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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
PhosphatePhosphoric acidME934940-C00009-96.9680
DiphosphatePyrophosphateME934941-C00013-176.9346
AMPAMPME934927-C00020-346.0553
PyruvatePyruvic acidME934944-C00022-87.0072
2-Oxoglutarate2-Oxoglutaric acidME934950-C00026-145.0129
UDP-glucoseUDP-glucoseME934938-C00029-565.0469
D-GlucoseGlucoseME934942-C00031-179.0550
SuccinateSuccinic acidME934952-C00042-117.0178
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME934972-C00043-606.0740
GlutathioneGlutathioneME934960-C00051-306.0768
CMPCMPME934930-C00055-322.0447
AscorbateVitamin CME934963-C00072-175.0234
Glycerol 3-phosphatesn-Glycero-3-phosphateME934979-C00093-171.0053
UMPUMPME934932-C00105-323.0278
FumarateFumaric acidME934953-C00122-115.0022
fumarate 13C4Fumaric acidME934925-C00122-119.0159
Glutathione disulfideOxidized glutathioneME934961-C00127-611.1445
IMPIMPME934933-C00130-347.0392
GMPGMPME934929-C00144-362.0504
MalateMalic acidME934954-C00149-133.0129
malate 13C4Malic acidME934926-C00149-137.0264
CitrateCitric acidME934949-C00158-191.0187
MaltoseMaltoseME934946-C00208-341.1093
Eicosatetraenoic acidEicosatetraenoic acidME934995-C00219-303.2326
TaurineTaurineME934975-C00245-124.0059
Hexadecanoic acidPalmitic acidME934988-C00249-255.2325
HypoxanthineHypoxanthineME934935-C00262-135.0300
N-AcetylneuraminateN-Acetylneuraminic acidME934968-C00270-308.0981
InosineInosineME934934-C00294-267.0734
Ethanolamine phosphatePhosphoethanolamineME934980-C00346-140.0107
dAMPdAMPME934928-C00360-330.0634
MannitolMannitolME934947-C00392-181.0705
5-Aminopentanoate5-Aminopentanoic acidME934974-C00431-116.0703
CytidineCytidineME934931-C00475-242.0789
ItaconateItaconic acidME934956-C00490-129.0179
itaconate 13C5Itaconic acidME934924-C00490-134.0349
L-CysteateCysteic acidME934978-C00506-167.9961
HypotaurineHypotaurineME934976-C00519-108.0109
3-Sulfino-L-alanine3-Sulfino-alanineME934977-C00606-152.0010
alpha-D-Ribose 1-phosphateRibose 1-phosphateME934959-C00620-229.0114
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME934943-C00631-184.9849
Octadecenoic acid (oleic acid)Oleic acidME934992-C00712-281.2481
4-Pyridoxate4-Pyridoxic acidME934937-C00847-182.0427
5-6-DihydrothymineDihydrothymineME934936-C00906-127.0498
2-Oxoglutaramate2-Keto-glutaramic acidME934951-C00940-144.0291
DimethylglycineDimethylglycineME934965-C01026-102.0546
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME934973-C01157-130.0497
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME934981-C01233-214.0479
D-Glucono-1-5-lactone 6-phosphate6-Phosphonoglucono-D-lactoneME934957-C01236-257.0074
LactateLactic acidME934945-C01432-89.0229
Octadecanoic acid (stearic acid)Stearic acidME934989-C01530-283.2638
Hexanoic acid (caproate)Caproic acidME934982-C01585-115.0751
LinoleateLinoleic acidME934993-C01595-279.2325
Nonanoic acid (pelargonate)Pelargonic acidME934985-C01601-157.1221
ADP-D-riboseADP-riboseME934939-C01882-558.0632
D-ArabitolArabitolME934948-C01904-151.0610
1-4-beta-D-Xylan-ME934971-C02352-131.0335
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME934955-C02630-147.0286
Dodecanoic acidLauric acidME934986-C02679-199.1697
3-PhosphonooxypyruvatePhosphohydroxypyruvic acidME934966-C03232-182.9669
(8Z-11Z-14Z)-Icosatrienoic acidDihomo-gamma-linolenic acidME934998-C03242-305.2481
ArgininosuccinateArgininosuccinic acidME934967-C03406-289.1151
N-Glycoloyl-neuraminateN-Glycolylneuraminic acidME934969-C03410-324.0935
DehydroascorbateDehydroascorbic acidME934964-C05422-173.0093
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME934962-C05526-425.0803
alpha-D-Glucosamine 1-phosphateGlucosamine 1-phosphateME934970-C06156-258.0380
Sedoheptulose 1-phosphateSedoheptulose 1-phosphateME934958-C06222-289.0334
Octanoic acid (caprylate)Caprylic acidME934984-C06423-143.1065
Tetradecanoic acidMyristic acidME934987-C06424-227.2011
Octadecatrienoic acid (linolenic acid)-ME934994-C06427-277.2168
(5Z-8Z-11Z-14Z-17Z)-Icosapentaenoic acidEPAME934999-C06428-301.2168
Eicosapentaenoic acidEicosapentaenoic acidME934996-C06428-301.2168
Docosahexaenoic acidDocosahexaenoic acidME934997-C06429-327.2327
Tetradecenoic acidTetradecenoic acidME934990-C08322-225.1855
Hexadecenoic acidHexadecenoic acidME934991-C08362-253.2168
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaeno...DPAME935000-C16513-329.2481
Heptanoic acidHeptylic acidME934983-C17714-129.0908


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
NAD+NADME935026-C00003-664.1152
S-Adenosyl-L-methionineS-AdenosylmethionineME935036-C00019-399.1443
GlutamateGlutamic acidME935008-C00025-148.0605
AlanineAlanineME935003-C00041-90.0557
AspartateAspartic acidME935006-C00049-134.0449
Glutathione 13C10GlutathioneME935002-C00051-318.1241
ArginineArginineME935004-C00062-175.1191
GlutamineGlutamineME935009-C00064-147.0763
SerineSerineME935015-C00065-106.0504
MethionineMethionineME935012-C00073-150.0578
TryptophanTryptophanME935017-C00078-205.0970
PhenylalaninePhenylalanineME935013-C00079-166.0860
TyrosineTyrosineME935018-C00082-182.0810
CysteineCysteineME935007-C00097-122.0274
Anthranilate2-Aminobenzoic acidME935054-C00108-138.0548
LeucineLeucineME935011-C00123-132.1021
PutrescinePutrescineME935040-C00134-89.1080
HistidineHistidineME935010-C00135-156.0769
AdenineAdenineME935021-C00147-136.0618
ProlineProlineME935014-C00148-116.0710
AsparagineAsparagineME935005-C00152-133.0606
NicotinamideNiacinamideME935025-C00153-123.0556
L-HomocysteineHomocysteineME935035-C00155-136.0409
ValineValineME935019-C00183-118.0866
ThreonineThreonineME935016-C00188-120.0658
AdenosineAdenosineME935020-C00212-268.1035
CreatineCreatineME935043-C00300-132.0770
SpermidineSpermidineME935041-C00315-146.1651
L-CitrullineCitrullineME935038-C00327-176.1029
kynurenineKynurenineME935052-C00328-209.0900
IndolepyruvateIndolepyruvic acidME935051-C00331-204.0631
XanthineXanthineME935022-C00385-153.0400
N-AcetylornithineN-AcetylornithineME935047-C00437-175.1077
AllantoateAllantoic acidME935023-C00499-177.0609
GuanidinoacetateGuanidoacetic acidME935048-C00581-118.0615
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME935029-C00669-251.0692
spermidine 13C7SpermidineME935001-C00750-153.1885
SpermineSpermineME935042-C00750-203.2228
CreatinineCreatinineME935044-C00791-114.0665
Indole-3-acetateIndoleacetic acidME935050-C00954-176.0704
Cys-GlyCys-GlyME935028-C01419-179.0485
OrnithineOrnithineME935037-C01602-133.0973
CadaverineCadaverineME935039-C01672-103.1234
5-OxoprolinePyroglutamic acidME935027-C01879-130.0499
AcetylcholineAcetylcholineME935057-C01996-146.1176
acetyl-carnitineCAR 2:0ME935058-C02571-204.1230
N-formyl kynurenineN-FormylkynurenineME935053-C02700-237.0897
butanoyl-l-carnitineCAR 4:0ME935060-C02862-232.1542
4-Acetamidobutanoate4-Acetamidobutanoic acidME935045-C02946-146.0811
L-Methionine S-oxideMethionine sulfoxideME935049-C02989-166.0530
propionyl-carnitineCAR 3:0ME935059-C03017-218.1386
g-Oxalo-crotonate4-Oxalocrotonic acidME935056-C03453-159.0276
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME935031-C03738-219.0975
(5-L-Glutamyl)-L-glutaminegamma-GlutamylglutamineME935034-C05283-276.1188
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME935030-C05695-313.0323
Picolinic acidPicolinic acidME935055-C10164-124.0395
5-Hydroxyisourate5-Hydroxyisouric acidME935024-C11821-185.0314
N-Acetyl-L-citrullineN-AcetylcitrullineME935046-C15532-218.1134
gamma-L-Glutamylputrescinegamma-GlutamylputrescineME935033-C15699-218.1497
gamma-Glutamyl-gamma-aminobutyrate4-(Glutamylamino) butanoateME935032-C15767-233.1131


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