Compound_ID Name Other_name(Kegg_name) Formula Molecular Weight RT [min] Kegg_ID KEGG_pathway HMDB_ID Lipidmaps_ID SuperClass(HMDB) Class(HMDB) SubClass(HMDB) CATEGORY(Lipidmaps) MAIN_CLASS(Lipidmaps) SUB_CLASS(Lipidmaps) mzCloud_Results mzVault_Results MassList_Results m/z pos_NI1 pos_NI2 pos_NI3 pos_NI4 pos_NI5 pos_NI6 pos_NC1 pos_NC2 pos_NC3 pos_NC4 pos_NC5 pos_NC6 FC log2FC Pvalue ROC VIP Up.Down Com_231_pos 4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid -- C12 H14 O4 222.08886 11.849 -- -- -- -- -- -- -- -- -- -- Full match No results Full match 223.09605 123093338.691 98605320.9294 441923302.039 143576893.251 102018000.448 294124661.444 30057999.9237 17046435.5786 15196184.804 17946381.441 17511389.3218 16683758.3206 10.5148454762481 3.3943557436 0.000118695872345549 1 3.10783661732957 up Com_8560_pos Radicinin -- C12 H12 O5 258.05038 9.581 -- -- -- -- -- -- -- -- -- -- Invalid mass No results No results 259.05771 1157505.30671 291361.631219 1840710.22751 2156550.91202 1289137.2311 1831621.179 130415.266122 76339.8427721 122529.000924 82175.4060673 65408.3686994 129968.048696 14.1173025816763 3.8193925515 0.000143770154620131 1 2.96537589824194 up Com_3051_pos 5,8-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-oxecin-2-one -- C10 H14 O4 220.07341 10.07 -- -- -- -- -- -- -- -- -- -- Invalid mass No results No results 221.08063 4287434.22314 1525183.03084 13816548.5472 7288614.40479 5932497.90829 7945783.20849 725917.051941 415335.518654 514194.648096 496502.546482 387393.380424 421670.388038 13.7777355149971 3.78426688353 0.000263286290897279 1 2.95554192870104 up Com_174_pos Terephthalic Acid Terephthalate; Terephthalic acid; 1,4-Benzenedicarboxylic acid C8 H6 O4 166.02639 11.852 cpd:C06337 map01100 Metabolic pathways HMDB0002428 -- Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives -- -- -- No results No results Full match 167.03362 159341007.585 119821295.642 600576299.941 182481714.929 130384941.623 366370874.915 51994172.9123 30008372.6191 33927364.4885 34841539.9549 30443152.0709 31831931.4591 7.3175381405578 2.87135836029 0.000557321457247041 1 2.96027838962735 up Com_6807_pos 1-Methylguanosine -- C11 H15 N5 O5 297.1073 6.159 -- -- HMDB0001563 -- "Nucleosides, nucleotides, and analogues" Purine nucleosides _ -- -- -- No results No results Full match 298.11465 551134.749122 405829.212951 1773978.60246 903656.842738 302224.331192 278579.23516 95691.2939761 60393.1775279 66307.8996894 93550.9627444 61269.7340258 325868.928357 5.99560648072804 2.58390569567 0.00109827889254767 0.944444444444444 2.31625278645464 up Com_7722_pos 2'-Deoxyadenosine Deoxyadenosine; 2'-Deoxyadenosine C10 H13 N5 O3 251.10181 5.658 cpd:C00559 map00230 Purine metabolism;map01100 Metabolic pathways HMDB0000101 -- "Nucleosides, nucleotides, and analogues" Purine nucleosides Purine 2'-deoxyribonucleosides -- -- -- Full match Full match Full match 252.10909 1861266.27844 1452705.65672 1505402.70892 3231707.18853 1082392.42013 2465986.03785 872436.465863 971562.048507 724426.001966 572124.052077 653937.24549 737597.000618 2.55941048857819 1.35581155118 0.00148586449113442 1 2.42427969523228 up Com_4556_pos N-[4-(4-methylpiperazino)phenyl]-2-phenylacetamide -- C19 H23 N3 O 309.17995 1.067 -- -- -- -- -- -- -- -- -- -- Invalid mass No results No results 310.18723 544630.55091 321519.184556 323883.613934 299207.146426 432927.776827 583918.087622 228985.391111 177912.481473 220302.814114 170004.292596 181628.520055 311149.522058 1.94272817446976 0.958084053894 0.00169775717623143 0.972222222222222 1.16055722607017 up Com_1543_pos Sphingosine (d18:1) -- C18 H37 N O2 281.27145 13.095 -- -- -- -- -- -- -- -- -- -- Invalid mass No results No results 282.27878 14655160.3876 8030159.95758 18211884.5267 24262737.7934 11375536.3655 10385605.741 4279944.62157 8041601.74141 7684574.12296 2529665.27204 6093988.7768 6037814.9661 2.50727223966851 1.32611865253 0.00345294680982121 0.972222222222222 2.1484591442988 up Com_886_pos L-Ascorbate Ascorbate; Ascorbic acid; L-Ascorbate; L-Ascorbic acid; Vitamin C C6 H8 O6 176.03197 1.472 cpd:C00072 map00053 Ascorbate and aldarate metabolism;map00480 Glutathione metabolism;map01100 Metabolic pathways;map04066 HIF-1 signaling pathway;map04977 Vitamin digestion and absorption HMDB0000044 -- Organoheterocyclic compounds Dihydrofurans Furanones -- -- -- No results No results Full match 177.03925 54640419.0592 40261429.7093 42064506.4643 104748448.661 42760507.8832 46801026.2237 22392162.588 16494565.3678 28669881.3251 39057190.1056 30268196.8247 25796269.8632 2.03638965422211 1.02601364119 0.00521193983556776 1 1.6826980064044 up Com_14_pos 3-methyl-5-oxo-5-(4-toluidino)pentanoic acid -- C13 H17 N O3 257.10249 1.324 -- -- -- -- -- -- -- -- -- -- Invalid mass No match No match 258.10956 1028066820.2 1407334090.96 2772331435.6 932420530.245 852132986.453 3789398149.03 4721373259.33 5601602975.44 4222210064.04 2290801288.06 4655041552.73 5859960208.08 0.394197221732403 -1.34301048646 0.00669233657051879 0.944444444444444 2.09812135045553 down Com_8180_pos ACar 21:2 -- C28 H52 N O4 465.38131 13.807 -- -- -- -- -- -- -- -- -- -- No results Invalid mass No results 466.38898 184951.152996 128039.452972 205020.176128 177573.549357 147325.819639 587891.233855 381996.924359 703370.492229 594752.759442 301245.786602 1556403.45996 567119.789771 0.348560292598823 -1.52051986545 0.00808221699442972 0.916666666666667 2.05570237607358 down Com_7685_pos PC (10:0/11:0) -- C29 H58 N O8 P 579.38959 15.449 -- -- -- -- -- -- -- -- -- -- No results Full match No results 580.39679 114174.091341 87513.2660758 238884.964851 106808.710345 59750.1256936 275899.339577 376756.828314 330709.550983 432553.699151 357920.423271 308223.494556 233035.768946 0.43302795191706 -1.20746794109 0.00861893307273066 0.944444444444444 1.64311445864066 down Com_725_pos Thiazolidine-4-carboxylic acid -- C4 H7 N O2 S 133.01971 1.465 -- -- -- -- -- -- -- -- -- -- No results Full match No results 134.02698 31473663.9189 14089351.5273 11996088.1221 10803805.2281 26173052.1472 46203796.5559 4387289.27994 4098693.99643 10585372.347 4375703.33565 3847948.92098 18768775.7344 3.05532343321236 1.61132511025 0.00865983101545411 0.916666666666667 1.81547934656516 up Com_5214_pos PC (18:4/18:5) -- C44 H70 N O8 P 771.48299 16.15 -- -- -- -- -- -- -- -- -- -- No results Full match No results 772.48999 1663433.84867 1269036.88609 2621724.54249 1951201.42184 1429987.32142 1741358.19592 3110525.65758 3711427.84686 3579157.23377 1817514.79965 3058013.08237 2319719.64569 0.606758628977698 -0.720805374173 0.00868013571770069 0.916666666666667 2.00661623881194 down Com_240_pos 2,4-Dimethylbenzaldehyde -- C9 H10 O 134.07292 12.27 -- -- HMDB0032142 -- Benzenoids Benzene and substituted derivatives Benzoyl derivatives -- -- -- Full match No results No results 135.08032 280478951.701 231684208.978 262022562.799 319035039.375 263007927.085 417267789.994 260949744.025 154825318.553 219875569.233 227543193.964 204379829.056 175272594.845 1.42696369755659 0.512948632626 0.0117269688659632 0.972222222222222 1.73968064222707 up Com_26_pos L-Glutamic acid L-Glutamate; L-Glutamic acid; L-Glutaminic acid; Glutamate C5 H9 N O4 147.05299 1.339 cpd:C00025 map00220 Arginine biosynthesis;map00250 Alanine, aspartate and glutamate metabolism;map00330 Arginine and proline metabolism;map00340 Histidine metabolism;map00430 Taurine and hypotaurine metabolism;map00471 D-Glutamine and D-glutamate metabolism;map00480 Glutathione metabolism;map00524 Neomycin, kanamycin and gentamicin biosynthesis;map00630 Glyoxylate and dicarboxylate metabolism;map00650 Butanoate metabolism;map00660 C5-Branched dibasic acid metabolism;map00860 Porphyrin and chlorophyll metabolism;map00910 Nitrogen metabolism;map00970 Aminoacyl-tRNA biosynthesis;map01100 Metabolic pathways HMDB0000148 -- Organic acids and derivatives Carboxylic acids and derivatives "Amino acids, peptides, and analogues" -- -- -- Full match Full match Full match 148.06026 4339827425.06 1739159096.54 4683038592.29 7074980010.23 4295452181.53 3662868120.52 1899781564.85 2266557426.85 2556207799.32 1897603592.86 1371914510.73 2172429165.43 2.12054239977862 1.08443332959 0.0124388222341669 0.861111111111111 1.99401894209247 up Com_791_pos S-Adenosylhomocysteine S-Adenosyl-L-homocysteine; S-Adenosylhomocysteine C14 H20 N6 O5 S 384.12143 1.469 cpd:C00021 map00270 Cysteine and methionine metabolism;map01100 Metabolic pathways;map01230 Biosynthesis of amino acids HMDB0000939 -- "Nucleosides, nucleotides, and analogues" 5'-deoxyribonucleosides 5'-deoxy-5'-thionucleosides -- -- -- Full match Full match Full match 385.12875 37664467.1844 26173789.2547 38300075.2786 42834005.4502 27900921.2438 46670389.508 32540836.1869 28403360.345 26163540.5261 22255041.7505 19989325.7701 19484009.2825 1.47506974096749 0.560783166386 0.0126439727390435 0.888888888888889 1.2105068654918 up Com_1181_pos 1-Methylhistidine N(pi)-Methyl-L-histidine; N-pros-Methyl-L-histidine; 3-Methylhistidine; 1-Methylhistidine C7 H11 N3 O2 169.08507 1.222 cpd:C01152 map00340 Histidine metabolism HMDB0000001 -- Organic acids and derivatives Carboxylic acids and derivatives "Amino acids, peptides, and analogues" -- -- -- Full match Full match Full match 170.09245 29705173.4629 16639663.6759 33345464.6117 41663299.1643 34605851.5443 53307980.5066 18816125.4282 13023214.4508 20940081.8578 29657237.27 14437336.5726 13763404.3884 1.89147099467816 0.919508653123 0.0132435059660609 0.916666666666667 2.13200538630879 up Com_3543_pos ACar 13:0 -- C20 H40 N O4 357.28735 12.695 -- -- -- -- -- -- -- -- -- -- No results Invalid mass No results 358.29462 7105213.25899 1216075.45506 3075460.60478 6505471.97004 9747971.8114 5573497.15072 758610.653553 1786137.3584 1573695.99954 1849012.06206 2706718.39684 1397370.66684 3.29876794456959 1.72192729352 0.0162560426843236 0.861111111111111 2.03416902923775 up Com_5702_pos 17alpha-Hydroxyprogesterone 17alpha-Hydroxyprogesterone; 17alpha-Hydroxy-4-pregnene-3,20-dione; Pregn-4-ene-3,20-dione-17-ol; 17alpha-Hydroxy-progesterone C21 H30 O3 330.21897 11.953 cpd:C01176 map00140 Steroid hormone biosynthesis;map01100 Metabolic pathways;map04913 Ovarian steroidogenesis;map04927 Cortisol synthesis and secretion;map04934 Cushing's syndrome HMDB0000374 LMST02030161 Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids Sterol Lipids [ST] Steroids [ST02] C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203] Full match No results Full match 331.22653 3181960.90986 978276.868038 1779264.14568 2639681.2426 1168230.80088 3340908.06038 871518.073535 955602.970659 1687897.73282 590964.720001 1072767.16278 627440.180143 2.25420114292657 1.17261625329 0.016967522122911 0.916666666666667 1.88992542922628 up Com_2948_pos N-[1-(4-methoxy-2-oxo-2H-pyran-6-yl)-2-methylbutyl]acetamide -- C13 H19 N O4 270.15938 14.302 -- -- -- -- -- -- -- -- -- -- Invalid mass No results No results 271.16678 1818352.99784 1245311.71311 4840083.90263 2562044.37099 2245430.13673 2970111.56413 1822444.48774 665657.296244 1225852.79595 1423928.50344 1015466.06738 1446222.98013 2.06344968050272 1.04505825706 0.0170146969456043 0.888888888888889 1.47624763380266 up Com_7233_pos ACar 26:5 -- C33 H56 N O4 529.41245 13.92 -- -- -- -- -- -- -- -- -- -- No results Invalid mass No results 530.4198 97674.924537 76774.686888 116836.415488 107181.464961 87599.8480604 462259.053365 156647.090516 293209.116126 314569.280007 494382.003258 2129487.78883 621331.928552 0.236512359945947 -2.08001251527 0.0175798634121025 0.916666666666667 2.0997403855836 down Com_6699_pos ACar 19:2 -- C26 H48 N O4 437.34991 13.528 -- -- -- -- -- -- -- -- -- -- No results Invalid mass No results 438.35696 291085.597398 345118.94758 190094.718333 239038.019978 505505.783288 972529.028966 534631.740207 1443460.9806 1051633.26512 432024.200595 2530709.89498 967037.860929 0.36545338709513 -1.45224069006 0.0196784116308883 0.888888888888889 1.62453684305806 down Com_3752_pos PC (18:4e/22:6) -- C48 H78 N O7 P 811.55058 15.507 -- -- -- -- -- -- -- -- -- -- No results Full match No results 812.55786 167331.667734 108091.774946 10051378.2382 4297415.76056 3807129.99389 7038107.25957 288375.135354 66918.7185564 62866.6537955 65126.2501283 170542.387459 265341.098456 27.7091810446482 4.79229216694 0.0221523005103387 0.833333333333333 2.35146597905899 up Com_4208_pos Pyridoxal 5'-phosphate Pyridoxal phosphate; Pyridoxal 5-phosphate; Pyridoxal 5'-phosphate; PLP C8 H10 N O6 P 247.02449 2.607 cpd:C00018 map00730 Thiamine metabolism;map00750 Vitamin B6 metabolism;map01100 Metabolic pathways;map04977 Vitamin digestion and absorption HMDB0001491 -- Organoheterocyclic compounds Pyridines and derivatives Pyridine carboxaldehydes -- -- -- Full match Full match Full match 248.0318 6151195.00463 4599817.29872 5372008.18637 8124849.43417 6815212.28811 9427214.68273 3424098.58885 4148926.52596 5708619.56551 3644190.30264 4773206.94554 5901436.83338 1.46701429508 0.552882929185 0.0251864603245459 0.861111111111111 1.65833544235424 up Com_7574_pos UDP UDP; Uridine 5'-diphosphate C9 H14 N2 O12 P2 404.00191 1.462 cpd:C00015 map00240 Pyrimidine metabolism;map01100 Metabolic pathways;map04080 Neuroactive ligand-receptor interaction HMDB0000295 -- "Nucleosides, nucleotides, and analogues" Pyrimidine nucleotides Pyrimidine ribonucleotides -- -- -- No results No results Full match 405.00879 2643030.5964 1809602.24285 2037950.73863 2216646.33474 1719416.13637 3414915.40515 1723730.12741 981156.851278 1869219.88229 1639304.4671 1700471.27684 1561376.59953 1.46081085018152 0.546769386101 0.0256099952431219 0.916666666666667 1.76784300500487 up Com_11_pos Taurine Taurine; 2-Aminoethanesulfonic acid; Aminoethylsulfonic acid C2 H7 N O3 S 125.0146 1.304 cpd:C00245 map00120 Primary bile acid biosynthesis;map00430 Taurine and hypotaurine metabolism;map00920 Sulfur metabolism;map01100 Metabolic pathways;map02010 ABC transporters;map04080 Neuroactive ligand-receptor interaction HMDB0000251 -- Organic acids and derivatives Organic sulfonic acids and derivatives Organosulfonic acids and derivatives -- -- -- Full match Full match Full match 126.0218 3925916165.74 3737755978.77 4182217166.96 3136174594.09 4841141540.57 5357446418.34 5151848303.35 5694821030.66 6447241421.98 4089654950.04 6641268213.33 5088754501.38 0.760432591736226 -0.395107728434 0.0271008450932477 0.861111111111111 1.54007294133668 down Com_2549_pos N-Acetylmethionine N-Acetylmethionine; N-Acetyl-L-methionine C7 H13 N O3 S 191.06165 7.36 cpd:C02712 -- HMDB0011745 -- Organic acids and derivatives Carboxylic acids and derivatives "Amino acids, peptides, and analogues" -- -- -- No results Full match Full match 192.06877 855272.598532 1983880.68272 2311948.90832 4742030.1275 3818308.37728 12741858.6629 6517156.83869 11330823.4339 14487508.915 11364806.5047 7884316.27365 8098940.56336 0.443225951475752 -1.17388573929 0.0280744396552773 0.861111111111111 1.89608698032057 down Com_1174_pos Bicyclo prostaglandin E2 -- C20 H30 O4 334.21363 13.799 -- -- -- -- -- -- -- -- -- -- Full match No results Full match 335.22104 15672601.8852 12833294.075 18620498.6899 15088714.1131 13971592.6586 15847851.5298 13832486.3002 10939762.1478 16472168.6582 10004553.4298 10334711.8452 9343859.99472 1.29758553403432 0.375829641057 0.0286711664677233 0.833333333333333 1.28900443729568 up Com_286_pos Cuminaldehyde 4-Isopropylbenzaldehyde; p-Cumic aldehyde; Cuminaldehyde C10 H12 O 148.08863 12.865 cpd:C06577 -- HMDB0002214 -- Lipids and lipid-like molecules Prenol lipids Monoterpenoids -- -- -- Full match No results No results 149.09595 233993114.726 199016044.252 239666554.246 247197332.312 227767433.559 341138231.082 241685531.792 123381952.608 179541161.253 217119105.741 185105527.102 151170877.438 1.3558953325733 0.439245814901 0.0307833878560748 0.861111111111111 1.66746680223774 up Com_8383_pos 2-Methoxybenzaldehyde -- C8 H8 O2 154.06041 1.197 -- -- HMDB0033766 -- Benzenoids Benzene and substituted derivatives Benzoyl derivatives -- -- -- Invalid mass No results No results 155.06766 591559.91951 494296.581436 874168.855684 653785.259619 563757.073689 767030.029313 828218.470176 1292171.5903 857096.453529 734079.73924 1093514.58768 688839.723695 0.71799322047967 -0.47795787316 0.0323406599235902 0.833333333333333 1.5898027680915 down Com_757_pos PC (19:2/20:5) -- C47 H80 N O8 P 817.56128 16.352 -- -- -- -- -- -- -- -- -- -- No results Full match No results 818.56866 51801866.8115 38761580.4227 43908949.0001 66153708.7618 35808777.1813 79470615.7787 56445669.6414 25354241.7193 37495911.9365 32487120.8806 25334938.5569 18641658.6921 1.61374253154463 0.690410418706 0.0335041323211574 0.861111111111111 1.47665803935159 up Com_194_pos 2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic acid -- C22 H30 O3 324.20607 14.94 -- -- -- -- -- -- -- -- -- -- Invalid mass No results No results 325.21323 240806063.365 195561465.614 392843900.077 302381052.992 248801181.798 431341918.441 245186444.99 180654248.944 206961219.062 246660487.063 133173374.998 203655954.902 1.48955677134142 0.57488310994 0.0364662115194924 0.833333333333333 1.37059920396467 up Com_9056_pos ACar 19:4 -- C26 H44 N O4 433.31849 12.997 -- -- -- -- -- -- -- -- -- -- No results Invalid mass No match 434.32584 208093.685959 150753.036127 190488.691614 255905.1317 142764.967184 195619.778342 306763.257806 428966.463019 425200.455903 153164.069805 1190709.5408 397073.057205 0.394098492869732 -1.34337186262 0.0367402370748008 0.888888888888889 2.10395664626171 down Com_1027_pos (S)-beta-Aminoisobutyric Acid -- C4 H9 N O2 103.06329 1.415 -- -- HMDB0002166 -- Organic acids and derivatives Carboxylic acids and derivatives "Amino acids, peptides, and analogues" -- -- -- No results No results Full match 104.07053 29051476.5201 23473991.6805 63042145.6426 42677008.4339 21524351.8365 54318993.4413 13593511.1456 23696698.2613 34426552.0621 11183152.5219 24022369.4046 20792194.8401 1.83290078610405 0.874128695714 0.0388941958301759 0.805555555555556 1.79115997552768 up Com_7124_pos PC (14:0/16:3) -- C38 H70 N O8 P 699.48328 16.735 -- -- -- -- -- -- -- -- -- -- No results Full match No results 700.49005 834284.019753 641584.258591 1601970.79088 741249.150209 781604.789768 759591.678679 1136867.62621 1334553.00342 1449839.01527 1040419.8587 1619049.15165 955065.796556 0.711309832315739 -0.491449989078 0.0418466253327787 0.861111111111111 1.04290809561536 down Com_5298_pos PC (18:2/20:5) -- C46 H78 N O8 P 803.54399 16.329 -- -- -- -- -- -- -- -- -- -- No results Full match No results 804.55145 3841590.60467 3545504.60882 4031448.51389 5313530.38799 3557232.99105 4720204.54845 3657667.20466 1500698.25535 2944738.67086 3805615.24626 3091186.92558 1453643.16994 1.52000707789175 0.604078041574 0.0425330250944138 0.888888888888889 1.73154374325625 up Com_78_pos PC (18:0/20:5) -- C46 H82 N O8 P 807.57626 15.051 -- -- -- LMGP01010807 -- -- -- Glycerophospholipids [GP] Glycerophosphocholines [GP01] Diacylglycerophosphocholines [GP0101] No results Full match No results 808.58301 1142513112.23 1031796426.64 1459536222.65 1709359856.12 1161757778.18 1523237368.0 1625051887.34 701479657.798 717600305.415 802317442.706 946950792.107 985730584.268 1.3891710055984 0.474224204606 0.0434817319079519 0.861111111111111 1.53539221398568 up Com_1223_pos 1,4-Dihydro-1-Methyl-4-Oxo-3-Pyridinecarboxamide -- C7 H8 N2 O2 152.05851 1.347 -- -- HMDB0004194 -- Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives -- -- -- No results No results Full match 170.09236 28959912.678 16171418.7013 32452240.4159 40826123.3043 33634360.0814 50659753.046 18429095.9861 3007445.37311 19730388.6996 28388486.7603 13948775.2909 13441246.8731 2.09090608442358 1.06412826299 0.0435076375321908 0.916666666666667 1.8178111072363 up Com_54_pos N-Tetradecanamide -- C14 H29 N O 227.2247 14.529 -- -- -- -- -- -- -- -- -- -- No results No results Full match 228.23215 755407770.285 839599850.704 501153305.498 646344963.545 670946470.766 504272753.311 1036246994.29 944776711.916 615758140.138 831621981.277 803216829.645 816655334.095 0.776052086061323 -0.365774610283 0.0440690161062165 0.805555555555556 1.38435054098508 down Com_3111_pos N-Stearoyl taurine -- C20 H41 N O4 S 408.30268 15.983 -- -- -- LMFA08020078 -- -- -- Fatty Acyls [FA] Fatty amides [FA08] N-acyl amines [FA0802] Invalid mass No results No results 409.30981 2228158.99436 2345170.41578 581578.775167 1478571.50476 1513974.8152 768100.818692 1741823.38613 2144024.53056 2158925.3859 4233695.76658 2381268.66354 2587870.6088 0.584718280026078 -0.774186399943 0.0479426211001945 0.833333333333333 1.30744301516333 down Com_860_pos Asparagine Asparagine C4 H8 N2 O3 132.05342 1.277 cpd:C16438 -- HMDB0000168 -- Organic acids and derivatives Carboxylic acids and derivatives "Amino acids, peptides, and analogues" -- -- -- Full match Full match Full match 133.06067 44057146.3734 10870050.7255 40716536.0341 107833687.626 46742058.3297 47751152.156 24994205.8571 18236072.6026 27781035.712 15182961.1815 16260345.5053 13454123.3702 2.57073470364559 1.36218073367 0.0487160879692006 0.833333333333333 1.60521506236257 up Com_1005_pos Methyl palmitate Methyl palmitate C17 H34 O2 287.28185 12.313 cpd:C16995 -- HMDB0061859 -- Lipids and lipid-like molecules Fatty Acyls Fatty acid esters -- -- -- Invalid mass No results No results 288.28918 33799289.0645 37445431.7976 32290562.0586 48675843.9888 26495409.2768 32025947.0932 40001316.3345 22332021.2241 19739311.8469 23848021.8517 27355027.2862 25867532.2895 1.32416868864984 0.405086921825 0.0496968146013074 0.833333333333333 1.4276196229083 up