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_HI1	pos_HI2	pos_HI3	pos_HI4	pos_HI5	pos_HI6	pos_NC1	pos_NC2	pos_NC3	pos_NC4	pos_NC5	pos_NC6	FC	log2FC	Pvalue	ROC	VIP	Up.Down
Com_8560_pos	Radicinin	--	C12 H12 O5	258.05038	9.581	--	--	--	--	--	--	--	--	--	--	Invalid mass	No results	No results	259.05771	535795.309377	621828.841577	769361.518742	493845.868876	1089981.44687	820432.517868	130415.266122	76339.8427721	122529.000924	82175.4060673	65408.3686994	129968.048696	7.137424245617	2.83540352824	5.09949901714753e-07	1	2.29571213490927	up
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	58295726.3402	53234766.4345	100790470.74	42331447.7622	65084844.2597	52426294.1863	30057999.9237	17046435.5786	15196184.804	17946381.441	17511389.3218	16683758.3206	3.25197972694137	1.70131826358	2.46851267379104e-05	1	1.62806261597255	up
Com_3014_pos	TAG (16:0-16:1-18:1)	--	C53 H98 O6	847.75304	16.826	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	848.76031	2751614.65286	1866488.59565	18710407.4708	3630215.01113	13546722.4032	9636501.53949	347256.279785	640267.14633	196776.994721	299109.88279	266594.371473	166838.541343	26.1586076748636	4.70921384849	0.00015539461320554	1	2.81316508487071	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	63564478.2314	62442637.8422	117636318.532	63085512.6827	79818155.3133	66326530.6578	51994172.9123	30008372.6191	33927364.4885	34841539.9549	30443152.0709	31831931.4591	2.12570289602575	1.08793996922	0.000239387868101543	1	1.20265761001433	up
Com_10171_pos	4-fluoro-N-[4-(4-methylpiperazino)phenyl]benzenesulfonamide	--	C17 H20 F N3 O2 S	349.1256	13.614	--	--	--	--	--	--	--	--	--	--	Full match	No results	No results	350.13284	431459.2787	553792.630319	707542.906589	298014.725809	248792.545936	601165.049131	163615.04497	121098.444664	82378.8534574	182201.890051	209759.481447	132894.066165	3.18490297053187	1.67124942081	0.000440427646891735	1	2.02753840452237	up
Com_5275_pos	2,6-Dihydroxypurine	--	C5 H4 N4 O2	152.03328	5.495	--	--	HMDB0000292	--	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	--	--	--	No results	No results	Full match	153.04056	273820.945476	382438.835574	353440.909564	262665.185435	360344.469074	220343.496028	834809.446051	1044954.71967	4382426.0293	2916192.83243	1643611.01213	1610073.78313	0.149054354237501	-2.74608957434	0.000524554152550112	1	2.77409255457891	down
Com_2275_pos	TAG (14:0-16:0-16:1)	--	C49 H92 O6	793.71532	16.782	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	794.72266	3002397.40339	3893412.68123	4292743.3862	1132527.14992	1923604.94257	1176969.62203	851429.060088	348857.453265	435630.990813	704500.594643	530760.470779	351221.14912	4.78576729504036	2.25875024843	0.000641185785449638	1	1.99953396073741	up
Com_573_pos	5-Methyluridine	--	C10 H14 N2 O6	258.08636	2.02	--	--	HMDB0000884	--	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleosides	_	--	--	--	No results	No results	Full match	259.09363	20081036.937	18337389.2765	13850525.046	16039650.6017	24192071.3645	19671862.9359	67960791.6166	48137184.0588	44006097.2949	63621668.4824	26059107.1821	36421697.8692	0.391928617747506	-1.35133717575	0.000704666896596078	1	2.21695727562036	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	55826395.9344	24600824.0451	83767533.1049	43271335.1956	69894055.9884	57644324.7618	24994205.8571	18236072.6026	27781035.712	15182961.1815	16260345.5053	13454123.3702	2.89024327939574	1.53119093328	0.000968647440995436	0.944444444444444	2.0981991829038	up
Com_2047_pos	3-(2-Hydroxyethyl)indole	--	C10 H11 N O	161.08408	9.856	--	--	HMDB0003447	--	Organoheterocyclic compounds	Indoles and derivatives	Indoles	--	--	--	Full match	No results	No results	162.09137	11125800.9404	7269166.98924	31997932.9066	6584092.86564	10004028.6763	10772466.0085	4147474.93309	2193444.126	5147888.69511	2192619.39023	2831410.52096	2155000.61079	4.16510402738451	2.0583525287	0.00104218168194153	1	2.40522796937392	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	1224560.12947	1375823.41309	2010137.71518	776992.067481	3171243.80482	1211099.73525	725917.051941	415335.518654	514194.648096	496502.546482	387393.380424	421670.388038	3.29949753836394	1.72224634141	0.00132307281066307	1	1.33525586152678	up
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	235984448.229	333102705.647	394363143.412	402936687.668	301778423.63	385153729.816	260949744.025	154825318.553	219875569.233	227543193.964	204379829.056	175272594.845	1.65211033861774	0.724310042484	0.00141268841346616	0.972222222222222	2.46265732616159	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	4176259357.95	2487224181.99	6161272257.2	3580028047.19	4049932994.19	3103331769.84	1899781564.85	2266557426.85	2556207799.32	1897603592.86	1371914510.73	2172429165.43	1.93662379151037	0.953543723256	0.00239984297987557	0.972222222222222	1.85996889227247	up
Com_6699_pos	ACar 19:2	--	C26 H48 N O4	437.34991	13.528	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	438.35696	336884.67329	225888.2981	569346.360469	219551.632093	238920.812894	156775.245173	534631.740207	1443460.9806	1051633.26512	432024.200595	2530709.89498	967037.860929	0.251076591511806	-1.99380056602	0.0029834640492821	0.944444444444444	2.11957492700725	down
Com_1543_pos	Sphingosine (d18:1)	--	C18 H37 N O2	281.27145	13.095	--	--	--	--	--	--	--	--	--	--	Invalid mass	No results	No results	282.27878	12175468.4734	12434354.5073	25061239.4168	6408644.30714	14827902.0023	19722182.4976	4279944.62157	8041601.74141	7684574.12296	2529665.27204	6093988.7768	6037814.9661	2.61425130819203	1.38639783419	0.00474678188053089	0.944444444444444	2.1906063904236	up
Com_8339_pos	Decanoylcarnitine	--	C17 H33 N O4	315.24042	11.487	--	--	HMDB0000651	LMFA07070059	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	Fatty Acyls [FA]	Fatty esters [FA07]	Fatty acyl carnitines [FA0707]	Full match	Invalid mass	No results	316.24771	397484.369228	306340.385088	429721.756445	325736.092879	349063.446557	305449.096819	505998.057024	514696.835345	838309.13605	669509.300954	1490381.29151	671275.271122	0.450686264183998	-1.14980461398	0.00508983379714184	1	1.91642004757926	down
Com_345_pos	11-Deoxy prostaglandin F1¦Â	--	C20 H36 O4	322.25033	15.302	--	--	--	--	--	--	--	--	--	--	Invalid mass	No results	No results	323.25754	63332344.8408	103650003.742	98736852.3861	64563705.9902	103615232.506	121140183.395	160620110.572	180769019.794	136524619.954	139870407.681	121176313.627	138600267.036	0.632478526449453	-0.660911595809	0.00566984671275058	1	1.8192600619425	down
Com_473_pos	Riboflavin	Riboflavin; Lactoflavin; 7,8-Dimethyl-10-ribitylisoalloxazine; Vitamin B2	C17 H20 N4 O6	376.13808	8.415	cpd:C00255	map00740  Riboflavin metabolism;map01100  Metabolic pathways;map04977  Vitamin digestion and absorption	HMDB0001520	--	"Nucleosides, nucleotides, and analogues"	Flavin nucleotides	_	--	--	--	Full match	Full match	Full match	377.14545	3318053.88437	2733088.92042	8351388.18388	4011416.5987	11193193.7984	5076992.86517	8799345.87598	12136878.7647	61065602.0648	13280378.2021	16568974.5671	19162187.0325	0.26473737127455	-1.91736622968	0.00632607817920234	0.972222222222222	1.73590003608221	down
Com_8180_pos	ACar 21:2	--	C28 H52 N O4	465.38131	13.807	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	466.38898	319001.181508	106435.97088	405806.674987	155382.594649	242130.429841	107697.811477	381996.924359	703370.492229	594752.759442	301245.786602	1556403.45996	567119.789771	0.3255763052793	-1.6189323876	0.00700335308405809	0.916666666666667	2.05832093165969	down
Com_2849_pos	PC (18:5e/3:0)	--	C29 H50 N O7 P	555.33202	14.455	--	--	--	--	--	--	--	--	--	--	No results	Full match	No results	556.33875	697984.014408	905177.36284	1554930.03714	1516794.60491	1672286.56369	1765724.60091	3240250.71353	2726331.26399	3137973.27358	2001093.43115	1916203.69602	1852042.77702	0.545445365803361	-0.874493397755	0.00856352442817808	1	1.40398763272675	down
Com_1200_pos	N-acetyl-D-glucosamine	N-Acetyl-D-glucosamine; N-Acetylchitosamine; 2-Acetamido-2-deoxy-D-glucose; GlcNAc	C8 H15 N O6	221.08984	1.446	cpd:C00140	map00520  Amino sugar and nucleotide sugar metabolism;map01100  Metabolic pathways;map02010  ABC transporters	HMDB0000215	--	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	--	--	--	No results	No results	Full match	222.0968	12478635.0556	7404077.46723	11174918.6575	8940263.20484	13546143.647	10247924.164	15079332.679	17663818.8628	24676668.7165	14641830.7237	13711700.9855	12801874.8375	0.647139897759122	-0.627850469244	0.00897528276828923	0.972222222222222	1.46157623935706	down
Com_9214_pos	N-Acetyl-D-tryptophan	N-Acetyl-D-tryptophan	C13 H14 N2 O3	246.10094	7.496	cpd:C03137	--	HMDB0013713	--	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	--	--	--	No results	No results	Full match	247.10822	148149.532413	149240.482551	219946.127493	169309.993963	254449.980695	76947.6998457	218490.587006	386760.930849	1211183.59569	439575.766001	761538.145521	250070.765691	0.311555163131308	-1.68244046926	0.0100317451146997	0.916666666666667	2.22712478756958	down
Com_2191_pos	N-[2-chloro-6-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide	--	C12 H13 Cl F3 N O2	295.05651	1.425	--	--	--	--	--	--	--	--	--	--	Invalid mass	No results	No results	296.06378	901738.490591	544101.945285	1654614.78688	600467.264805	1802396.4602	1147097.49181	1442777.9446	2907846.68834	5278750.37419	2104269.33254	16580494.9288	4280803.53324	0.204032155541077	-2.29313155551	0.0101486539822765	0.944444444444444	2.08345253845745	down
Com_7834_pos	3-[(1-benzyl-4-piperidyl)amino]-2-(4-methoxybenzoyl)acrylonitrile	--	C23 H25 N3 O2	375.19388	6.643	--	--	--	--	--	--	--	--	--	--	Full match	No results	No results	376.20139	264284.763619	266580.737592	324597.304055	162402.737269	429438.995472	516735.681515	354959.103972	656811.319464	1102242.78616	576859.738713	588636.215337	643125.873468	0.500694099996364	-0.997998639578	0.0103845075867942	0.944444444444444	1.6261511175823	down
Com_7233_pos	ACar 26:5	--	C33 H56 N O4	529.41245	13.92	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	530.4198	304570.383158	74590.5319151	137938.421066	92818.4187177	118361.007284	76858.0863219	156647.090516	293209.116126	314569.280007	494382.003258	2129487.78883	621331.928552	0.200800924085676	-2.3161621863	0.0117476853220389	0.944444444444444	2.13052760157452	down
Com_4851_pos	(¡À)17(18)-EpETE	--	C20 H30 O3	318.21682	14.736	--	--	--	--	--	--	--	--	--	--	Invalid mass	No results	No results	319.22433	5948089.79229	5241702.86905	4064500.69392	3139763.26463	4837829.67817	6905553.54081	3057953.21429	3250369.29893	3704948.82291	4119175.7739	2461436.5297	2203535.15608	1.60327543724183	0.681022296863	0.0118251980395261	0.888888888888889	2.01441579216793	up
Com_107_pos	IRH	--	C18 H32 N8 O4	424.25818	14.849	--	--	--	--	--	--	--	--	--	--	Invalid mass	No results	No results	425.2655	808869566.083	504027275.611	592484849.557	581725065.261	510038063.661	1076877817.22	298726139.069	515193616.063	280968114.764	563472416.4	299530861.441	437953742.185	1.70045342022356	0.765919487473	0.0126809437050138	0.888888888888889	1.81309937387321	up
Com_3681_pos	LPC 18:3	--	C26 H48 N O7 P	517.31688	14.273	--	--	--	LMGP01050128	--	--	--	Glycerophospholipids [GP]	Glycerophosphocholines [GP01]	Monoacylglycerophosphocholines [GP0105]	No results	Full match	Full match	518.32422	1160127.87298	1161066.28564	1658682.28801	1916048.04622	1969723.08083	2729765.12222	3295613.08143	4186727.82128	4982177.75481	1793050.18908	2751465.31763	2605911.67476	0.540170377367994	-0.888513569435	0.0129922782236237	0.888888888888889	1.44834011036125	down
Com_993_pos	TAG (18:2-22:5-22:6)	--	C65 H100 O6	993.77812	16.393	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	994.7854	71582653.76	6695407.23307	9148192.47341	10073403.1386	1650354.4126	6138018.58663	1764736.4065	974386.606942	2466102.29448	1261965.58375	1698197.12266	902758.917258	11.6107546997862	3.53738984541	0.013091161787169	0.916666666666667	2.03030906857327	up
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	33118188.4942	61126476.127	62602309.0733	63410553.639	64446708.9731	53302112.6011	56445669.6414	25354241.7193	37495911.9365	32487120.8806	25334938.5569	18641658.6921	1.72664048170592	0.787967718504	0.0131130898688878	0.916666666666667	1.69567365002819	up
Com_7025_pos	Cholecalciferol	Vitamin D3; Cholecalciferol; Calciol	C27 H44 O	384.33874	14.756	cpd:C05443	map00100  Steroid biosynthesis;map01100  Metabolic pathways;map04977  Vitamin digestion and absorption;map05323  Rheumatoid arthritis	HMDB0000876	--	Lipids and lipid-like molecules	Steroids and steroid derivatives	Vitamin D and derivatives	--	--	--	Full match	No results	No results	385.34546	381849.939158	355130.414718	1887976.79922	322850.022451	317527.565904	337542.948947	1120674.38267	2015570.832	1887767.3023	1125226.76745	1967539.09254	588401.920544	0.413877434730564	-1.27272450225	0.0131549079617097	0.888888888888889	1.91758468649785	down
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	6227119.9028	4570899.15803	7476723.91591	6243482.13656	7380570.96922	8857183.41288	3424098.58885	4148926.52596	5708619.56551	3644190.30264	4773206.94554	5901436.83338	1.47664030928657	0.562318446817	0.0137323561472673	0.916666666666667	1.72674583510201	up
Com_55_pos	Trehalose	alpha,alpha-Trehalose; alpha,alpha'-Trehalose; Trehalose	C12 H22 O11	342.11575	1.394	cpd:C01083	map00500  Starch and sucrose metabolism;map01100  Metabolic pathways;map02010  ABC transporters	HMDB0000975	--	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	--	--	--	No results	No results	Full match	343.12335	284037075.269	383348409.556	511346532.012	438373287.243	446475868.421	359742132.155	882293612.254	994789683.789	858363602.617	671683980.39	325620881.343	971990912.347	0.515080945594986	-0.9571289235	0.0141102182521567	0.861111111111111	1.43878779466895	down
Com_30_pos	Hypoxanthine	Hypoxanthine; Purine-6-ol	C5 H4 N4 O	136.03845	2.041	cpd:C00262	map00230  Purine metabolism;map01100  Metabolic pathways	HMDB0000157	--	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	--	--	--	Full match	Full match	Full match	137.04568	1114804940.65	879383249.289	698510572.503	734879016.441	1110080525.99	1475586067.75	1817937067.69	1413664240.05	2585814459.93	1875573947.84	1343677583.48	1058475657.44	0.595657178761686	-0.747445846077	0.0144300016416136	0.861111111111111	1.50058208590409	down
Com_4319_pos	5-(2,5-dihydroxyhexyl)oxolan-2-one	--	C10 H18 O4	184.10743	1.19	--	--	--	--	--	--	--	--	--	--	Invalid mass	No results	No results	185.11469	3616458.99334	2311455.25023	4331956.64264	2966027.34688	3808997.08543	4440033.30045	5629309.66571	5213341.63032	4426574.68716	4852159.68282	5024588.78425	4937373.49034	0.713847696119879	-0.486311795831	0.0151272212741237	0.972222222222222	1.84884905605856	down
Com_9056_pos	ACar 19:4	--	C26 H44 N O4	433.31849	12.997	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No match	434.32584	154578.075719	148482.363634	168881.070658	159950.512361	145745.944127	147218.887368	306763.257806	428966.463019	425200.455903	153164.069805	1190709.5408	397073.057205	0.318709891361445	-1.64968430013	0.0166115445004915	0.916666666666667	2.57373922874819	down
Com_4486_pos	ACar 22:3	--	C29 H52 N O4	477.38096	13.744	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	478.38834	621185.716878	200964.786094	421741.79192	340986.4022	795140.928767	185425.218697	540777.330688	1678019.1091	1106053.38403	543986.248593	5537216.35847	1510553.54277	0.235003887723723	-2.08924347106	0.0177231510509026	0.888888888888889	1.98567877533907	down
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	177482044.03	255595799.014	315672756.112	316922142.694	228035192.142	328652752.747	241685531.792	123381952.608	179541161.253	217119105.741	185105527.102	151170877.438	1.47755423144001	0.56321108336	0.0190589130687964	0.861111111111111	2.05669585208784	up
Com_211_pos	L-(-)-Methionine	--	C5 H11 N O2 S	149.05099	2.004	--	--	HMDB0000696	--	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	--	--	--	Full match	Full match	Full match	150.05827	103158060.527	78500677.8956	41965863.4656	65543316.9496	142031600.403	122845740.368	157121469.541	168863427.197	217648569.188	120239213.502	161003684.225	135552219.82	0.576872938959522	-0.793674506553	0.0191236407663815	0.916666666666667	1.4507460902513	down
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	4089609.7098	2526202.79227	1957594.52948	1760903.63898	1277721.08701	4434349.06306	1822444.48774	665657.296244	1225852.79595	1423928.50344	1015466.06738	1446222.98013	2.11148477101611	1.07825784181	0.0196058538457782	0.888888888888889	1.48590470756696	up
Com_1267_pos	N8-Acetylspermidine	N8-Acetylspermidine	C9 H21 N3 O	187.16836	1.149	cpd:C01029	--	HMDB0002189	--	Organic acids and derivatives	Carboximidic acids and derivatives	Carboximidic acids	--	--	--	Full match	Full match	No results	188.17569	4690768.11811	2131358.8674	8199334.89558	3894811.10002	9091595.05197	4901084.19289	3988533.20873	21959510.0291	35679987.6502	21047328.0126	32173511.0532	8122618.17994	0.267614491175151	-1.90177185566	0.0200001772186743	0.833333333333333	1.94181439888211	down
Com_4263_pos	5-Methyltetrahydrofolic acid	--	C20 H25 N7 O6	459.18603	6.32	--	--	HMDB0001396	--	Organoheterocyclic compounds	Pteridines and derivatives	Pterins and derivatives	--	--	--	Full match	No results	No results	460.19287	1459376.35754	612552.324402	1249228.08898	424926.344166	2904079.90202	473369.736606	1159879.72528	1356574.47254	4423929.62925	4115057.49598	3738790.14953	4850704.9943	0.362614191485108	-1.46349270653	0.0205193901001597	0.861111111111111	1.60926757431794	down
Com_50_pos	Inosine	Inosine	C10 H12 N4 O5	268.08047	3.569	cpd:C00294	map00230  Purine metabolism;map01100  Metabolic pathways	HMDB0000195	--	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	_	--	--	--	Full match	Full match	Full match	269.08765	1094452933.97	557249812.962	1033677026.86	294326771.262	883602299.272	769257168.934	1871309980.75	1309717518.93	1977985877.18	1179512411.76	983535867.601	1217557390.14	0.54247923567903	-0.882360177895	0.0207558809161211	0.944444444444444	1.77276253175178	down
Com_1822_pos	1,2-di[3-(benzyloxy)benzylidene]hydrazine	--	C28 H24 N2 O2	420.18268	14.935	--	--	--	--	--	--	--	--	--	--	Full match	No results	No results	421.19	4021506.23212	4845485.05365	15471834.3474	8362844.89294	8918655.83717	14541214.9314	3284147.07971	3186055.09485	4600887.02239	4784210.58147	3688348.70175	4746373.87322	2.31212390328829	1.2092187118	0.0210426502692783	0.916666666666667	1.71312625594092	up
Com_2993_pos	(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol	--	C14 H20 O6	284.12542	12.271	--	--	--	--	--	--	--	--	--	--	Full match	No results	No results	285.13284	7406121.35238	12046728.253	11268107.0915	13603575.9528	11269294.3845	15053021.116	12661811.9624	4691984.37019	7457086.63551	7983613.82955	6422512.16593	6533280.36533	1.54418363657293	0.626844330209	0.021956077712858	0.833333333333333	2.13466517582848	up
Com_2018_pos	ACar 22:2	--	C29 H54 N O4	479.39703	13.898	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	480.40417	4372922.95716	1331367.88726	3916116.3002	2057011.94095	2703901.03251	1011217.1411	2342929.22412	7480064.56042	6034078.92358	4064319.78804	18457523.708	6364209.81491	0.344020157478928	-1.53943499437	0.0224410137982974	0.888888888888889	1.92446404359947	down
Com_6389_pos	ACar 24:4	--	C31 H54 N O4	503.39667	13.839	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	504.40399	355102.917649	155412.820558	272370.925466	102954.916243	249475.613038	64429.2436226	162763.579149	539947.976047	526868.36007	469179.583648	2811061.12196	771465.276994	0.227169378779688	-2.13815971453	0.023111023400761	0.916666666666667	1.96882256216101	down
Com_1293_pos	ACar 22:1	--	C29 H56 N O4	481.41272	14.06	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	482.42001	14575179.4367	4353563.95921	12042090.0742	6315764.76301	7886012.49053	2895410.14646	9528414.73129	18537876.3084	12895901.9418	16013144.1871	33937017.6821	13030902.4733	0.462444819487256	-1.11264686634	0.0236174525895346	0.888888888888889	1.98729976398196	down
Com_220_pos	Melezitose	Melezitose	C18 H32 O16	504.16868	1.424	cpd:C08243	--	HMDB0011730	--	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	--	--	--	Full match	Full match	Full match	505.17514	57766814.708	99222923.6546	130062711.722	150421815.083	121701067.237	115306031.79	236473312.434	290651607.705	191075863.83	171086341.492	91468771.1308	253766488.382	0.54635004792474	-0.872102508964	0.0237394974648268	0.861111111111111	1.36427096271113	down
Com_1462_pos	PC (20:3e/16:2)	--	C44 H80 N O7 P	765.5663	15.682	--	--	--	--	--	--	--	--	--	--	No results	Full match	No results	766.57312	13167198.8331	16596377.3005	19439358.1893	16449135.2545	13112535.949	13594745.2484	17520973.8958	10850066.8438	7901572.63968	10611658.9023	9292752.01735	10246900.5084	1.39045307910815	0.475555061707	0.024288331708066	0.861111111111111	1.54356510295543	up
Com_621_pos	SM (d28:3/15:0)	--	C48 H93 N2 O6 P	824.68425	14.754	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	825.69153	8018554.60444	125296872.362	72315998.6205	21078256.6495	20750334.2907	19598526.1288	9333127.84	7330950.49778	6600698.75115	8930333.74992	8040206.25581	8895966.56242	5.43561093416406	2.44244219572	0.0253922744638517	0.888888888888889	2.1471674353567	up
Com_1096_pos	ACar 20:0	--	C27 H54 N O4	455.39701	14.005	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	456.40421	21765535.127	9544551.87572	18246844.2093	10232138.6873	12957103.314	5216691.51232	12794626.3405	26372044.3055	21610527.7044	22921267.6569	42974958.762	22866662.4915	0.521350937756721	-0.939673271863	0.0265071269218966	0.888888888888889	1.75341295118549	down
Com_3211_pos	LPE 18:3	--	C23 H42 N O7 P	475.2697	14.382	--	--	--	LMGP02050043	--	--	--	Glycerophospholipids [GP]	Glycerophosphoethanolamines [GP02]	Monoacylglycerophosphoethanolamines [GP0205]	No results	Full match	No results	476.27682	553960.418905	365813.624777	611804.269556	959417.909013	406708.688888	1128459.16894	1379041.56861	1621475.64667	2367353.66174	1154319.74594	570799.017965	1006706.91177	0.497075915608145	-1.00846189158	0.0274698900328759	0.888888888888889	1.21526933724494	down
Com_6761_pos	6-benzyl-4-oxo-1,4-dihydropyridine-3-carboxamide	--	C13 H12 N2 O2	250.0701	6.108	--	--	--	--	--	--	--	--	--	--	Invalid mass	No results	No results	251.07726	908132.721937	502402.47218	1212505.30142	604888.291508	1149454.60588	678415.151757	607547.454319	1298982.91684	2651604.7117	1927023.52682	1737817.90078	2293190.7665	0.48076437085204	-1.05659811211	0.0280296092882273	0.888888888888889	1.62230012636443	down
Com_4658_pos	PC (19:2/18:4)	--	C45 H78 N O8 P	791.54351	15.183	--	--	--	--	--	--	--	--	--	--	No results	Full match	No results	792.54913	4185403.641	5492959.68988	8617695.86788	3610518.15195	3373098.71562	4419925.94437	1164359.62166	2959392.28129	2519127.91501	3641667.16401	3181602.28555	3511147.18774	1.74937170290728	0.806836862711	0.0300115820827874	0.916666666666667	1.88281531180771	up
Com_5576_pos	Pyridoxamine 5-phosphate	Pyridoxamine phosphate; Pyridoxamine 5-phosphate; Pyridoxamine 5'-phosphate	C8 H13 N2 O5 P	248.05378	7.006	cpd:C00647	map00750  Vitamin B6 metabolism;map01100  Metabolic pathways;map04977  Vitamin digestion and absorption	HMDB0001555	--	Organoheterocyclic compounds	Pyridines and derivatives	Pyridoxamines	--	--	--	Invalid mass	No results	No results	249.06105	2369003.61744	1307581.65263	4449313.04752	1840026.09605	2219984.7752	2486973.64918	1102289.7972	1556535.5542	2015568.82373	969389.920811	1303141.33563	1512429.17726	1.7345156358267	0.794532845887	0.0301864470189073	0.888888888888889	1.73858947561846	up
Com_134_pos	5-(tert-butyl)-2-methyl-N-(4-nitrophenyl)-3-furamide	--	C16 H18 N2 O4	324.10534	1.402	--	--	--	--	--	--	--	--	--	--	Invalid mass	No results	No results	325.1124	67714536.4721	101104387.583	145488559.248	122771963.891	126847812.733	109371592.724	185835896.081	280098238.108	240415540.606	170726241.172	83460096.8294	275854853.313	0.544567960753217	-0.876815989888	0.0309131117825348	0.861111111111111	1.18146757035762	down
Com_753_pos	TAG (18:1-18:2-22:6)	--	C61 H100 O6	945.77765	14.8	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	946.78503	6716544.3464	8523950.91632	23908523.6251	21287401.5661	104651946.643	13459143.9648	6505599.31425	5109993.92153	4600976.43633	6224834.17302	5604376.2821	6200878.7365	5.21357460802742	2.38227287364	0.0310191449258127	1	2.24211756218802	up
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	30544649.1568	22003822.3005	35864910.6862	36129510.6239	39476055.5087	36219397.3791	13593511.1456	23696698.2613	34426552.0621	11183152.5219	24022369.4046	20792194.8401	1.56785940342498	0.648796192696	0.0311583749522731	0.888888888888889	1.58250346294593	up
Com_8929_pos	SQH	--	C14 H22 N6 O6	392.14418	8.508	--	--	--	--	--	--	--	--	--	--	Invalid mass	No results	No results	393.15149	375408.897999	376224.758171	797934.473476	312416.679904	706695.592523	555012.598458	471941.869215	1027266.82802	871175.663991	914142.33138	892127.904315	745334.842462	0.634640329688024	-0.655988891325	0.0320398280321426	0.888888888888889	1.5630964713382	down
Com_5100_pos	SM (d30:1/13:0)	--	C48 H97 N2 O6 P	1657.43967	16.158	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	829.72711	1203236.03989	1551109.45602	7751330.24954	5814494.60499	1475464.83367	1979341.87581	1645137.47118	854397.757522	774667.560677	1255004.54393	724394.513721	950251.196792	3.18753150989167	1.6724396036	0.0333356980599615	0.888888888888889	2.18756045529105	up
Com_1713_pos	¦Á-Cyclodextrin	--	C36 H60 O30	972.31574	1.459	--	--	--	--	--	--	--	--	--	--	Full match	No results	No results	973.32257	1891291.48397	2802083.09498	2038972.22354	2167174.40279	3009079.05092	3076375.53954	4936741.63389	6223102.10706	6807666.37999	4691160.06119	1611604.42444	5768179.58224	0.498859751622047	-1.00329381856	0.033675713032386	0.833333333333333	1.16042996771192	down
Com_1478_pos	SM (d28:1/12:1)	--	C45 H89 N2 O6 P	784.64481	16.607	--	--	--	--	--	--	--	--	--	--	No results	Full match	No results	785.65265	16314700.8013	38993619.2876	22912060.6014	42757687.1227	28562679.0684	34564918.1976	31846024.3513	16925448.1914	22353554.1199	11529702.2879	12704903.2857	14756143.5519	1.67192814800017	0.741512848166	0.0338448755432585	0.861111111111111	1.83002904100252	up
Com_6278_pos	PC (22:5/22:5)	--	C52 H84 N O8 P	881.5922	16.446	--	--	--	--	--	--	--	--	--	--	No results	Full match	No results	882.59863	2875563.17291	3714660.51384	3948817.25898	3341326.92712	3438145.95496	3781291.24561	2711599.78253	2113317.37013	2047789.05067	2726533.21531	925616.67301	3003178.62063	1.55970956034484	0.641277404177	0.0345032467879618	0.972222222222222	1.90446130903389	up
Com_7365_pos	PharmaGSID_48506	--	C19 H22 Cl N3 O3 S	814.21074	9.343	--	--	--	--	--	--	--	--	--	--	Invalid mass	No results	No results	408.11258	1347215.86042	757008.382684	667606.405675	850001.561294	1674909.70693	1226017.46956	411909.464583	982969.627683	954679.763176	339678.275533	452835.672741	622687.176578	1.73258306524328	0.79292452116	0.0345066574139387	0.833333333333333	1.46538991992973	up
Com_9550_pos	ACar 23:2	--	C30 H56 N O4	493.41282	14.02	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	494.42041	377173.378952	131008.869772	450104.857723	213680.406758	134058.35717	77198.7286609	234690.78118	520594.762726	518150.849534	434573.80614	977338.009575	299620.843367	0.463396629813369	-1.10968054307	0.0347287867768081	0.861111111111111	1.77823224870205	down
Com_1897_pos	4-(4-hydroxy-3,5-dimethylphenyl)-2-methylphthalazin-1(2H)-one	--	C17 H16 N2 O2	280.1202	3.013	--	--	--	--	--	--	--	--	--	--	Full match	No results	No results	281.12747	3592542.277	4438898.46351	12667795.3602	3905280.98733	3509304.02011	3668459.51857	23825632.9803	17621587.5653	6929695.74832	13004007.1963	16036427.3031	3372169.92044	0.393396078426133	-1.34594551872	0.0357323315035866	0.805555555555556	1.69876325442495	down
Com_2774_pos	Glycohyocholic acid Sodium salt	--	C26 H42 N Na O6	487.29275	12.865	--	--	--	--	--	--	--	--	--	--	No results	No results	Full match	488.29947	4273545.90633	5215435.66335	6527618.14745	6471570.92408	5314395.03424	5922642.83601	14472632.9564	6137712.70175	8143475.38779	8523418.29435	7361777.81081	6058161.16351	0.665228512367542	-0.588078089567	0.036752733976954	0.888888888888889	2.07354221425548	down
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	582676.015875	378479.26409	923181.638163	460039.529039	519536.047858	839139.003044	828218.470176	1292171.5903	857096.453529	734079.73924	1093514.58768	688839.723695	0.674027127715694	-0.569121437852	0.037738055707871	0.805555555555556	1.90010732958872	down
Com_2660_pos	ACar 7:0	--	C14 H28 N O4	273.19371	9.708	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	274.20084	483959.542238	811335.11222	1609068.06438	951912.250968	2390969.96326	424972.011271	818698.67096	2852906.85847	2426544.05388	1738482.96433	12827157.2501	4177041.61895	0.268598777247612	-1.89647535774	0.0379776338805402	0.888888888888889	1.50214026878396	down
Com_8293_pos	ACar 21:0	--	C28 H56 N O4	469.41288	14.124	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	470.41971	1038570.8677	365626.228362	646569.728377	403107.658325	557433.398813	198657.347442	1030604.11488	949545.400702	924490.477958	1051778.49208	1213441.46449	483522.384294	0.567795531797763	-0.816556598905	0.0387869337240146	0.833333333333333	1.7963354005034	down
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	515945299.887	308845523.157	276727150.543	276588562.868	172840025.217	459306121.566	245186444.99	180654248.944	206961219.062	246660487.063	133173374.998	203655954.902	1.65277180936334	0.72488755208	0.0388095878884875	0.861111111111111	1.61199328150565	up
Com_8893_pos	S-Methyl-L-cysteine	--	C4 H9 N O2 S	135.03553	1.482	--	--	HMDB0002108	--	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	--	--	--	No results	No results	Full match	136.04269	1308591.67464	600890.514841	2210117.08767	1043443.51663	1030729.51522	823392.582814	518433.970242	715141.89007	990556.906776	606296.574185	659752.378118	496207.279337	1.76028101975349	0.815805766045	0.0398169452850741	0.861111111111111	1.81101279202867	up
Com_1779_pos	Linoleoyl Ethanolamide	--	C20 H37 N O2	323.28208	14.268	--	--	HMDB0012252	--	Organic nitrogen compounds	Organonitrogen compounds	Amines	--	--	--	Full match	No results	No results	324.28922	7701811.28134	14410345.1292	9967122.08024	14829457.611	8540148.83228	8072774.70462	28042999.3656	15041971.5541	13226569.387	13630227.8007	10292351.8042	22587157.6396	0.6177871074112	-0.694818331186	0.040454610064336	0.833333333333333	1.9256241378338	down
Com_320_pos	PC (18:5e/4:0)	--	C30 H52 N O7 P	569.3474	14.659	--	--	--	--	--	--	--	--	--	--	No results	Full match	No results	570.35461	30898864.0248	31501940.7402	71196703.3827	47616515.704	67895188.565	50402285.4715	80810964.8869	74649485.9497	98736068.2149	66683073.9373	63064374.7111	54042241.8102	0.683837735948837	-0.548274058246	0.0408480565365312	0.833333333333333	1.08668394330859	down
Com_3543_pos	ACar 13:0	--	C20 H40 N O4	357.28735	12.695	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	358.29462	1581051.09053	2307310.74674	2484869.64039	2609199.62551	3669718.8366	6045579.63787	758610.653553	1786137.3584	1573695.99954	1849012.06206	2706718.39684	1397370.66684	1.85649066978981	0.892578064623	0.0415516866989718	0.833333333333333	1.10073815919667	up
Com_2975_pos	Cholest-4-en-3-one	Cholest-4-en-3-one; Cholestenone; 4-Cholesten-3-one	C27 H44 O	384.33856	15.627	cpd:C00599	--	HMDB0000921	LMST01010015	Lipids and lipid-like molecules	Steroids and steroid derivatives	Cholestane steroids	Sterol Lipids [ST]	Sterols [ST01]	Cholesterol and derivatives [ST0101]	Full match	No results	No results	385.34543	2037217.62348	1941718.52356	4712740.10431	3276430.92778	3295431.19065	1569392.1923	6806666.28447	6434087.4921	11482279.0837	3035477.98238	3461051.00216	3053238.23149	0.491145471762027	-1.02577769702	0.0425053726948758	0.805555555555556	1.83251588230055	down
Com_5479_pos	PC (18:3/18:4)	--	C44 H74 N O8 P	775.51447	16.857	--	--	--	--	--	--	--	--	--	--	No results	Full match	No results	776.52179	922635.880965	1346108.87916	977821.059323	930884.607234	810864.143748	2424402.24313	1885901.03413	3379065.98403	1715819.76505	1179969.64996	1529671.92022	2651077.94752	0.600633069645107	-0.735444185927	0.043003082145775	0.861111111111111	1.59823971045106	down
Com_6664_pos	ACar 24:2	--	C31 H58 N O4	507.42867	14.129	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	508.4361	1381327.89633	399881.402273	954175.85385	554540.252718	644737.805625	287451.276147	908076.38285	1211862.48657	1130464.56839	1702211.73688	2032493.90689	691994.930289	0.549961871092993	-0.862596494963	0.0430701886567481	0.833333333333333	1.70116928560215	down
Com_1232_pos	LPC 14:0	--	C22 H46 N O7 P	467.30081	14.235	--	--	--	LMGP01050073	--	--	--	Glycerophospholipids [GP]	Glycerophosphocholines [GP01]	Monoacylglycerophosphocholines [GP0105]	No results	Full match	Full match	468.30795	3031628.13213	2826040.31447	7233450.05478	4588106.22995	5608309.7517	7836439.44841	8651042.31422	14069525.9251	13850289.0637	5927489.54819	5553888.45566	6595565.91284	0.569537533748282	-0.812137173115	0.0441594556425478	0.805555555555556	1.28193829661385	down
Com_1854_pos	1-(3,4-dimethoxyphenyl)ethan-1-one oxime	--	C10 H13 N O3	177.07892	10.192	--	--	--	--	--	--	--	--	--	--	Invalid mass	No results	No match	178.08632	720091.737555	631631.511011	1009978.19671	972190.201791	738277.022302	692700.165093	1280390.58573	941680.372658	4620827.04685	1321282.12973	864159.40611	3484942.48606	0.380784899127844	-1.39295182839	0.0442456276384592	0.888888888888889	1.29121537409115	down
Com_4367_pos	Choline bitartrate	--	C9 H19 N O7	253.11725	1.83	--	--	HMDB0000097	--	Organic nitrogen compounds	Organonitrogen compounds	Quaternary ammonium salts	--	--	--	No results	No results	Full match	254.12453	440862.979266	355556.495422	490729.284966	306386.672947	736594.585993	419087.345866	567362.651438	1098776.33501	1959672.69268	894402.947155	631716.472167	417735.032089	0.49360541548187	-1.01856987211	0.0443854099391659	0.833333333333333	1.04386376103513	down
Com_4856_pos	PC (16:1/18:5)	--	C42 H72 N O8 P	749.49973	16.61	--	--	--	--	--	--	--	--	--	--	No results	Full match	No results	750.50647	1715562.06745	968305.797779	2608864.6963	1696349.90497	1923783.69081	3019513.1381	2613911.41688	3900221.45473	5149494.44298	1960887.01413	3595125.91047	2306011.18707	0.611112993616242	-0.710488938643	0.0467276070419201	0.861111111111111	1.51944320082378	down
Com_2588_pos	PC (18:2e/20:5)	--	C46 H80 N O7 P	789.56665	16.492	--	--	--	--	--	--	--	--	--	--	No results	Full match	No results	790.57355	14886007.8929	15683712.6818	14281069.8976	18984745.3414	10537401.6851	15532610.041	13837849.009	1688553.3834	6677221.10882	9540093.76321	9755125.93202	6558457.28896	1.87079895524084	0.903654528188	0.0472073275168912	0.972222222222222	1.97854972528477	up
Com_54_pos	N-Tetradecanamide	--	C14 H29 N O	227.2247	14.529	--	--	--	--	--	--	--	--	--	--	No results	No results	Full match	228.23215	642981004.781	838624041.56	697102923.384	690793641.907	662478195.94	543212001.188	1036246994.29	944776711.916	615758140.138	831621981.277	803216829.645	816655334.095	0.807244258383215	-0.308922820345	0.0475224778134354	0.777777777777778	1.15808490091011	down
Com_5957_pos	LPC 15:1	--	C23 H46 N O7 P	479.30042	14.292	--	--	--	LMGP01050125	--	--	--	Glycerophospholipids [GP]	Glycerophosphocholines [GP01]	Monoacylglycerophosphocholines [GP0105]	No results	Full match	Full match	480.30795	341236.39906	325549.260024	764680.449068	588700.546069	590817.53889	1217870.93827	954001.070486	1742554.63091	1832928.60292	809111.954304	691005.73396	795882.83638	0.560964565496573	-0.834018452034	0.0475476454274587	0.861111111111111	1.37199530057427	down
Com_986_pos	3-hydroxy-3-methylpentanedioic acid	3-Hydroxy-3-methylglutarate; 3-Hydorxy-3-methylglutaric acid; beta-Hydroxy-beta-methylglutaric acid; Dicrotalic acid; 3-Hydroxy-3-methylpentanedioic acid; Meglutol	C6 H10 O5	184.03478	1.194	cpd:C03761	--	HMDB0059737	--	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	--	--	--	Invalid mass	No results	No results	185.04199	29079503.2306	19527054.8046	39271986.7819	25452698.9009	31987291.8384	36129943.8	33427611.4082	44233195.9058	42744065.6442	36536331.8736	40909741.2024	35515282.4384	0.777526725027843	-0.363035830702	0.0478947919305308	0.861111111111111	1.71513400808508	down
Com_676_pos	Propionylcarnitine	--	C10 H19 N O4	217.13124	3.054	--	--	HMDB0000824	LMFA07070105	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	Fatty Acyls [FA]	Fatty esters [FA07]	Fatty acyl carnitines [FA0707]	Full match	Full match	Full match	218.13835	25810869.8398	16963333.3424	22955832.5517	26099737.5524	48428990.1786	39597764.5454	21965961.1894	64066681.6494	67098789.3546	41100770.4806	80310289.2367	44540007.8236	0.563667791746857	-0.827082961353	0.0497158276771301	0.805555555555556	1.31702326708821	down