,"C08311","Muscimol","C4H6N2O2",114.0429,"M+H",3]
["Multiple",115.050613,115.05017599999999,"C02777","2,5-Dioxopiperazine;Diketopiperazine;2,5-Diazacyclohexane-1,4-dione;2,5-Piperazinedione;Glycine anhydride","C4H6N2O2",114.0429,"M+H",3]
["Multiple",115.050613,115.05017599999999,"C02565","N-Methylhydantoin;N-Methylimidazolidine-2,4-dione","C4H6N2O2",114.0429,"M+H",3]
["Unique",144.9826683,144.98157599999999,"C18399","Ethephon","C2H6ClO3P",143.9743,"M+H",3]
["Unique",148.08002759999999,148.07907599999999,"C17245","5-Methylthiopentanaldoxime","C6H13NOS",147.0718,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C00642","4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C12305","Methyl salicylate;Methyl 2-hydroxybenzoate","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C00755","4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C01983","(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C04043","3,4-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C14088","3-Methylsalicylate","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C02639","3-Methoxytropolone","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C13636","4-Hydroxyphenyl acetate","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C14103","4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C02657","6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C02519","4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C01984","(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C02181","Phenoxyacetate;Phenoxyacetic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C05852","2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C12064","Resorcinol monoacetate","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C10804","2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C13635","4-Hydroxyphenacyl alcohol;2,4'-Dihydroxyacetophenone","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C14108","4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C05593","3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C03663","2',4'-Dihydroxyacetophenone;2,4-Dihydroxyacetophenone;Resacetophenone","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C10675","3',4'-Dihydroxyacetophenone","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",153.05516639999999,153.054576,"C17900","Menisdaurilide","C8H8O3",152.04730000000001,"M+H",3]
["Multiple",155.0708468,155.07027600000001,"C06317","Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol","C8H10O3",154.06299999999999,"M+H",3]
["Multiple",155.0708468,155.07027600000001,"C10787","2,6-Dimethoxyphenol;Pyrogallol 1,3-dimethyl ether","C8H10O3",154.06299999999999,"M+H",3]
["Multiple",158.08151860000001,158.081176,"C17724","Ethadione","C7H11NO3",157.07390000000001,"M+H",3]
["Multiple",158.08151860000001,158.081176,"C17361","2-Hydroxyethylclavam;Hydroxyethylclavam","C7H11NO3",157.07390000000001,"M+H",3]
["Multiple",158.08151860000001,158.081176,"C07411","Paramethadione","C7H11NO3",157.07390000000001,"M+H",3]
["Multiple",161.06030730000001,161.059676,"C07726","1-Formyl-2-indanone","C10H8O2",160.05240000000001,"M+H",3]
["Multiple",161.06030730000001,161.059676,"C14785","1,4-Dihydroxynaphthalene;1,4-Naphthohydroquinone;Naphthalene-1,4-diol","C10H8O2",160.05240000000001,"M+H",3]
["Multiple",161.06030730000001,161.059676,"C07719","2-Formyl-1-indanone","C10H8O2",160.05240000000001,"M+H",3]
["Multiple",161.06030730000001,161.059676,"C16213","2,3-Dihydroxynaphthalene","C10H8O2",160.05240000000001,"M+H",3]
["Multiple",161.06030730000001,161.059676,"C03012","Naphthalene-1,2-diol;1,2-Naphthalenediol;beta-Naphthohydroquinone;1,2-Dihydroxynaphthalene","C10H8O2",160.05240000000001,"M+H",3]
["Multiple",167.03441760000001,167.03387599999999,"C14100","4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid","C8H6O4",166.0266,"M+H",3]
["Multiple",167.03441760000001,167.03387599999999,"C01606","Phthalate;o-Phthalic acid;1,2-Benzenedicarboxylic acid","C8H6O4",166.0266,"M+H",3]
["Multiple",167.03441760000001,167.03387599999999,"C14096","3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid","C8H6O4",166.0266,"M+H",3]
["Multiple",167.03441760000001,167.03387599999999,"C03590","4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate","C8H6O4",166.0266,"M+H",3]
["Multiple",167.03441760000001,167.03387599999999,"C06337","Terephthalate;Terephthalic acid;1,4-Benzenedicarboxylic acid","C8H6O4",166.0266,"M+H",3]
["Multiple",169.0463622,169.04711800000001,"C01053","(R)-4-Dehydropantoate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C00659","2-Aceto-2-hydroxybutanoate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C00772","Mevaldate;Mevaldic acid","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C00966","2-Dehydropantoate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C04237","3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C06762","4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C06006","(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C06104","Adipate;Adipic acid;Hexanedioate;Hexan-1,6-dicarboxylate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C14463","(R)-3-Hydroxy-3-methyl-2-oxopentanoate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.0463622,169.04711800000001,"C16272","3-Hydroxy-5-oxohexanoate","C6H10O4",146.05789999999999,"M+Na",3]
["Multiple",169.05010530000001,169.049576,"C03235","4-Hydroxypheoxyacetate","C8H8O4",168.04230000000001,"M+H",3]
["Multiple",169.05010530000001,169.049576,"C05343","(R)-4-Hydroxymandelate","C8H8O4",168.04230000000001,"M+H",3]
["Multiple",169.05010530000001,169.049576,"C10331","2,6-Dimethoxybenzoquinone;2,6-Dimetoxy-p-benzoquinone","C8H8O4",168.04230000000001,"M+H",3]
["Multiple",169.05010530000001,169.049576,"C01839","Orsellinate;o-Orsellinic acid;2,4-Dihydroxy-6-methylbenzoic acid;2,4-Dihydroxy-6-methylbenzoate;4,6-Dihydroxy-o-toluic acid","C8H8O4",168.04230000000001,"M+H",3]
["Multiple",169.05010530000001,169.049576,"C16215","1,2-Dihydrophthalic acid;Cyclohexa-3,5-diene-1,2-dicarboxylate","C8H8O4",168.04230000000001,"M+H",3]
["Multiple",169.05010530000001,169.049576,"C11527","4-Hydroxymandelate;4-Hydroxymandelic acid","C8H8O4",168.04230000000001,"M+H",3]
["Multiple",169.05010530000001,169.049576,"C00544","Homogentisate;Homogentisic acid;2,5-Dihydroxyphenylacetic acid;2,5-Dihydroxyphenylacetate","C8H8O4",168.04230000000001,"M+H",3]
["Multiple",169.05010530000001,169.049576,"C07087","2-Hydroxy-6-oxoocta-2,4,7-trienoate","C8H8O4",168.04230000000001,"M+H",3]
["Multiple",169.05010530000001,169.049576,"C01161","3,4-Dihydroxyphenylacetate;3,4-Dihydroxyphenylacetic acid;Homoprotocatechuate","C8H8O4",168.04230000000001,"M+H",3]
["Multiple",169.05010530000001,169.049576,"C03198","(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate","C8H8O4",168.04230000000001,"M+H",3]
["Multiple",169.05010530000001,169.049576,"C14109","4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid","C8H8O4",168.04230000000001,"M+H",3]
["Multiple",169.05010530000001,169.049576,"C06207","2,6-Dihydroxyphenylacetate","C8H8O4",168.04230000000001,"M+H",3]
["Multiple",169.05010530000001,169.049576,"C05577","3,4-Dihydroxymandelaldehyde;3,4-Dihydroxyphenylglycolaldehyde","C8H8O4",168.04230000000001,"M+H",3]
["Multiple",169.05010530000001,169.049576,"C06672","Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid","C8H8O4",168.04230000000001,"M+H",3]
["Multiple",177.0551907,177.054576,"C03081","4-Methylumbelliferone;Hymecromone","C10H8O3",176.04730000000001,"M+H",3]
["Multiple",177.0551907,177.054576,"C09268","Herniarin;7-Methoxycoumarin","C10H8O3",176.04730000000001,"M+H",3]
["Multiple",177.0551907,177.054576,"C01173","1,3,8-Naphthalenertriol;1,3,8-Trihydroxynaphthalene","C10H8O3",176.04730000000001,"M+H",3]
["Multiple",177.0551907,177.056318,"C18980","Dimefox","C4H12FN2OP",154.06710000000001,"M+Na",3]
["Unique",180.99048239999999,180.99061800000001,"C20360","Sodium methallylsulfonate;Sodium methallyl sulfonate","C4H7O3S. Na",158.00139999999999,"M+Na",3]
["Multiple",181.00963400000001,181.010718,"C06035","4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate","C6H6O5",158.0215,"M+Na",3]
["Multiple",181.00963400000001,181.010718,"C03453","gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate","C6H6O5",158.0215,"M+Na",3]
["Multiple",181.00963400000001,181.010718,"C02501","2-Hydroxymuconate","C6H6O5",158.0215,"M+Na",3]
["Multiple",181.00963400000001,181.010718,"C02222","2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate","C6H6O5",158.0215,"M+Na",3]
["Multiple",181.00963400000001,181.010718,"C03676","3-Hydroxy-cis,cis-muconate","C6H6O5",158.0215,"M+Na",3]
["Multiple",184.09506690000001,184.09677600000001,"C00788","L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-[(1R)-1-Hydroxy-2-(methylamino)ethyl]-1,2-benzenediol","C9H13NO3",183.08949999999999,"M+H",3]
["Multiple",184.09506690000001,184.09677600000001,"C17925","Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline","C9H13NO3",183.08949999999999,"M+H",3]
["Multiple",184.09506690000001,184.09677600000001,"C05589","L-Normetanephrine","C9H13NO3",183.08949999999999,"M+H",3]
["Multiple",184.09506690000001,184.09677600000001,"C11768","Levonordefrin;alpha-Methylnoradrenaline","C9H13NO3",183.08949999999999,"M+H",3]
["Multiple",184.09506690000001,184.09441799999999,"C00318","L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium hydroxide, inner salt;Levocarnitine;(R)-Carnitine","C7H15NO3",161.1052,"M+Na",3]
["Multiple",184.09506690000001,184.09441799999999,"C15025","(S)-Carnitine;D-Carnitine","C7H15NO3",161.1052,"M+Na",3]
["Multiple",185.07921260000001,185.08087599999999,"C05594","3-Methoxy-4-hydroxyphenylethyleneglycol","C9H12O4",184.0736,"M+H",3]
["Multiple",185.07921260000001,185.08087599999999,"C06582","2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate","C9H12O4",184.0736,"M+H",3]
["Multiple",185.07921260000001,185.08087599999999,"C11456","cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol","C9H12O4",184.0736,"M+H",3]
["Multiple",185.07921260000001,185.08087599999999,"C11588","cis-3-(Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol;cis-3-(2-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol;3-(cis-5,6-Dihydroxycyclohexa-1,3-dien-1-yl)propanoate","C9H12O4",184.0736,"M+H",3]
["Multiple",185.07921260000001,185.08087599999999,"C10765","Antiarol;3,4,5-Trimethoxyphenol","C9H12O4",184.0736,"M+H",3]
["Multiple",185.07921260000001,185.08087599999999,"C04535","7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate","C9H12O4",184.0736,"M+H",3]
["Multiple",185.07921260000001,185.078418,"C08237","Oleandrose;beta-L-Oleandropyranose","C7H14O4",162.08920000000001,"M+Na",3]
["Multiple",185.07921260000001,185.078418,"C08234","beta-Cymaropyranose;D-Cymarose;Cymarose;2,6-Dideoxy-3-O-methyl-D-ribo-hexose","C7H14O4",162.08920000000001,"M+Na",3]
["Unique",194.02268849999999,194.024618,"C14412","4-Toluenesulfonamide","C7H9NO2S",171.03540000000001,"M+Na",3]
["Unique",195.07707980000001,195.07801799999999,"C16928","Capillone;1-Phenyl-2,4-hexadiene-1-one","C12H12O",172.08879999999999,"M+Na",3]
["Multiple",197.04187329999999,197.04201800000001,"C16588","2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid","C7H10O5",174.05279999999999,"M+Na",3]
["Multiple",197.04187329999999,197.04201800000001,"C04236","(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate","C7H10O5",174.05279999999999,"M+Na",3]
["Multiple",197.04187329999999,197.04201800000001,"C18312","4-Methyl-3-oxoadipate","C7H10O5",174.05279999999999,"M+Na",3]
["Multiple",197.04187329999999,197.04201800000001,"C00493","Shikimate;Shikimic acid;3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid","C7H10O5",174.05279999999999,"M+Na",3]
["Multiple",197.04187329999999,197.04201800000001,"C18307","2-Methyl-3-oxoadipate","C7H10O5",174.05279999999999,"M+Na",3]
["Unique",197.99290669999999,197.992818,"C20670","2-Amino-5-chloromuconate 6-semialdehyde","C6H6ClNO3",175.00360000000001,"M+Na",3]
["Multiple",206.06742980000001,206.066776,"C00248","Lipoamide;Thioctic acid amide","C8H15NOS2",205.05950000000001,"M+H",3]
["Multiple",206.06742980000001,206.06881799999999,"C19186","2-Amino-9H-pyrido[2,3-b]indole;2-Amino-alpha-carboline;A-alpha-C","C11H9N3",183.0796,"M+Na",3]
["Multiple",208.0699606,208.071676,"C16624","Isoniazid pyruvate","C9H9N3O3",207.06440000000001,"M+H",3]
["Multiple",208.0699606,208.071676,"C10902","Methyl 5-hydroxy-2-benzimidazole carbamate","C9H9N3O3",207.06440000000001,"M+H",3]
["Multiple",210.05077299999999,210.05257599999999,"C17949","N-Acetyldemethylphosphinothricin;N-Adpt","C6H12NO5P",209.0453,"M+H",3]
["Multiple",210.05077299999999,210.05171799999999,"C06559","Deethylatrazine","C6H10ClN5",187.0625,"M+Na",3]
["Unique",211.01112989999999,211.009376,"C18719","Dimethipin;2,3-dihydro-5,6-dimethyl-1,4-dithiine 1,1,4,4-tetraoxide","C6H10O4S2",210.00210000000001,"M+H",3]
["Multiple",211.13355089999999,211.13287600000001,"C08491","(-)-Jasmonic acid;Jasmonic acid;{(1R,2R)-3-Oxo-2-[(Z)pent-2-enyl]cyclopent-2-enyl}acetic acid;Jasmonate","C12H18O3",210.12559999999999,"M+H",3]
["Multiple",211.13355089999999,211.13287600000001,"C16317","(+)-7-Isojasmonic acid","C12H18O3",210.12559999999999,"M+H",3]
["Unique",213.16047040000001,213.15977599999999,"C16836","1,4'-Bipiperidine-1'-carboxylic acid;[1,4'-Bipiperidine]-1'-carboxylic acid","C11H20N2O2",212.1525,"M+H",3]
["Multiple",233.15453339999999,233.15357599999999,"C09484","Isoalantolactone","C15H20O2",232.1463,"M+H",3]
["Multiple",233.15453339999999,233.15357599999999,"C09692","Isovelleral","C15H20O2",232.1463,"M+H",3]
["Multiple",233.15453339999999,233.15357599999999,"C09454","Frullanolide","C15H20O2",232.1463,"M+H",3]
["Multiple",233.15453339999999,233.15357599999999,"C09408","Eremofrullanolide","C15H20O2",232.1463,"M+H",3]
["Multiple",233.15453339999999,233.15357599999999,"C09289","Alantolactone","C15H20O2",232.1463,"M+H",3]
["Multiple",233.15453339999999,233.15357599999999,"C17884","3beta-Hydroxyatractylon","C15H20O2",232.1463,"M+H",3]
["Multiple",233.15453339999999,233.15357599999999,"C09382","Costunolide;(+)-Costunolide","C15H20O2",232.1463,"M+H",3]
["Multiple",233.15453339999999,233.15357599999999,"C17488","Furanogermenone","C15H20O2",232.1463,"M+H",3]
["Multiple",233.15453339999999,233.15357599999999,"C17886","Atractylenolide II","C15H20O2",232.1463,"M+H",3]
["Multiple",233.15453339999999,233.15357599999999,"C09710","Pinguisone","C15H20O2",232.1463,"M+H",3]
["Multiple",233.15453339999999,233.15357599999999,"C09466","Glechomanolide","C15H20O2",232.1463,"M+H",3]
["Multiple",233.15453339999999,233.15357599999999,"C09383","alpha-Cyclocostunolide","C15H20O2",232.1463,"M+H",3]
["Multiple",233.15453339999999,233.15357599999999,"C09384","beta-Cyclocostunolide","C15H20O2",232.1463,"M+H",3]
["Unique",236.17342350000001,236.17577600000001,"C07401","Procainamide","C13H21N3O",235.16849999999999,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C02293","Latia luciferin","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C09733","Sirenin","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C16502","Farnesoic acid;trans,trans-Farnesoic acid","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C09700","Lubimin","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C09627","Capsidiol","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C16946","Cyperolone","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C09681","Hernandulcin","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C17604","Kikkanol B","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C09678","Helminthosporol","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",237.18559010000001,237.184876,"C17493","Curdione","C15H24O2",236.17760000000001,"M+H",3]
["Multiple",248.14842759999999,248.14821800000001,"C18768","Terbumeton","C10H19N5O",225.15899999999999,"M+Na",3]
["Multiple",248.14842759999999,248.14821800000001,"C19106","Secbumeton","C10H19N5O",225.15899999999999,"M+Na",3]
["Multiple",248.14842759999999,248.14821800000001,"C14186","Prometon;2,4-Bis(isopropylamino)-6-methoxy-1,3,5-triazine","C10H19N5O",225.15899999999999,"M+Na",3]
["Multiple",251.12869029999999,251.12777600000001,"C14469","Di-n-propylphthalate;Dipropyl phthalate","C14H18O4",250.12049999999999,"M+H",3]
["Multiple",251.12869029999999,251.12777600000001,"C14468","Diisopropyl phthalate","C14H18O4",250.12049999999999,"M+H",3]
["Unique",251.20138650000001,251.20057600000001,"C16503","Methyl farnesoate","C16H26O2",250.19329999999999,"M+H",3]
["Multiple",253.1805856,253.179776,"C16504","Juvenile hormone III acid","C15H24O3",252.17250000000001,"M+H",3]
["Multiple",253.1805856,253.179776,"C17612","Indicumenone","C15H24O3",252.17250000000001,"M+H",3]
["Multiple",253.1805856,253.179776,"C17605","Kikkanol C","C15H24O3",252.17250000000001,"M+H",3]
["Multiple",253.1805856,253.179776,"C09645","Cuauhtemone","C15H24O3",252.17250000000001,"M+H",3]
["Multiple",253.1805856,253.179776,"C17502","Sugetriol","C15H24O3",252.17250000000001,"M+H",3]
["Multiple",253.1805856,253.179776,"C17607","Kikkanol E","C15H24O3",252.17250000000001,"M+H",3]
["Unique",254.81635220000001,254.81617600000001,"C01382","Iodine;I2;Diiodine","I2",253.80889999999999,"M+H",3]
["Multiple",277.1548914,277.156318,"C15082","4-(1-Ethyl-2-phenylbutyl)phenol","C18H22O",254.1671,"M+Na",3]
["Multiple",277.1548914,277.156318,"C14972","3-Deoxyestrone;Adopron;Estra-1,3,5(10)-trien-17-one","C18H22O",254.1671,"M+Na",3]
["Unique",284.29569359999999,284.29477600000001,"C13846","Octadecanamide;Stearamide;Stearic acid amide","C18H37NO",283.28750000000002,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C11782","Dihydromorphine","C17H21NO3",287.15210000000002,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C08526","Galanthamine;Galantamine","C17H21NO3",287.15210000000002,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C09223","Mesembrenone","C17H21NO3",287.15210000000002,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C07239","Ritodrine","C17H21NO3",287.15210000000002,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C06991","Etodolac","C17H21NO3",287.15210000000002,"M+H",3]
["Multiple",288.16078770000001,288.15937600000001,"C12195","Zephyramine","C17H21NO3",287.15210000000002,"M+H",3]
["Multiple",293.17549659999997,293.17477600000001,"C09741","Trichodermin","C17H24O4",292.16750000000002,"M+H",3]
["Multiple",293.17549659999997,293.17477600000001,"C10459","Gingerdione;[6]-Gingerdione","C17H24O4",292.16750000000002,"M+H",3]
["Multiple",297.14887169999997,297.14847600000002,"C10285","4-Prenylresveratrol","C19H20O3",296.14120000000003,"M+H",3]
["Multiple",297.14887169999997,297.146118,"C18131","Geranyl-hydroxybenzoate","C17H22O3",274.15690000000001,"M+Na",3]
["Multiple",297.14887169999997,297.146118,"C09171","Podocarpic acid","C17H22O3",274.15690000000001,"M+Na",3]
["Multiple",297.14887169999997,297.146118,"C14660","Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid","C17H22O3",274.15690000000001,"M+Na",3]
["Multiple",298.14454860000001,298.143776,"C06175","Oripavine","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C06171","Codeinone;(5alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-one","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C09457","Glaziovine","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C15087","3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C06172","Neopinone","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C09340","(-)-Apoglaziovine","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",298.14454860000001,298.143776,"C17077","Tuduranine","C18H19NO3",297.13650000000001,"M+H",3]
["Multiple",303.15490349999999,303.15671800000001,"C19417","3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate","C16H24O4",280.16750000000002,"M+Na",3]
["Multiple",303.15490349999999,303.15671800000001,"C17748","1-(3,4-Dihydroxyphenyl)-5-hydroxy-3-decanone","C16H24O4",280.16750000000002,"M+Na",3]
["Multiple",303.19332989999998,303.19547599999999,"C05284","11beta-Hydroxyandrost-4-ene-3,17-dione;Androst-4-ene-3,17-dione-11beta-ol;4-Androsten-11beta-ol-3,17-dione","C19H26O3",302.18819999999999,"M+H",3]
["Multiple",303.19332989999998,303.19547599999999,"C14269","5alpha-Androstane-3,11,17-trione","C19H26O3",302.18819999999999,"M+H",3]
["Multiple",303.19332989999998,303.19547599999999,"C15103","11alpha,17beta-Dihydroxy-1,4-androstadien-3-one","C19H26O3",302.18819999999999,"M+H",3]
["Multiple",303.19332989999998,303.19547599999999,"C05290","19-Hydroxyandrost-4-ene-3,17-dione;19-Hydroxyandrostenedione","C19H26O3",302.18819999999999,"M+H",3]
["Multiple",303.19332989999998,303.19547599999999,"C05296","7alpha-Hydroxyandrost-4-ene-3,17-dione;7alpha-Hydroxyandrostenedione","C19H26O3",302.18819999999999,"M+H",3]
["Multiple",303.19332989999998,303.19547599999999,"C14256","11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-3,11-dione","C19H26O3",302.18819999999999,"M+H",3]
["Multiple",303.19332989999998,303.19547599999999,"C04676","Testololactone;3-Oxo-13,17-secoandrost-4-ene-17,13alpha-lactone","C19H26O3",302.18819999999999,"M+H",3]
["Multiple",303.19332989999998,303.19547599999999,"C05302","2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta","C19H26O3",302.18819999999999,"M+H",3]
["Multiple",303.19332989999998,303.19547599999999,"C14337","Bioallethrin;Allethrin;Pynamin","C19H26O3",302.18819999999999,"M+H",3]
["Multiple",303.19332989999998,303.19547599999999,"C14593","Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-1,3,5(10)-triene-16alpha,17alpha-diol","C19H26O3",302.18819999999999,"M+H",3]
["Multiple",303.19332989999998,303.19547599999999,"C14907","7alpha,17beta-Dihydroxyandrosta-1,4-dien-3-one","C19H26O3",302.18819999999999,"M+H",3]
["Multiple",303.19332989999998,303.19547599999999,"C05140","16alpha-Hydroxyandrost-4-ene-3,17-dione;4-Androsten-16alpha-ol-3,17-dione","C19H26O3",302.18819999999999,"M+H",3]
["Multiple",303.19332989999998,303.19547599999999,"C05295","19-Oxotestosterone","C19H26O3",302.18819999999999,"M+H",3]
["Multiple",303.19332989999998,303.19547599999999,"C15216","3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-1,3,5(10)-triene-16alpha,17beta-diol","C19H26O3",302.18819999999999,"M+H",3]
["Multiple",303.19332989999998,303.19547599999999,"C15072","6beta,19-Epoxy-17beta-hydroxyandrost-4-en-3-one","C19H26O3",302.18819999999999,"M+H",3]
["Multiple",303.19332989999998,303.19547599999999,"C20693","Carlactone","C19H26O3",302.18819999999999,"M+H",3]
["Multiple",303.19332989999998,303.193018,"C04867","Juvenile hormone II;Methyl (2E,6E)-(10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate","C17H28O3",280.2038,"M+Na",3]
["Multiple",303.19332989999998,303.193018,"C20388","12(S)-HHT;(12S,5Z,8E,10E)-12-Hydroxy-5,8,10-heptadecatrienoic acid","C17H28O3",280.2038,"M+Na",3]
["Multiple",306.24332129999999,306.24277599999999,"C19950","Samandarine","C19H31NO2",305.2355,"M+H",3]
["Multiple",306.24332129999999,306.24277599999999,"C15281","17beta-Nitro-5alpha-androstane","C19H31NO2",305.2355,"M+H",3]
["Unique",310.1627014,310.16487599999999,"C10304","Fulvine","C16H23NO5",309.1576,"M+H",3]
["Unique",314.14747219999998,314.14751799999999,"C09176","Eseridine","C15H21N3O3",291.1583,"M+Na",3]
["Multiple",317.16212539999998,317.164176,"C07141","Timolol","C13H24N4O3S",316.15690000000001,"M+H",3]
["Multiple",317.16212539999998,317.164176,"C18776","Bupirimate","C13H24N4O3S",316.15690000000001,"M+H",3]
["Multiple",317.16212539999998,317.16217599999999,"C10732","O-Methylptelefolonium","C18H22NO4",316.1549,"M+H",3]
["Multiple",317.16212539999998,317.162418,"C06528","Cinchonine;(9S)-Cinchonan-9-ol","C19H22N2O",294.17320000000001,"M+Na",3]
["Multiple",317.16212539999998,317.162418,"C11379","Cinchonidine;(8alpha,9R)-Cinchonan-9-ol","C19H22N2O",294.17320000000001,"M+Na",3]
["Multiple",317.16212539999998,317.162418,"C09149","Eburnamonine;Vinburnine","C19H22N2O",294.17320000000001,"M+Na",3]
["Multiple",317.16212539999998,317.162418,"C11635","10-Deoxysarpagine;Sarpagan-17-ol","C19H22N2O",294.17320000000001,"M+Na",3]
["Multiple",317.16212539999998,317.162418,"C16735","Corynantheal","C19H22N2O",294.17320000000001,"M+Na",3]
["Unique",332.0061829,332.00867599999998,"C10979","Chlozolinate;Dichlozolinate","C13H11Cl2NO5",331.00139999999999,"M+H",3]
["Unique",338.96621549999998,338.96671800000001,"C19004","Lythidathion","C7H13N2O4PS3",315.97750000000002,"M+Na",3]
["Multiple",346.1089581,346.10677600000002,"C19064","Nitralin","C13H19N3O6S",345.09949999999998,"M+H",3]
["Multiple",346.1089581,346.10811799999999,"C19210","CI Basic red 9","C19H17N3. HCl",323.1189,"M+Na",3]
["Multiple",383.33177239999998,383.33087599999999,"C15357","Cholesta-3,5-dien-7-one","C27H42O",382.3236,"M+H",3]
["Multiple",383.33177239999998,383.33087599999999,"C05107","7-Dehydrodesmosterol;Cholesta-5,7,24-triene-3beta-ol","C27H42O",382.3236,"M+H",3]
["Unique",384.10869289999999,384.107776,"C10602","Lilaline","C20H17NO7",383.10050000000001,"M+H",3]
["Multiple",391.2847271,391.28427599999998,"C14227","Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 1,2-benzenedicarboxylate","C24H38O4",390.27699999999999,"M+H",3]
["Multiple",391.2847271,391.28427599999998,"C11637","3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate","C24H38O4",390.27699999999999,"M+H",3]
["Multiple",391.2847271,391.28427599999998,"C14577","Diisooctyl phthalate","C24H38O4",390.27699999999999,"M+H",3]
["Multiple",391.2847271,391.28427599999998,"C03690","Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP","C24H38O4",390.27699999999999,"M+H",3]
["Multiple",391.2847271,391.28427599999998,"C15375","Apocholic acid;3alpha,12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid","C24H38O4",390.27699999999999,"M+H",3]
["Unique",400.34287890000002,400.34217599999999,"C02990","L-Palmitoylcarnitine","C23H45NO4",399.3349,"M+H",3]
["Unique",407.34717260000002,407.34951799999999,"C17873","2-Hydroxytetracosanoic acid","C24H48O3",384.3603,"M+Na",3]
["Unique",416.71343610000002,416.710418,"C13383","Iodoform","CHI3",393.72120000000001,"M+Na",3]
["Unique",422.32517469999999,422.324118,"C02990","L-Palmitoylcarnitine","C23H45NO4",399.3349,"M+Na",3]
["Unique",424.34332000000001,424.34241800000001,"C16893","Stellettamide A","C26H45N2O",401.35320000000002,"M+Na",3]
["Multiple",429.37362990000003,429.37267600000001,"C03910","(24R,24(1)R)-Fucosterol epoxide;(24R,28R)-Fucosterol epoxide;(3beta,24R,28R)-24,28-Epoxystigmast-5-en-3-ol;(24R,24'R)-Fucosterol epoxide","C29H48O2",428.36540000000002,"M+H",3]
["Multiple",429.37362990000003,429.37267600000001,"C11509","3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde","C29H48O2",428.36540000000002,"M+H",3]
["Unique",432.29098310000001,432.28731800000003,"C10829","Veratramine","C27H39NO2",409.29809999999998,"M+Na",3]
["Multiple",495.32936619999998,495.33167600000002,"C16874","Makisterone A","C28H46O7",494.32440000000003,"M+H",3]
["Multiple",495.32936619999998,495.33167600000002,"C08829","Makisterone B","C28H46O7",494.32440000000003,"M+H",3]
["Multiple",497.34593949999999,497.34727600000002,"C11051","26-Hydroxy-24-epi-brassinolide","C28H48O7",496.34,"M+H",3]
["Multiple",497.34593949999999,497.34727600000002,"C11050","25-Hydroxy-24-epi-brassinolide","C28H48O7",496.34,"M+H",3]
["Multiple",497.34593949999999,497.347576,"C04102","1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine","C24H51NO7P",496.34030000000001,"M+H",3]
["Multiple",497.34593949999999,497.34727600000002,"C19874","26-Hydroxybrassinolide","C28H48O7",496.34,"M+H",3]
["Unique",556.12410680000005,556.12731799999995,"C17752","cyclo-Dopa-glucuronylglucoside","C21H27NO15",533.13810000000001,"M+Na",3]
["Unique",569.34431310000002,569.34727599999997,"C11977","6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone","C34H48O7",568.34,"M+H",3]
["Unique",595.36236970000004,595.362976,"C16147","Glycosyl-4,4'-diaponeurosporenoate","C36H50O7",594.35569999999996,"M+H",3]
["Unique",596.26787309999997,596.26911800000005,"C03183","Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-[(Phenylmethoxy)carbonyl]glycyl-L-prolyl-L-leucylglycyl-L-proline","C28H39N5O8",573.2799,"M+Na",3]
["Unique",597.26953479999997,597.26701800000001,"C08849","Asclepin","C31H42O10",574.27779999999996,"M+Na",3]
["Multiple",623.31729700000005,623.31157599999995,"C09624","Rodiasine","C38H42N2O6",622.30430000000001,"M+H",3]
["Multiple",623.31729700000005,623.31157599999995,"C09596","Obaberine","C38H42N2O6",622.30430000000001,"M+H",3]
["Multiple",623.31729700000005,623.31157599999995,"C17060","Isotetrandrine","C38H42N2O6",622.30430000000001,"M+H",3]
["Multiple",623.31729700000005,623.31157599999995,"C17387","Cycleanine","C38H42N2O6",622.30430000000001,"M+H",3]
["Multiple",623.31729700000005,623.31157599999995,"C09654","(+)-Tetrandrine;Tetrandrine","C38H42N2O6",622.30430000000001,"M+H",3]
["Multiple",623.31729700000005,623.31157599999995,"C09590","Thalmidine;(+)-O-Methylthalicberine","C38H42N2O6",622.30430000000001,"M+H",3]
["Multiple",623.31729700000005,623.31901800000003,"C11970","5-Oxoavermectin ''2a'' aglycone","C34H48O9",600.32979999999998,"M+Na",3]
["Multiple",794.42351759999997,794.42971799999998,"C14058","Leucomycin A5","C39H65NO14",771.44050000000004,"M+Na",3]
["Multiple",794.42351759999997,794.42971799999998,"C01687","Tylosin B;Desmycosin","C39H65NO14",771.44050000000004,"M+Na",3]
["Unique",1073.1804380000001,1073.1906759999999,"C00920","CoA-glutathione;Coenzyme A-glutathione mixed disulfide","C31H51N10O22P3S2",1072.1833999999999,"M+H",3]