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Analysis: Reversed phase POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-Methyladenosine1-MethyladenosineME875412--1.03282.11968
1-Methylguanosine1-MethylguanosineME875426--2.22298.1146
1-Methylhistidine1-MethylhistidineME875561--0.64170.0924
1-Methylinosine1-MethylinosineME875292--2.3151.06144
1-Methylnicotinamide1-Methyl nicotinamideME875275--0.67137.07094
1-Pyrroline-5-carboxylic acid1-Pyrroline-5-carboxylic acidME875257--0.7114.05496
25-Hydroxyvitamin D325-Hydroxyvitamin D3ME875461--10.05383.33084
2-Amino-5-methylhexanoic acid-ME875287--2.6146.11756
2-Aminoheptanoic acid2-Aminoheptanoic acidME875288--2.73146.11756
2-Aminonicotinic acid2-Aminonicotinic acidME875278--1.11139.0502
2-Aminooctanoic acid2-Aminocaprylic acidME875299--3.7160.13321
2-Chlorophenylalanine-ME875256--3.05200.04728
2-Methylguanosine2-MethylguanosineME875427--2.37298.1146
2-Oxoarginine2-OxoarginineME875311--0.7174.08732
2-Piperidinone2-PiperidinoneME875252--1.97100.07569
3-Amino-2-piperidone3-Amino-2-piperidoneME875258--0.55115.08659
3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid(...-ME875272--6.35241.10705
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine3-Hydroxy-N6,N6,N6-trimethyl-lysineME875345--0.64205.15467
3-Methoxytyrosine3-MethoxytyrosineME875350--1.85212.09173
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME875284--1.31146.08117
4-Aminoantipyrine-ME875341--3.09204.11314
4-Formylaminoantipyrine-ME875367--3.53232.10805
4-Pyridoxic acid4-Pyridoxic acidME875560--1.57184.06043
4-Trimethylammoniobutanoic acid3-DehydroxycarnitineME875286--0.72146.11756
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME875334--3.49192.06552
5'-Methylthioadenosine5'-MethylthioadenosineME875425--3.05298.09684
7,8-Dihydrobiopterin7,8-DihydrobiopterinME875371--1.11240.10912
7-Methylguanine7-MethylguanineME875304--1.04166.07234
AcCa(12:0)-D9CAR 12:0ME875452--8.06353.33603
AcCa(18:0)-D3CAR 18:0ME875470--11431.39227
AdenosineAdenosineME875399--1.36268.10403
Adipoylcarnitine(AcCa(6:0-DC)CAR DC6:0ME875420--2.84290.15981
ADMA+SDMADimethylarginineME875339--0.67203.15025
Alanine+SarcosineAlanineME875552--0.6490.05496
alpha-Aminobutyric acid2-Aminobutyric acidME875436--0.69104.07061
Antipyrine-ME875326--4.17189.10224
Arachidylcarnitine(AcCa(20:0)CAR 20:0ME875477--11.96456.40474
Asp-IleAsp-IleME875382--2.72247.12885
Asp-LeuAsp-LeuME875383--2.92247.12885
Asp-PheAsp-PheME875411--3.14281.1132
BetaineBetaineME875259--0.73118.08626
BilirubinBilirubinME875558--6.89585.27076
BiliverdinBiliverdinME875533--7.45583.25511
Biliverdin isomer1BiliverdinME875568--6.89583.25511
Biliverdin isomer2BiliverdinME875569--7.22583.25511
Biliverdin isomer3BiliverdinME875570--7.94583.25511
BiotinBiotinME875375--3.56245.09544
Butenylcarnitine(AcCa(4:1)CAR 4:1ME875363--2.56230.13868
Butyrylcarnitine(AcCa(4:0)CAR 4:0ME875369--3.1232.15433
CaffeineCaffeineME875337--3.58195.08765
CholineCholineME875254--0.65104.10699
CitrullineCitrullineME875333--0.65176.10297
Clenbuterol-D9-ME875416--4.64286.14339
CortisolCortisolME875454--5.58363.2166
CotinineCotinineME875317--1.28177.10224
CreatineCreatineME875269--0.69132.07675
CreatinineCreatinineME875422--0.69114.06619
CyclandelateCyclandelateME875403--9.44277.17982
CytosineCytosineME875255--0.66112.05054
Decaethylene Glycol(PEG-10)-ME875483--4476.30654
Decanoylcarnitine(AcCa(10:0)CAR 10:0ME875439--7.05316.24824
Decenoylcarnitine(AcCa(10:1)CAR 10:1ME875438--6.56314.23258
Decenoylcarnitine(AcCa(10:1) 1CAR 10:1ME875564--6.24314.23258
Decenoylcarnitine(AcCa(10:1) 2CAR 10:1ME875565--6.42314.23258
Decenoylcarnitine(AcCa(10:1) 3CAR 10:1ME875566--6.75314.23258
DihydrothymineDihydrothymineME875265--1.33129.06585
Dodecaethylene glycol(PEG-12)-ME875528--4.28569.31223
Dodecanoylcarnitine(AcCa(12:0)CAR 12:0ME875450--8.08344.27954
Dodecenoylcarnitine(AcCa(12:1)CAR 12:1ME875447--7.5342.26389
Dopamine quinoneDopamine quinoneME875293--1.96152.07061
Eicoseneoylcarnitine(AcCa(20:1)CAR 20:1ME875476--11.07454.38909
GabapentinGabapentinME875310--3.14172.13321
gamma-Glu-Alagamma-GlutamylalanineME875353--0.72219.09755
gamma-Glu-Ilegamma-GlutamylisoleucineME875395--2.92261.1445
gamma-Glu-Leugamma-GlutamylleucineME875396--3.03261.1445
gamma-Glu-Metgamma-GlutamylmethionineME875405--2.01279.10092
gamma-Glu-Phegamma-GlutamylphenylalanineME875406--3.34295.12885
gamma-Glu-Thrgamma-GlutamylthreonineME875385--0.7249.10811
gamma-Glu-Tyrgamma-GlutamyltyrosineME875434--2.53311.12376
gamma-Glu-Valgamma-GlutamylvalineME875381--1.92247.12885
Glp-Gly-ME875267--0.9187.07133
Glu-LeuGlu-LeuME875394--2.78261.1445
Glu-PheGlu-PheME875424--3.18295.12885
Glutarylcarnitine(AcCa(5:0-DC)CAR DC5:0ME875402--2.55276.14416
Glycerophosphocholinesn-Glycero-3-phosphocholineME875390--0.64258.1101
Glycerylphosphorylethanolaminesn-Glycero-3-phosphoethanolamineME875567--0.64216.06315
Gly-GluGly-GluME875343--0.67205.0819
Gly-LeuGly-LeuME875330--2.71189.12337
Gly-PheGly-PheME875356--3.09223.10772
HematoporphyrinHematoporphyrinME875536--7.42599.28641
Heptaethylene Glycol(PEG-7)-ME875449--3.46344.22789
Hexadecadienoylcarnitine(AcCa(16:2)CAR 16:2ME875463--8.76396.31084
Hexadecenoylcarnitine(AcCa(16:1)CAR 16:0ME875464--9.32398.32649
Hexanoylcarnitine(AcCa(6:0)CAR 6:0ME875393--4.57260.18563
Hexenoylcarnitine(AcCa(6:1)CAR 6:1ME875391--3.98258.16998
Hippuric acidHippuric acidME875370--3.45180.06552
Hippuric acid-D5Hippuric acidME875253--3.48185.0969
His-TrpHis-TrpME875446--2.9342.15607
Homo-L-Arg-ME875331--0.64189.1346
Homostachydrine(S)-HomostachydrineME875296--0.95158.11756
Human Fibrinopeptide A-ME875539--4.03768.84988
Human Fibrinopeptide B-ME875540--4.49776.83678
Hydroxycotininetrans-3-HydroxycotinineME875335--0.97193.09715
Hydroxyisovaleroyl carnitine(AcCa(5:0-OH)CAR 4:0;OH,MeME875398--2.32262.1649
HypoxanthineHypoxanthineME875555--0.99137.04579
Icosadienoylcarnitine(AcCa(20:2)CAR 20:2ME875473--10.45452.37344
Icosatrienoylcarnitine(AcCa(20:3)CAR 20:3ME875472--9.88450.35779
Ile-Gln + Leu-Gln-ME875392--1.29260.16048
Ile-GlyIle-GlyME875328--1.6189.12337
Ile-IleIle-IleME875376--3.46245.18597
Ile-Leu + Leu-Ile-ME875377--3.7245.18597
Ile-PheIle-PheME875407--4.09279.17032
Ile-ProIle-ProME875361--2.99229.15467
Ile-ValIle-ValME875364--2.86231.17032
Indole-3-carboxaldehyde1H-Indole-3-carboxaldehydeME875283--4.87146.06004
Indole-3-methyl acetateIndole-3-methyl acetateME875562--6.49190.08626
Indole-3-propionic acid3-Indolepropionic acidME875315--5.7190.08626
Indoleacetic acidIndoleacetic acidME875316--5176.07061
Indolelactic acidIndolelactic acidME875380--4.56206.08117
Isobutyrylcarnitine(AcCa(iso4:0)CAR 3:0;2MeME875368--3.03232.15433
IsobutyrylglycineIsobutyrylglycineME875344--2.02146.08117
Isovalerylcarnitine(AcCa(iso5:0)CAR 4:0;3MeME875379--3.67246.16998
Kynurenic acidKynurenic acidME875346--3.25190.04987
L-Acetylcarnitine(AcCa(2:0)CAR 2:0ME875342--1.14204.12303
L-ArginineArginineME875428--0.64175.11895
L-AsparagineAsparagineME875549--0.65133.06077
L-Aspartic acidAspartic acidME875544--0.65134.04478
L-CarnitineCarnitineME875301--0.69162.11247
L-CystineCystineME875543--0.67241.03112
Leu-GlyLeu-GlyME875329--1.8189.12337
Leu-LeuLeu-LeuME875378--3.86245.18597
Leu-PheLeu-PheME875408--4.21279.17032
Leu-ProLeu-ProME875362--3.12229.15467
L-Glutamic acidGlutamic acidME875556--0.65148.06043
L-GlutamineGlutamineME875400--0.64147.07642
L-HistidineHistidineME875548--0.8156.07675
LinoleamideLinoleamideME875410--10.03280.26349
Linolenylcarnitine(AcCa(18:3)CAR 18:3ME875466--9.2422.32649
LinoleoylethanolamideLinoleoyl-EAME875442--9.7324.28971
Linoleylcarnitine(AcCa(18:2)CAR 18:2ME875467--9.58424.34214
L-IsoleucineIsoleucineME875270--1.21132.10191
L-KynurenineKynurenineME875349--2.23209.09207
L-LeucineLeucineME875271--1.33132.10191
L-LysineLysineME875547--0.55147.1128
L-MethionineMethionineME875372--0.95150.05833
L-PhenylalaninePhenylalanineME875553--2.25166.08626
L-ProlineProlineME875551--0.69116.07061
L-SerineSerineME875545--0.64106.04987
L-ThreonineThreonineME875550--0.65120.06552
L-TryptophanTryptophanME875325--3.14205.09715
L-TyrosineTyrosineME875554--1.19182.08117
Lysine-d4LysineME875260--0.57151.13791
LysoPC(0:0/14:0)LPC 0:0/14:0ME875481--8.44468.30847
LysoPC(0:0/16:0)LPC 0:0/16:0ME875495--9.4496.33977
LysoPC(0:0/16:1)LPC 0:0/16:1ME875493--8.69494.32412
LysoPC(0:0/18:1)LPC 0:0/18:1ME875509--9.53522.35542
LysoPC(0:0/18:2)LPC 0:0/18:2ME875507--9.03520.33977
LysoPC(0:0/18:3)LPC 0:0/18:3ME875505--8.52518.32412
LysoPC(0:0/19:0)LPC 0:0/19:0ME875517--10.35538.38672
LysoPC(0:0/20:3)LPC 0:0/20:3ME875523--9.3546.35542
LysoPC(0:0/20:4)LPC 0:0/20:4ME875521--8.98544.33977
LysoPC(0:0/20:5)LPC 0:0/20:5ME875519--8.5542.32412
LysoPC(0:0/22:4)LPC 0:0/22:4ME875530--9.6572.37107
LysoPC(14:0/0:0)LPC 14:0/0:0ME875482--8.59468.30847
LysoPC(15:0/0:0)LPC 15:0/0:0ME875491--8.95482.32412
LysoPC(15:0p/0:0)-ME875480--9.6466.3292
LysoPC(16:0/0:0)LPC 16:0/0:0ME875496--9.8496.33977
LysoPC(16:0e/0:0)-ME875492--10.3482.3605
LysoPC(16:0p/0:0)LPC P-16:0ME875489--10.1480.34485
LysoPC(16:1/0:0)LPC 16:1/0:0ME875494--8.9494.32412
LysoPC(16:1p)LPC P-16:1ME875486--9.56478.3292
LysoPC(17:0/0:0)LPC 17:0/0:0ME875504--10.4510.35542
LysoPC(17:1/0:0)LPC 17:1/0:0ME875502--9.4508.33977
LysoPC(18:0/0:0)LPC 18:0/0:0ME875511--11.05524.37107
LysoPC(18:0p/0:0)LPC P-18:0ME875503--10.5508.37615
LysoPC(18:1/0:0)LPC 18:1/0:0ME875510--9.99522.35542
LysoPC(18:1p/0:0)-ME875501--10.3506.3605
LysoPC(18:2/0:0)LPC 18:2/0:0ME875508--9.2520.33977
LysoPC(18:3/0:0)LPC 18:3/0:0ME875506--8.7518.32412
LysoPC(19:0/0:0)LPC 19:0/0:0ME875518--10.49538.38672
LysoPC(20:1/0:0)LPC 20:1/0:0ME875526--11550.38672
LysoPC(20:2/0:0)LPC 20:2/0:0ME875525--10.2548.37107
LysoPC(20:3/0:0)LPC 20:3/0:0ME875524--9.58546.35542
LysoPC(20:4/0:0)LPC 20:4/0:0ME875522--9.15544.33977
LysoPC(20:5/0:0)LPC 20:5/0:0ME875520--8.7542.32412
LysoPC(22:4/0:0)LPC 22:4/0:0ME875531--9.8572.37107
LysoPC(22:5n3/0:0)+LysoPC(0:0/22:5n6)-ME875529--9.35570.35542
LysoPC(22:6/0:0)LPC 22:6/0:0ME875527--9.1568.33977
LysoPE(0:0/16:0)LPE 0:0/16:0ME875474--8.98454.29282
LysoPE(0:0/18:1)LPE 0:0/18:1ME875487--9.13480.30847
LysoPE(0:0/18:2)LPE 0:0/18:2ME875484--8.61478.29282
LysoPE(0:0/20:3)LPE 0:0/20:3ME875499--8.92504.30847
LysoPE(0:0/20:4)LPE 0:0/20:4ME875497--8.61502.29282
LysoPE(0:0/22:5n3)-ME875514--8.82528.30847
LysoPE(0:0/22:5n6)+LysoPE(22:5n3/0:0)-ME875515--8.96528.30847
LysoPE(0:0/22:6)LPE 0:0/22:6ME875512--8.61526.29282
LysoPE(16:0/0:0)LPE 16:0/0:0ME875475--9.15454.29282
LysoPE(16:0p/0:0)LPE P-16:0ME875471--9.45438.2979
LysoPE(18:0/0:0)LPE 18:0/0:0ME875490--10.1482.32412
LysoPE(18:0p/0:0)LPE P-18:0ME875479--10.35466.3292
LysoPE(18:1/0:0)LPE 18:1/0:0ME875488--9.3480.30847
LysoPE(18:1p/0:0)-ME875478--9.53464.31355
LysoPE(18:2/0:0)LPE 18:2/0:0ME875485--8.76478.29282
LysoPE(20:3/0:0)LPE 20:3/0:0ME875500--9.06504.30847
LysoPE(20:4/0:0)LPE 20:4/0:0ME875498--8.75502.29282
LysoPE(22:5n6/0:0)-ME875516--9.13528.30847
LysoPE(22:6/0:0)LPE 22:6/0:0ME875513--8.71526.29282
Methionine sulfoxideMethionine sulfoxideME875303--0.85166.05324
MethylcysteineMethylcysteineME875320--0.7136.04268
Methylglutarylcarnitine(AcCa(iso6:0-DC)CAR DC5:0;3MeME875419--2.72290.15981
Methylimidazoleacetic acidMethylimidazoleacetic acidME875279--0.7141.06585
Metoprol-ME875401--4.56268.19072
MetronidazoleMetronidazoleME875309--2.76172.07167
N1-Acetylspermidine+N8-AcetylspermidineN1-AcetylspermidineME875324--0.64188.17574
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME875308--1.48153.06585
N2-MethylguanineN2-MethylguanineME875305--1.19166.07234
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME875435--2.74312.13025
N-(3-acetamidopropyl)pyrrolidin-2-oneAcisogaME875322--2.78185.12845
N6-Acetyl-L-lysineN6-AcetyllysineME875327--0.72189.12337
N6-MethyladenosineN6-MethyladenosineME875413--2.42282.11968
N(6)-MethyllysineN(6)-MethyllysineME875300--0.64161.12845
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME875332--0.64189.15975
N-a-Acetyl-L-arginineN-AcetylarginineME875351--0.99217.12952
N-AcetylasparagineN-AcetylasparagineME875313--0.64175.07133
N-AcetylcadaverineN-AcetylcadaverineME875282--0.99145.13354
N-Acetylglutamic acidN-Acetylglutamic acidME875323--1.08190.071
N-AcetylglutamineN-AcetylglutamineME875307--0.79189.08698
N-AcetylisoleucineN-AcetylisoleucineME875559--3.77174.11247
N-AcetylleucineN-AcetylleucineME875312--3.95174.11247
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME875348--4.29208.09682
N-AcetylornithineN-AcetylornithineME875314--0.7175.10772
N-AcetylputrescineN-AcetylputrescineME875268--0.7131.11789
N-acetyltryptophanN-Acetyl-tryptophanME875290--4.59247.10772
N-AcetyltyrosineN-AcetyltyrosineME875357--3.12224.09173
N-gamma-Glu-Gln-ME875274--0.67276.11901
N-Hexosyl Alanine-ME875386--0.65252.10778
N-Hexosyl Glutamine-ME875432--0.65309.12924
N-Hexosyl Isoleucine-ME875421--1.35294.15473
N-Hexosyl Leucine-ME875263--1.35294.15473
N-Hexosyl Lysine-ME875433--0.58309.16563
N-Hexosyl Phenylalanine-ME875443--2.35328.13908
N-Hexosyl Proline-ME875404--0.7278.12343
N-Hexosyl tryptophan-ME875455--3.03367.14998
N-Hexosyl Tyrosine-ME875448--1.18344.13399
N-Hexosyl Valine-ME875409--0.73280.13908
NiacinamideNiacinamideME875262--0.99123.05529
N,N,N-trimethyl-5-aminovaleric aciddelta-ValerobetaineME875298--0.99160.13321
N,N,N-Trimethyl-alanyl-proline betaineN,N,N-Trimethyl-alanylproline betaineME875360--1.26229.15467
Nonanoylcarnitine(AcCa(9:0)CAR 9:0ME875430--6.24302.23258
OctadecanamideStearamideME875415--11.4284.29479
Octaethylene glycol(PEG-8)-ME875462--3.67388.25411
Octanoylcarnitine(AcCa(8:0)CAR 8:0ME875418--5.91288.21693
Octenoylcarnitine(AcCa(8:1)CAR 8:1ME875417--5.23286.20128
Octenoylcarnitine(AcCa(8:1) isomerCAR 8:1ME875563--5.35286.20128
OleamideOleamideME875414--10.6282.27914
Oleoylcarnitine(AcCa(18:1)CAR 18:1(9Z)ME875468--10.19426.35779
OrnithineOrnithineME875541--0.55133.09715
Palmitic amidePalmitamideME875389--10.58256.26349
Palmitoylcarnitine(AcCa(16:0)CAR 16:0ME875465--10.04400.34214
PalmitoylethanolamidePalmitoyl-EAME875321--10.14300.28971
Pantothenic acidPantothenic acidME875542--2.37220.11795
PantothenolPantothenolME875347--2.4206.13868
Phe-GluPhe-GluME875423--2.62295.12885
Phe-GlyPhe-GlyME875355--2.74223.10772
Phe-IlePhe-IleME875285--3.96279.17032
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME875295--3.5265.11828
PhenylacetylglycinePhenylacetylglycineME875336--3.76194.08117
Phe-PhePhe-PheME875294--4.45313.15467
Phe-SerPhe-SerME875387--2.06253.11828
Phe-TrpPhe-TrpME875451--4.68352.16557
PhytosphingosinePhytosphingosineME875441--8.55318.30027
Pipecolic acidPipecolic acidME875557--0.94130.08626
PorphobilinogenPorphobilinogenME875358--2.44227.10263
Pro-Hyp-ME875359--0.7229.11828
Proline betaineProline betaineME875281--0.7144.10191
Propionylcarnitine(AcCa(3:0)CAR 3:0ME875352--2.22218.13868
PropylparabenPropylparabenME875273--6.75139.03897
Pyroglutamic acidPyroglutamic acidME875532--1.01130.04987
PyroglutaminePyroglutamineME875264--0.67129.06585
Quinolinic acidQuinolinic acidME875306--0.97168.02913
Ser-LeuSer-LeuME875354--2.55219.13393
SerotoninSerotoninME875297--2.34160.07569
Ser-PheSer-PheME875388--2.99253.11828
S-MethylmethionineS-MethylmethionineME875302--1.57164.07398
SpermidineSpermidineME875289--0.53146.16517
SpermineSpermineME875340--0.55203.22302
SphinganineSphinganineME875431--9.11302.30536
Sphinganine 1-phosphateSphinganine 1-phosphateME875460--8.41382.27169
SphingosineSphingosineME875429--8.83300.28971
Sphingosine 1-phosphateSphingosine 1-phosphateME875459--8.19380.25604
Stearoylcarnitine(AcCa(18:0)CAR 18:0ME875469--11428.37344
StearoylethanolamideStearoyl-EAME875444--10.94328.32101
Succinylcarnitine(AcCa(4:0-DC)CAR DC4:0ME875397--1.28262.12851
TaurineTaurineME875534--0.65126.02194
Taurine-D4TaurineME875546--0.65130.04705
Tetradecadiencarnitine(AcCa(14:2) 1CAR 14:2ME875291--7.96368.27954
Tetradecaethylene glycol(PEG-14)-ME875537--4.5652.4114
Tetradecanoylcarnitine(AcCa(14:0)CAR 14:0ME875458--9.06372.31084
Tetradecenoylcarnitine(AcCa(14:1)CAR 14:1ME875457--8.48370.29519
Tetraethylene glycol(PEG-4)-ME875338--2.49195.1227
TheobromineTheobromineME875318--2.69181.072
TheophyllineTheophyllineME875319--3.02181.072
ThyroxineThyroxineME875535--6.42777.69396
Tiglylcarnitine(AcCa(5:1)CAR 4:1;2MeME875373--3.49244.15433
Tridecanoylcarnitine(AcCa(13:0)CAR 13:0ME875453--8.36358.29519
TrigonellineTrigonellineME875276--0.7138.05496
Trimethylamine N-oxideTrimethylamine N-oxideME875538--0.6776.07569
TryptamineTryptamineME875280--3.56144.08078
Tryptophan 2-C-mannoside-ME875266--2.3367.14998
Tryptophan betaineLenticinME875384--3.49247.1441
Undecanoylcarnitine(AcCa(11:0)CAR 11:0ME875445--7.31330.26389
UracilUracilME875437--1.09113.03455
UreaUreaME875261--0.65121.072
Uric acidUric acidME875456--0.95169.03562
Uridine+PseudouridineUridineME875374--0.85245.07681
Urocanic acidUrocanic acidME875277--0.98139.0502
Val-Ile + Leu-Val-ME875365--3.03231.17032
Val-LeuVal-LeuME875366--3.25231.17032
XanthineXanthineME875440--1.06153.0407


Analysis: Reversed phase NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
11-HETE11-HETEME875750--9.52319.22787
12,13-DHOME12,13-DiHOMEME875744--7.65313.23843
12-HETE12-HETEME875749--9.2319.22787
12-Hydroxystearic acid12-Hydroxy stearic acidME875725--9.81299.25917
14-Hydroxymyristic acid(FFA(14:0-OH)-ME875661--7.13243.19657
1,5-Anhydrosorbitol1,5-AnhydrosorbitolME875601--0.62163.0612
15-HETE15-HETEME875748--8.85319.22787
16-Hydroxyhexadecanoic acidJuniperic acidME875692--8.35271.22787
1,7-Dimethyluric acid1,7-Dimethyluric acidME875630--0.86195.05236
2,3-Dihydroxy-5-methylthio-4-pentenoic acid(DMTPA)-ME875616--0.65177.0227
2-Hydroxy-3-methylbutyric acid+3-Hydroxy-3-methylb...-ME875578--0.83117.05572
2-Hydroxybutyric acid+3-Hydroxybutyric acid-ME875572--0.61103.04007
2-Hydroxydodecanoic acid2-Hydroxylauric acidME875648--8.15215.16527
2-Hydroxyglutaric acid2-Hydroxyglutaric acidME875591--0.51147.0299
2-Hydroxymyristic acid(FFA(14:0-OH)-ME875663--9.02243.19657
2-Hydroxystearic acid2-Hydroxystearic acidME875724--10.92299.25917
2-Methylcitric acid2-Methylcitric acidME875644--0.48205.03538
2-O-Methylascorbic acid2-O-Methylascorbic acidME875624--0.59189.04046
2'-O-Methyluridine2'-O-MethyluridineME875678--1.22257.07791
3,4-Dihydroxybutyric acid3,4-Dihydroxybutyric acidME875579--0.59119.03498
3beta-Hydroxy-5-cholenoic acid3beta-Hydroxy-5-cholenoic acidME875774--7.7373.27482
3beta-Hydroxy-5-cholenoic acid glycine conjugate 3...-ME875673--6.1254.62291
3beta-Hydroxy-5-cholenoic acid taurine conjugate 3...-ME875704--6.23279.61423
3beta-Hydroxy-5-cholestenoic acid-ME875795--9.51415.32177
3b-Hydroxy-5-cholenoic acid glycine conjugate-ME875799--7.7430.29628
3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acidME875687--4.47267.1238
3-Epideoxycholic acidacid-ME875779--7.07391.28538
3-Hydroxycapric acid(FFA(10:0-OH)-ME875623--6.17187.13397
3-Hydroxydodecanoic acid3-Hydroxydodecanoic acidME875647--7.74215.16527
3-Hydroxyhexadecanoic acid3-Hydroxyhexadecanoic acidME875691--10.1271.22787
3-Hydroxyhexanoic acid3-Hydroxycaproic acidME875585--1.1131.07137
3-Hydroxyhippuric acid3-Hydroxyhippuric acidME875628--1.06194.04588
3-Hydroxymethylglutaric acid3-Hydroxymethylglutaric acidME875599--0.59161.04555
3-Hydroxymyristic acid(FFA(14:0-OH)-ME875662--8.83243.19657
3-Hydroxyoctanoic acid(FFA(8:0-OH)-ME875596--3.97159.10267
3-Hydroxypyridine sulfate3-Hydroxypyridine sulfateME875612--1.03173.98665
3-Hydroxystearic acid3-Hydroxystearic acidME875723--10.85299.25917
3-Methyl-2-oxovaleric acid3-Methyl-2-oxovaleric acidME875581--1.57129.05572
3-Methylglutaconic acid3E-Methylglutaconic acidME875589--0.59143.03498
3-Oxotetradecanoic acid3-Oxotetradecanoic acidME875657--8.68241.18092
(4E,15E)-Bilirubin IXa-ME875824--6.4583.25621
(4E,15Z)-Bilirubin IXa-ME875826--6.64583.25621
4-Hydroxychlorothalonil4-HydroxychlorothalonilME875664--6.37244.90817
4-Hydroxyprolinecis-4-HydroxyprolineME875582--0.53130.05097
4-Methylcatechol 1-sulfate4-Methylcatechol 1-sulfateME875640--3.13203.00197
4-Methylcatechol 2-sulfate4-Methylcatechol 2-sulfateME875639--2.9203.00197
4-Vinylphenol sulfate4-HydroxystyreneME875632--4.45199.00705
5,6-Dihydrouridine5,6-DihydrouridineME875667--0.64245.07791
5alpha-Pregnan-3beta,20alpha-diol disulfate5alpha-Pregnan-3beta,20alpha-diol disulfateME875655--5.2239.0853
5beta-Pregnanediol sulfate-ME875796--7.1397.20542
5-HETE5-HETEME875751--9.8319.22787
5-Hydroxyhexadecanoic acid-ME875695--9.56271.22787
5-MethyluridineRibothymidineME875677--1.22257.07791
6-Oxopiperidine-2-carboxylic acid6-oxopiperidine-2-carboxylic acidME875588--0.64142.05097
7alpha-Hydroxy-3-oxo-4-cholestenoate7alpha-Hydroxy-3-oxo-4-cholestenoic acidME875798--8.5429.30103
7alpha-Hydroxy-3-oxo-4-cholestenoate isomer7alpha-Hydroxy-3-oxo-4-cholestenoic acidME875825--8.36429.30103
9,10-DHOME9,10-DiHOMEME875745--7.99313.23843
9-Decenoic acid(FFA(10:1n1)-ME875606--6.25169.1234
9-HODE9-HODEME875718--8.82295.22787
AcesulfameAcesulfameME875600--0.92161.98665
AcetylglycineN-AcetylglycineME875575--0.53116.03532
AllantoinAllantoinME875594--0.59157.03671
alpha-Ketoisovaleric acidKetoisovaleric acidME875574--0.87115.04007
Alpha-Linolenic acid(FFA(18:3n3)-ME875701--9.77277.2173
Aminoadipic acidAminoadipic acidME875597--0.53160.06153
Androstenediol disulfate (1)Androstenediol disulfateME875697--4.5224.06183
Androstenediol disulfate (2)Androstenediol disulfateME875700--4.95224.06183
Androsterone O-glucuronide-ME875811--6.99465.24939
Androsterone sulfate (1)5alpha-Androstane-3alpha-ol-17-one sulfateME875772--5.83369.17412
Androsterone sulfate (2)5alpha-Androstane-3alpha-ol-17-one sulfateME875773--5.97369.17412
Androsterone sulfate (3)5alpha-Androstane-3alpha-ol-17-one sulfateME875782--6.8369.17412
Androsterone sulfate (4)5alpha-Androstane-3alpha-ol-17-one sulfateME875783--7.2369.17412
Androsterone sulfate (5)5alpha-Androstane-3alpha-ol-17-one sulfateME875784--7.55369.17412
Arachidic acid(FFA(20:0)-ME875738--12.08311.29555
Arachidonic acid(FFA(20:4)-ME875728--10.3303.23295
Ascorbic acidVitamin CME875614--0.53175.02481
Ascorbic acid-2-sulfateAscorbic acid 2-sulfateME875674--0.51254.98163
AspirinAspirinME875618--10.3179.03498
Azelaic acid(FFA(9:0-DC)-ME875622--0.64187.09758
Behenic acid(FFA(22:0)-ME875759--12.59339.32685
Benzeneacetamide-4-O-sulphate-ME875653--3.35230.01287
Bromide-ME875837--0.5880.91684
Bromo-tryptophanBromotryptophanME875706--4.3280.99311
Capryloylglycine-ME875636--5.61200.12922
CDCA-D4Chenodeoxycholic acidME875786--8.07395.31049
Chenodeoxycholic acidChenodeoxycholic acidME875780--8.03391.28538
Chenodeoxycholic acid glycine conjugateGlycochenodeoxycholic acidME875805--8.1448.30685
Chloramphenicol-D5ChloramphenicolME875753--5.6326.03643
Cholesterol sulfateCholesterol sulfateME875812--12.27465.3044
cis-Aconitic acidcis-Aconitic acidME875608--0.48173.00916
Citric acidCitric acidME875625--0.53191.01973
C-Mannosyl Alanine-ME875669--0.53250.09323
C-Mannosyl Asparagine-ME875715--0.53293.09904
C-Mannosyl Glutamine-ME875733--0.53307.11469
C-Mannosyl Glycine-ME875654--0.53236.07758
C-Mannosyl Leucine-ME875713--0.9292.14018
C-Mannosyl Serine-ME875686--0.53266.08814
C-Mannosyl Threonine-ME875705--0.53280.10379
C-Mannosyl Valine-ME875702--0.64278.12453
CorticosteroneCorticosteroneME875762--7.72345.20713
Cys-CysCys-CysME875650--0.58223.02166
Cysteine-S-sulfateCysteine-S-sulfateME875634--0.53199.96929
DaidzeinDaidzeinME875671--4.61253.05063
Dehydroepiandrosterone sulfateDehydroepiandrosterone sulfateME875767--6.96367.15847
Deoxycholic acidDeoxycholic acidME875781--8.3391.28538
Deoxycholic acid glycine conjugateGlycodeoxycholic acidME875806--8.3448.30685
Deoxycholic acid isomer 1Deoxycholic acidME875787--8.45391.28538
Deoxycholic acid isomer 2Deoxycholic acidME875788--8.69391.28538
Deoxycholic acid isomer 3Deoxycholic acidME875789--8.89391.28538
DesaminotyrosineDesaminotyrosineME875603--1.01165.05572
Dihydronaringenin-O-sulphate-ME875763--4.17353.03366
Docosadienoate(FFA(22:2)-ME875757--11.7335.29555
Docosahexaenoic acid(FFA(22:6)-ME875754--10.51327.23295
Docosapentaenoic acid(FFA(22:5n3)-ME875756--10.72329.2486
Docosapentaenoic acid(FFA(22:5n6)-ME875755--10.5329.2486
Dodecanedioic acid(FFA(12:0-DC)-ME875652--2.8229.14453
Dodecenoic acid(FFA(12:1)-ME875631--8197.1547
EDTAEdetic acidME875712--0.53291.08339
Eicosadienoic acid(FFA(20:2n6)-ME875734--11.1307.26425
Eicosanedioic acid(FFA(20:0-DC)-ME875760--8.08341.26973
Eicosapentaenoic acid(FFA(20:5)-ME875727--9.8301.2173
Eicosatrienoic acid(FFA(20:3n3)-ME875730--10.67305.2486
Eicosatrienoic acid(FFA(20:3n6)-ME875731--10.8305.2486
Eicosatrienoic acid(FFA(20:3n9)-ME875732--11.04305.2486
Eicosenoic acid(FFA(20:1)-ME875735--11.55309.2799
Enterolactone sulfateEnterolactone sulfateME875775--5.15377.07005
Erucic acid(FFA(22:1n9)-ME875758--12.13337.3112
Ethyl beta-D-glucopyranosideEthyl glucosideME875645--0.95207.08741
Ethylparaben sufate-ME875665--4.74245.01253
FluconazoleFluconazoleME875729--4.85305.09679
Formiminoglutamic acidFormiminoglutamic acidME875609--0.53173.05678
Fumaric acidFumaric acidME875573--0.51115.00368
gamma-CEHCgamma-CEHCME875685--4.43263.12888
gamma-Glu-Glygamma-GlutamylglycineME875641--0.53203.06734
Gluconic acidGluconic acidME875629--0.53195.05103
GluconolactoneGluconolactoneME875617--0.55177.04046
Glucose+myo-InositolGlucoseME875619--0.59179.05611
Glucuronic acidGlucuronic acidME875626--0.53193.03538
Glutaric acidGlutaric acidME875583--0.59131.03498
GlycerolGlycerolME875842--0.6491.04007
Glycochenodeoxycholate-3-sulfateGlycochenodeoxycholic acid 3-sulfateME875820--6.23528.26366
Glycocholic acidGlycocholic acidME875810--7.34464.30176
Glycodeoxycholate-3-sulfateGlycodeoxycholic acid 3-sulfateME875839--6.34528.26366
Glycohyocholic acidGlycohyocholic acidME875809--6.74464.30176
Glycoursodeoxycholate-3-sulfate-ME875819--5.3528.26366
Glycoursodeoxycholic acidGlycoursodeoxycholic acidME875804--7.2448.30685
Heptadecanoic acid(FFA(17:0)-ME875690--11.1269.2486
Heptadecenoic acid(FFA(17:1)-ME875688--10.4267.23295
Hexadecadienoic acid(FFA(16:2)-ME875670--9.71251.20165
Hexadecanedioate(FFA(16:1-DC)-ME875709--5.34283.19148
Hexadecanedioic acid(FFA(16:0-DC)-ME875711--5.5285.20713
HexanoylglycineNA-Gly 6:0ME875607--3.32172.09792
Human Fibrinopeptide A residual [2-16, DSGEGDFLAEG...-ME875836--2.69731.31677
Human Fibrinopeptide B residual [1-13, XGVNDNEEGFF...-ME875835--2.77696.77167
Hydroxy-CMPF-ME875716--0.63255.08741
Hydroxyhexadecanoic acid isomer1Hydroxyhexadecanoic acidME875736--8.72271.22787
Hydroxyhexadecanoic acid isomer2Hydroxyhexadecanoic acidME875739--9.07271.22787
Hyocholic acidHyocholic acidME875791--6.91407.2803
Hyodeoxycholic acidHyodeoxycholic acidME875778--6.93391.28538
Imidazolelactic acidImidazolelactic acidME875593--0.59155.04622
Indole-3-pyruvic acidIndolepyruvic acidME875637--2.69202.05097
Iodide-ME875580--0.59126.90502
Isooctadecanedioic acid(FFA(18:0-DC)-ME875770--6.5313.23843
Isoursodeoxycholic acidIsoursodeoxycholic acidME875776--6.35391.28538
Lactic acidLactic acidME875841--0.5889.02442
L-Cysteinylglycine disulfideCysteinylglycine disulfideME875721--0.54296.03804
Leu-GluLeu-GluME875682--0.9259.12994
Linoleic acid(FFA(18:2n6)-ME875703--10.3279.23295
L-ValineValineME875576--0.66116.0717
LysoPA(0:0/18:1)LPA 0:0/18:1ME875802--11.96435.25171
LysoPA(0:0/18:2)LPA 0:0/18:2ME875800--11.41433.23606
LysoPA(0:0/20:4)LPA 0:0/20:4ME875807--11.31457.23606
LysoPA(16:0/0:0)LPA 16:0/0:0ME875792--12.02409.23606
LysoPA(18:1/0:0)LPA 18:1/0:0ME875803--12.13435.25171
LysoPA(18:2/0:0)LPA 18:2/0:0ME875801--11.59433.23606
LysoPA(20:4/0:0)LPA 20:4/0:0ME875808--11.52457.23606
LysoPI(0:0/18:0)LPI 0:0/18:0ME875830--11.26599.32019
LysoPI(0:0/18:2)LPI 0:0/18:2ME875827--10595.28889
LysoPI(0:0/20:4)LPI 0:0/20:4ME875832--10.04619.28889
LysoPI(16:0/0:0)LPI 16:0/0:0ME875823--10.52571.28889
LysoPI(18:0/0:0)LPI 18:0/0:0ME875831--11.39599.32019
LysoPI(18:1)LPI 18:1ME875829--10.72597.30454
LysoPI(18:2/0:0)LPI 18:2/0:0ME875828--10.2595.28889
LysoPI(20:3)LPI 20:3ME875834--10.5621.30454
LysoPI(20:4/0:0)LPI 20:4/0:0ME875833--10.18619.28889
Malic acidMalic acidME875586--0.53133.01425
Mannitol+SorbitolMannitolME875621--0.59181.07176
Methyl beta-D-glucopyranosideMethyl glucoseME875627--0.64193.07176
Methyldodecanoic acid(FFA(13:0-CH3)-ME875646--9.2213.186
Methyl hexadecanoic acid(FFA(17:0-CH3)-ME875689--10.9269.2486
Methylmyristic acid(FFA(15:0-CH3)-ME875658--10241.2173
Methylpyrogallol sulfate3-Methoxycatechol sulfateME875649--2.53218.99688
Methylsuccinic acidMethylsuccinic acidME875584--0.59131.03498
Monoethylhexyl phthalic acidMonoethylhexyl phthalic acidME875699--7.95277.14453
Myristoleic acid(FFA(14:1n5)-ME875651--9.2225.186
N4-AcetylsulfamethoxazoleN-AcetylsulfamethoxazoleME875717--2.99294.0554
N5-AcetylornithineN(5)-Acetyl-ornithineME875611--0.61173.09317
N-Acetylaminooctanoic acid-ME875635--4.83200.12922
N-Acetylglucosamine sulfate-ME875742--0.59300.03947
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME875613--0.53174.0408
N-AcetyltaurineN-AcetyltaurineME875605--0.59166.01795
N-AcetylthreonineN-AcetylthreonineME875598--0.61160.06153
NegX-RT171MZ00-ME875694--2.88200.02879
NegX-RT295MZ165-ME875680--5.13165.0921
NegX-RT32MZ129-ME875668--0.49129.01933
NegX-RT37MZ197-ME875693--0.59197.03163
NegX-RT385MZ193-ME875684--6.64193.1234
NegX-RT40MZ141-ME875675--0.66140.97807
NegX-RT413MZ424(containing nitrate)-ME875821--6.88424.19769
NegX-RT439MZ313-ME875746--7.29313.12007
NegX-RT464MZ239-ME875714--8.02239.16558
NegX-RT539MZ295-ME875741--8.99295.22787
NegX-RT573-C18H34O4-ME875771--9.55313.23843
Nervonic acid(FFA(24:1)-ME875766--12.61365.3425
N-Formyl-L-methionineN-FormylmethionineME875615--0.95176.03869
N-Oleoyl-SerineNA-Ser 18:1(9Z)ME875769--10.6368.28063
Nonadecenoic acid(FFA(19:1)-ME875720--11.2295.26425
N-Palmitoyl SerineNA-Ser 16:0ME875761--10.4342.26498
Octadecanedioic acid(FFA(18:0-DC)-ME875743--6.8313.23843
Octadecendioic acid(FFA(18:1-DC)-ME875737--6.47311.22278
Octyl butanoateOctyl butanoateME875633--9.75199.17035
Oleic acid(FFA(18:1n9)-ME875707--10.86281.2486
OleoylethanolamideOleoyl-EAME875752--12.4324.2908
O-Methoxycatechol-O-sulphate-ME875638--2.4203.00197
O-SulfotyrosineSulfotyrosineME875683--0.61260.02343
Oxalic acidOxalic acidME875840--0.5388.98803
Oxoglutaric acid2-Oxoglutaric acidME875590--0.53145.01425
Palmitic acid-[13C]16Palmitic acidME875696--10.65271.28663
Palmitic acid(FFA(16:0)-ME875676--10.6255.23295
Palmitoleic acid(FFA(16:1)-ME875672--10.24253.2173
ParaxanthineParaxanthineME875620--2.46179.05745
p-Cresol glucuronideP-Cresol glucuronideME875708--2.3283.08233
Pentadecanoic acid(FFA(15:0)-ME875659--10.2241.2173
Perfluorooctanoic acid(PFOA)-ME875793--7.9412.96643
Phe-LeuPhe-LeuME875740--5.03277.15577
Phenyllactic acidPhenyllactic acidME875604--2.07165.05572
PhosphatePhosphoric acidME875844--0.2996.96962
Pregnandiol sulfate (1)-ME875816--7.75399.22107
Pregnanediol monosulfate-ME875797--7.3399.22107
Pregnanediol O-glucuronide-ME875813--7.31495.29634
Pregnenolone-3,21-disulfate-ME875666--5245.06711
Pregnenolone sulfatePregnenolone sulfateME875785--7.56395.18977
Propylparaben sulfatePropylparaben sulfateME875681--5.7259.02818
Pyrogallol-1-O-sulphatePyrogallol 1-sulfateME875642--0.59204.98123
Pyrogallol-2-O-sulphatePyrogallol 2-sulfateME875643--1.57204.98123
Pyruvic acidPyruvic acidME875838--0.5387.00877
Ribonic acid+XylonateRibonic acidME875602--0.53165.04046
RiboseRiboseME875592--0.59149.04555
Stearic acid-D35Stearic acidME875747--11.33318.48394
Stearic acid(FFA(18:0)-ME875710--11.45283.26425
Stearidonic acid(FFA(18:4n3)-ME875698--9.63275.20165
Steroid-C21H34O3 monosulfate-ME875794--6.69413.20033
Suberic acid(FFA(8:0-DC)-ME875610--0.61173.08193
Succinic acidSuccinic acidME875577--0.51117.01933
SulfateSulfateME875843--0.5196.9601
SulfolithocholylglycineGlycolithocholic acid 3-sulfateME875817--6.85512.26875
Taurochenodesoxycholic acidTaurochenodeoxycholic acidME875814--8.15498.28948
Taurocholic acidTaurocholic acidME875818--7.4514.2844
Taurodeoxycholic acidTaurodeoxycholic acidME875815--8.37498.28948
Taurolithocholic acid 3-sulfateTaurolithocholic acid 3-sulfateME875822--6.96562.25138
Testosterone sulfate (1)Testosterone sulfateME875768--7.2367.15847
Tetracosahexaenoic acid(FFA(24:6)-ME875765--11.04355.26425
Tetradecanedioic acid(FFA(14:2-DC)-ME875679--4.06257.17583
Tetradecanedioic acid(FFA(14:2-DC) isomer1-ME875719--4.25257.17583
Tetradecanedioic acid(FFA(14:2-DC) isomer2-ME875722--4.39257.17583
Tetradecanedioic acid(FFA(14:2-DC) isomer3-ME875726--4.54257.17583
Threonic acidThreonic acidME875587--0.54135.0299
ThymidineThymidineME875656--1.63241.08299
Tricosanoic acid(FFA(23:0)-ME875764--12.63353.3425
UridineUridineME875660--0.64243.06226
Ursocholic acid+Alpha-Muricholic acid+Beta-Muricho...-ME875790--6.1407.2803
Ursodeoxycholic acidUrsodeoxycholic acidME875777--6.85391.28538
Valeric acid(FFA(5:0)-ME875571--0.93101.0608
Valerylglycine-ME875595--1.78158.08227


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