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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,3 CyclohexanedioneCyclohexane-1,3-dioneME435660-C0106614.78113.05998
1,3-DIAMINOPROPANE (IORA)1,3-DiaminopropaneME435655-C009861.18275.09198
13-methoxy-1,6-diazatetracyclo[7.6.1.0?,??.0??,??]...-ME435814--8.519251.08907
1,4-Cyclohexanedicarboxylic acid-ME435789--3.575173.07878
1,4-Cyclohexanedione-ME435714-C0806310.634113.05997
1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone-ME435724-C107022.69205.11833
1-AMINOCYCLOPROPANECARBOXYLATE (IORA)1-Aminocyclopropanecarboxylic acidME435664-C012341.52102.05519
1-HexylamineHexylamineME435716-C083062.483102.12811
1-METHYLADENOSINE (IORA)1-MethyladenosineME435678-C024941.98282.12018
1-Methylnicotinamide1-Methyl nicotinamideME435686-C029181.449137.07115
1-MonostearinMG 18:0/0:0/0:0ME435850--13.426359.31552
2-[(1S)-1-hydroxyethyl]-1H-quinazolin-4-one-ME435747--1.364191.07698
2-[(1S,2S,4aR,8aS)-1-hydroxy-4a-methyl-8-methylide...-ME435839--11.464251.16437
2',4'-DIHYDROXYACETOPHENONE (IORA)2',4'-DihydroxyacetophenoneME435691-C036638.037153.05489
2,5-DIHYDROXYBENZOATE (IORA)Gentisic acidME435635-C006283.206155.02985
25-HYDROXYCHOLESTEROL (IORA)25-HydroxycholesterolME435733-C155192.126202.18025
2,6-Xylidine2,6-DimethylanilineME435727-C1100414.387122.0967
2-AMINOPHENOL (IORA)2-AminophenolME435675-C019871.533110.06036
(2E,4E,12Z)-N-(2-methylpropyl)octadeca-2,4,12-trie...-ME435848--13.009334.31064
2-HYDROXYPYRIDINE (IORA)2-HydroxypyridineME435679-C025022.06896.04471
2-Mercapto benzimidazole-ME435742--1.234151.04543
2-Methylbenzothiazole-ME435770--2.188150.03876
2-Methylpyrrolidine2-Methyl pyrrolidineME435784--3.05286.09679
2-Myristoylglycerol-ME435843--11.998303.2536
2-Phenylacetamide2-PhenylacetamideME435680-C025052.79136.076
(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl...-ME435828--11.151217.14354
(2R)-7-hydroxy-8-(2-hydroxyethyl)-5-methoxy-2-meth...-ME435818--10.298253.10516
(2S)-2-((1S)-1-Hydroxypentyl)-4-methoxy-2,3-dihydr...-ME435820--10.547215.12822
3,5-Dimethoxycinnamic acid-ME435801--4.96209.07857
3-Acetylindole-ME435787--3.291160.07614
3`-Aminoacetophenone-ME435808--6.163136.07367
3-HYDROXYANTHRANILATE (IORA)3-Hydroxyanthranilic acidME435637-C006323.063154.05005
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME435636-C006321.566154.05878
3-HYDROXYMETHYLGLUTARATE (IORA)3-Hydroxymethylglutaric acidME435694-C037612.726163.06161
3-Hydroxypyridine3-HydroxypyridineME435752--1.54896.04472
3-METHOXYTYRAMINE (IORA)3-MethoxytyramineME435699-C055873.424168.10217
3-METHYLADENINE (IORA)3-MethyladenineME435651-C009131.98150.07745
3-Methylcytidine3-MethylcytidineME435766--1.96258.10876
3-METHYLHISTAMINE (IORA)3-MethylhistamineME435743--1.244126.10289
(3S)-5-[(1S,8aR)-2,5,5,8a-tetramethyl-4-oxo-4a,6,7...-ME435840--11.473321.2399
3-UREIDOPROPIONATEUreidopropionic acidME435682-C026421.957133.06096
4-GUANIDINOBUTANOATE (IORA)4-Guanidinobutanoic acidME435659-C010351.837146.09273
4-Hydroxybenzotriazole-ME435753--1.558136.04832
4-Hydroxymandelonitrile4-HydroxymandelonitrileME435763--1.926150.05527
4-Methyl-5-thiazoleethanol5-(2-Hydroxyethyl)-4-methylthiazoleME435696-C042941.438144.04797
4-Methylpyrimidine4-MethylpyrimidineME435744--1.25895.06068
4-PYRIDOXATE (IORA)4-Pyridoxic acidME435648-C008472.598184.05855
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-ph...ScoparoneME435718-C093119.477207.06306
5-AMINOPENTANOATE (IORA)5-Aminopentanoic acidME435627-C004311.123118.08657
5-Aminovaleric acid betaineN,N,N-trimethyl-5-aminovalerateME435758--1.727160.13348
5-Hydroxy-3-indoleacetic acid5-Hydroxyindoleacetic acidME435701-C056354.003192.06601
5-hydroxy-6,7-dimethoxyflavone-ME435812--8.31299.09647
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME435700-C056352.454192.06923
5-Methylcytosine5-MethylcytosineME435677-C023761.96126.06641
5'-S-Methylthioadenosine5'-MethylthioadenosineME435596-C001705.726298.0968
5-VALEROLACTONE (IORA)5-ValerolactoneME435676-C022402.936101.06001
7-Oxocholesterol7-Oxo-cholesterolME435851--14.242401.34073
8-[3-oxo-2-[(E)-pent-2-enyl]cyclopenten-1-yl]octan...-ME435841--11.562293.20911
AdenineAdenineME435594-C001472.969136.06195
ADENINE (IORA)AdenineME435593-C001471.771136.06216
AGMATINE SULFATE (IORA)-ME435598-C001791.345131.12949
Ala-LeuAla-LeuME435802--5.013203.13947
AlanineAlanineME435751--1.53890.05535
AMINOADIPATE (IORA)Aminoadipic acidME435653-C009561.63162.07652
AMINOISOBUTANOATE (IORA)3-Aminoisobutanoic acidME435698-C051451.481104.071
AnabasamineAnabasamineME435788--3.497254.16145
angoletin-ME435838--11.463301.14114
Anileridine-ME435741-D0294111.169353.22986
AnilineAnilineME435608-C002922.61494.06538
ARGININE (IORA)ArginineME435577-C000621.439175.11917
ASCORBATE (IORA)Vitamin CME435580-C000721.854177.03961
ASPARTATE (IORA)Aspartic acidME435734-C164331.516134.04482
Aspartic acidAspartic acidME435575-C000492.299134.04503
Atrazine-ME435704-C065514.621216.09973
Atrazine-desethyl6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamineME435705-C065594.443188.06841
BenzamideBenzamideME435721-C098154.291122.05797
Benzoic acidBenzoic acidME435599-C001802.789123.0444
Benzyl butyl phthalateBenzyl butyl phthalateME435731-C1421111.422313.14331
BETA-NICOTINAMIDE ADENINE DINUCLEOTIDE (IORA)NAD+ME435569-C000031.967332.56161
BIOTINBiotinME435588-C001205.783245.09978
Butyryl carnitine (isomer of 920)CAR 4:0ME435797--4.468232.15474
C10H8O3; PlaSMA ID-436-ME435830--11.188177.05479
C13H18O; PlaSMA ID-565-ME435832--11.207191.14328
C21H36O4; PlaSMA ID-1954-ME435847--12.611353.26639
C9H14N; PlaSMA ID-119-ME435791--3.86136.11243
CADAVERINE (IORA)CadaverineME435670-C016721.21103.12325
CarbamazepineCarbamazepineME435710-C068689.716237.11026
Ceratodictyol-ME435846--12.608331.28445
Chlortoluron-ME435737-C188177.194213.07365
CholineCholineME435587-C001141.439104.1072
CITRULLINE (IORA)CitrullineME435615-C003271.516176.10307
CocamidoprpylBetaine-ME435833--11.244343.29523
columbianetin-ME435819--10.485247.09406
Coniferyl aldehydeConiferyl aldehydeME435683-C026669.272179.07057
Coumaric acidcis-p-Coumaric acidME435781--2.791147.04436
CREATINE (IORA)CreatineME435611-C003001.553132.0771
CreatinineCreatinineME435646-C007913.377114.06654
Curcumenol-ME435735-C1694211.345235.16956
CyclohexanamineCyclohexylamineME435632-C005711.707100.1124
CYS-GLY (IORA)Cys-GlyME435665-C014191.588179.0484
CYSTEINE (IORA)CysteineME435584-C000971.563122.02722
CysteinylglycineCys-GlyME435666-C014192.13179.04872
CYTIDINE (IORA)CytidineME435629-C004751.767244.09326
CYTIDINE MONOPHOSPHATE (IORA)CMPME435576-C000551.716324.05951
CYTOSINE (IORA)CytosineME435621-C003801.767112.05092
D-Ala-D-alaD-Alanyl-D-AlanineME435754--1.644161.09239
D-Alloisoleucine-ME435785--3.052132.10214
DEETN,N-Diethyl-m-toluamideME435726-C1093510.987192.13855
delta-Decalactone-ME435826--11.033171.13811
delta-Undecalactone-ME435821--10.796185.15367
DEOXYCARNITINE (IORA)3-DehydroxycarnitineME435663-C011811.478146.12901
DEOXYCYTIDINE (IORA)DeoxycytidineME435650-C008811.93228.0981
DEOXYGUANOSINE (IORA)DeoxyguanosineME435617-C003302.971268.10452
DEOXYGUANOSINE-MONOPHOSPHATE (IORA)dGMPME435619-C003621.953348.0708
DEOXYURIDINE-MONOPHOSPHATE (IORA)dUMPME435620-C0036514.862155.02956
DErySphingosineSphingosineME435614-C0031912.399300.29031
Desethyl atrazine6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamineME435706-C065595.836188.07083
Di(2-ethylhexyl)phthalate (DEHP)-ME435849--13.258391.28403
DIETHANOLAMINE (IORA)DiethanolamineME435708-C067721.458106.08658
DihydrojasmoneDihydrojasmoneME435831--11.206167.1433
DIHYDROURACIL (IORA)DihydrouracilME435626-C004291.962115.05051
DIHYDROXYFUMARATE (IORA)(E)-2,3-Dihydroxybut-2-enedioic acidME435654-C0097514.556149.01231
DiuronDiuronME435736-C184281.756233.02715
DL-Pipecolinic acidPipecolic acidME435761--1.898130.08647
D-Mannose-6-phosphateMannose 6-phosphateME435607-C002751.826261.03723
DopamineDopamineME435693-C037582.989154.08392
(-)-Eburnamonine-ME435792--3.904295.18817
EpigallocatechinEpigallocatechinME435777--2.703307.08389
ErgothioneineErgothioneineME435756--1.688230.09592
Erucamide13Z-DocosenamideME435852--14.243338.34171
ErythroseErythroseME435671-C017962.308121.03994
ETHYL 3-INDOLEACETATE (IORA)Ethyl 3-indoleacetateME435816--10.021204.10242
EtidronateEtidronic acidME435713-C077363.618206.98033
GabapentinGabapentinME435740-D0033210.623172.13342
gamma-Decalactone-ME435829--11.181171.13811
gamma-Dodecalactonegamma-DodecalactoneME435834--11.262199.1694
gamma-Glutamylglutaminegamma-GlutamylglutamineME435755--1.664276.11963
GLUCOSAMINE (IORA)GlucosamineME435616-C003291.523180.08705
GLUTAMINE (IORA)GlutamineME435578-C000641.504147.07666
Glutathione (reduced)GlutathioneME435767--2.131308.09143
Glycerophosphate(2)sn-Glycero-3-phosphateME435583-C000931.827173.02106
GlycineGlycineME435573-C000372.01576.03961
Glycine-BetaineBetaineME435639-C007192.355118.08657
Gly-LeuGly-LeuME435804--5.109189.12346
GUANINE (IORA)GuanineME435600-C002421.814152.05701
GUANOSINE (IORA)GuanosineME435623-C003873.287284.09897
GUANOSINE MONOPHOSPHATE (IORA)GMPME435592-C001442.66364.06485
HarmalineHarmalineME435811--7.895215.12567
HarmanHarmanME435717-C092097.96183.09209
HarmineHarmineME435703-C065388.152213.10995
Harmol-ME435748--1.367199.08455
Hexaethylene glycolHexaethylene glycolME435809--6.36283.17538
HISTAMINE (IORA)HistamineME435624-C003881.257112.08721
HISTIDINE (IORA)HistidineME435590-C001351.324156.0768
HOMOSERINE (IORA)HomoserineME435606-C002631.5120.06582
HYDROQUINONEHydroquinoneME435631-C005305.241111.0443
HYPOXANTHINE (IORA)HypoxanthineME435605-C002622.247137.04596
Imidacloprid-urea-ME435779--2.708212.05324
Indole-3-carbinolIndole-3-carbinolME435806--5.364130.06537
Indoleacetic acidIndoleacetic acidME435652-C009545.785176.07422
IndolineIndolineME435796--4.441120.081
INOSINE (IORA)InosineME435609-C002943.287269.0885
IsoleucineIsoleucineME435786--3.247132.10214
IsoleucylaspartateIle-AspME435805--5.287247.12949
IsoleucylserineIle-SerME435776--2.55219.13416
KetamineKetamineME435810--7.616238.09952
KYNURENINEKynurenineME435794--4.012209.09236
L-5-OxoprolinePyroglutamic acidME435674-C018792.584130.05005
L-beta-Homolysine-ME435746--1.345161.1286
L-CARNITINE (IORA)CarnitineME435613-C003181.463162.11279
LevamisoleLevamisoleME435711-C070701.588205.08206
L-Glutamic acidGlutamic acidME435572-C000252.896148.06064
L-HistidineHistidineME435591-C001353.537156.08437
LoliolideLoliolideME435837--11.399197.11751
LPC 16:0LPC 16:0ME435844--12.142496.33887
L-TryptophanTryptophanME435581-C000781.37205.09271
LYSINE (IORA)LysineME435574-C000471.291147.11304
Maleamic acidMaleamateME435773--2.294116.03453
MethionineMethionineME435771--2.192150.05847
MethioninesulfoxideMethionine sulfoxideME435769--2.186166.05356
METHYL 4-AMINOBUTYRATE (IORA)Methyl 4-aminobutanoateME435618-C003341.5118.0866
N4-AcetylsulfamethoxazoleN-AcetylsulfamethoxazoleME435730-C130611.475296.06659
N8-AcetylspermidineN8-AcetylspermidineME435658-C010291.449188.17607
N-AcetylarginineN-AcetylarginineME435760--1.797217.12979
N-ACETYLASPARAGINE (IORA)N-AcetylasparagineME435750--1.51588.03961
N-Acetyl-Asp-GluN-Acetyl-Asp-GluME435782--2.902305.09857
N-Acetyl-DL-aspartic acid-ME435775--2.298176.05573
N-Acetyl-DL-glutamic acidN-Acetylglutamic acidME435778--2.707190.0713
N-AcetylhistamineN-AcetylhistamineME435697-C051351.758154.09778
N-Acetylneuraminic acidN-Acetylneuraminic acidME435759--1.747310.11337
N-ACETYLPROLINE (IORA)N-Acetyl-prolineME435793--3.964158.08134
N-ACETYLPUTRESCINE (IORA)N-AcetylputrescineME435684-C027141.683131.11821
N-ACETYLSERINE (IORA)N-AcetylserineME435749--1.491148.06065
N-alpha-Acetyl-L-ornithineN-AcetylornithineME435628-C004371.718175.10797
N-ALPHA-ACETYLLYSINE (IORA)N(2)-AcetyllysineME435729-C129891.65189.12379
N-Butylbenzenesulfonamide-ME435824--10.881214.08969
NCGC00095801-05!7-hydroxychromen-2-oneUmbelliferoneME435719-C0931511.462163.039
NCGC00380112-01!2-(6-hydroxy-6-methyloctyl)-2H-fur...-ME435836--11.289209.15364
NCGC00384951-01!2-(6-hydroxy-6-methylheptyl)-2H-fu...-ME435827--11.139195.13814
Neocuproine-ME435822--10.82209.11508
N-epsilon-AcetyllysineN6-AcetyllysineME435765--1.939189.12379
NICOTINAMIDE (IORA)NiacinamideME435595-C001531.624123.05556
NICOTINATE (IORA)Nicotinic acidME435604-C002531.935124.03967
NicotineNicotineME435640-C007451.97163.12338
N-Methyl-2-pyrrolidoneN-Methylpyrrolidin-2-oneME435728-C111184.295100.07598
N-METHYL-L-GLUTAMATEN-Methyl-glutamic acidME435762--1.901162.07654
N,N-AcetylhistidineN-AcetylhistidineME435688-C029972.752198.09514
N,N-Diethyl-4-hydroxybenzamide-ME435798--4.62194.11771
N,N-DimethylanilineN,N-DimethylanilineME435685-C028464.295122.09669
N,N-DIMETHYL-ARGININE (IORA)DimethylarginineME435690-C036261.506203.15074
N,N-Dimethyldodecylamine N-oxideN,N-Dimethyldodecylamine N-oxideME435823--10.873230.24773
N,N-DimethylformamideN,N-DimethylformamideME435689-C031342.13574.06034
N,N,N-TRIMETHYLLYSINE (IORA)N-6-TrimethyllysineME435695-C037931.382189.1601
Norharmanbeta-CarbolineME435739-C201576.674169.08377
Norvaline betaine-ME435768--2.175160.14465
O-ACETYLCARNITINE (IORA)CAR 2:0ME435681-C025711.842204.12355
o-Anisic acid-ME435800--4.911153.05235
OCP_239.0946_17.0-ME435813--8.518239.08899
OleamideOleamideME435845--12.566282.27917
O-PHOSPHOSERINE (IORA)PhosphoserineME435657-C010051.494186.01665
OXOPROLINE (IORA)Pyroglutamic acidME435673-C018791.514130.05026
PaeonolPaeonolME435725-C107129.586167.07054
PALMITOYLCARNITINE (IORA)CAR 16:0ME435687-C0299011.019400.34143
PantothenatePantothenic acidME435649-C008644.911220.11807
ParacetamolAcetaminophenME435709-C0680414.83152.07085
Pentadecanoyl EthanolamidePentadecanoyl-EAME435842--11.892286.27405
Pesticide3_Cycluron_C11H22N2O_3-Cyclooctyl-1,1-dim...-ME435817--10.255199.18069
PhenylalaninePhenylalanineME435795--4.44166.08658
PhosphocholineCholine phosphateME435634-C005881.829184.07362
PHOSPHONOACETATE (IORA)AcetylphosphateME435702-C056821.213140.99593
PHOSPHORYLCHOLINE (IORA)Choline phosphateME435633-C005881.502184.07362
Phthalic anhydride-ME435772--2.194149.02353
PIPECOLATE (IORA)Pipecolic acidME435625-C004081.292130.08667
PRI_303.1340_15.8-ME435835--11.274303.13812
ProlineProlineME435780--2.733116.07093
Proline betaineProline betaineME435723-C101721.318144.10204
PROPENOIC ACIDPropenoic acidME435630-C005112.60673.02872
PropionylcarnitineCAR 3:0ME435783--2.903218.13911
PUTRESCINE (IORA)PutrescineME435589-C001341.26189.10773
Pyrenocin A putative-ME435815--8.673209.07857
PyridinePyridineME435641-C007471.52580.04982
PYRIDOXAL (IORA)PyridoxalME435603-C002501.923168.06592
PyrrolidinePyrrolidineME435745--1.26372.08111
RETINOATE (IORA)Retinoic acidME435643-C0077711.465301.21619
Ritalinic acidRitalinic acidME435790--3.763220.13342
S-ADENOSYLHOMOCYSTEINE (IORA)S-AdenosylhomocysteineME435571-C000212.467193.06853
SALSOLINOL (IORA)SalsolinolME435720-C096422.241180.10228
S-CarboxymethylcysteineS-Carboxymethyl-cysteineME435692-C037272.525180.03256
SEBACATE (IORA)Sebacic acidME435715-C082779.529203.12784
SERINE (IORA)SerineME435579-C000651.465106.05009
SerylleucineSer-LeuME435799--4.781219.13416
sn-Glycero-3-phosphocholinesn-Glycero-3-phosphocholineME435638-C006701.512258.11041
SORBOSE (IORA)SorboseME435602-C002471.20291.03938
SPERMIDINE (IORA)SpermidineME435612-C003151.126146.1655
SPERMINE (IORA)SpermineME435642-C007501.055203.22342
SPHINGANINE (IORA)SphinganineME435647-C0083610.958302.30566
Sulfadiazine-ME435712-C076583.08251.06396
SulfamethazineSulfamethazineME435738-C1953011.209279.09351
Tacrine-ME435667-C014539.95199.13092
TaurineTaurineME435601-C002451.516126.02217
THIAMINE MONOPHOSPHATE (IORA)Thiamine monophosphateME435661-C010811.581173.04243
Thiazolidine-4-carboxylic acid-ME435757--1.695134.02733
Threonylleucine (isomer of 809, 926)Thr-LeuME435803--5.074233.14986
ThymineThymineME435597-C001784.234127.05041
ThymolThymolME435722-C0990811.168151.11195
trans-Ferulic acidtrans-Ferulic acidME435668-C0149410.994177.05479
Tri(butoxyethyl) phosphateTri(butoxyethyl)phosphateME435732-C1444611.48399.25064
TriethanolamineTriethanolamineME435707-C067711.453150.11275
TRIGONELLINE (IORA)TrigonellineME435656-C010041.573138.05528
Trimethylamine N-oxideTrimethylamine N-oxideME435662-C0110410.75576.07593
Triphenylphosphine oxid-ME435825--11.022279.09351
TryptophanTryptophanME435807--5.837205.09743
TYROSINE (IORA)TyrosineME435669-C015362.785182.08144
UracilUracilME435586-C001062.607113.03482
URACIL (IORA)UracilME435585-C001062.018113.03481
UreaUreaME435582-C000861.54961.03988
URIDINE 5'-DIPHOSPHATE (IORA)UDPME435570-C000152.6203.00826
URIDINE (IORA)UridineME435610-C002992.607245.07713
UROCANATE (IORA)Urocanic acidME435644-C007851.931139.05048
Urocanic acidUrocanic acidME435645-C0078514.748139.05489
valeramidePentanamideME435672-C018425.901102.09171
ValineValineME435764--1.934118.08657
Vinyl Carbamate-ME435774--2.29688.03961
XANTHINE (IORA)XanthineME435622-C003852.545153.04091


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-Aminoadipic acidalpha-Aminoadipic acidME435878-C009561.628160.05479
2-Hydroxybenzaldehyde2-HydroxybenzaldehydeME435879-C062027.406121.02428
2-Hydroxyisobutyric acid2-Hydroxyisobutyric acidME435880-C059843.614103.03564
2-METHYLMALEATE (IORA)Citraconic acidME435871-C022262.331129.01378
3-HYDROXYBENZOATE (IORA)3-Hydroxybenzoic acidME435865-C005876.101137.01849
4-HYDROXYBENZALDEHYDE4-HydroxybenzaldehydeME435881-C0063310.34121.02428
4-Nitrophenol4-NitrophenolME435868-C008709.752138.01387
ADENINEAdenineME435857-C001472.977134.0414
AspartateAspartic acidME435882-C000491.519132.02455
Azelaic acidAzelaic acidME435877-C0826110.599187.08942
CreatineCreatineME435861-C003001.568130.05667
DIHYDROOROTATE (IORA)4,5-Dihydroorotic acidME435862-C003371.584157.02994
DL-3-Aminoisobutyric acid3-Aminoisobutanoic acidME435883-C023561.533102.05167
DOPADOPAME435896-C003551.714196.0659
D-PANTOTHENIC ACIDPantothenic acidME435867-C008644.915218.09381
FUMARATE (IORA)Fumaric acidME435856-C001221.963114.99886
GluconateGluconic acidME435897-C002571.567195.0425
GlucoseGlucoseME435884-C000311.543179.04851
GlutamineGlutamineME435885-C000641.482145.05574
GLYCERATEGlyceric acidME435886-C002581.701105.01485
Glycerophosphate(2)sn-Glycero-3-phosphateME435855-C000931.979170.99908
HydroxyButyric acidHydroxybutyric acidME435876-C059841.63103.03561
HYPOXANTHINE (IORA)HypoxanthineME435859-C002622.247135.02551
Itaconic acid (Not validated)Itaconic acidME435864-C004901.708129.01378
L-5-OxoprolinePyroglutamic acidME435887-C018792.583128.0298
Lactic acidLactic acidME435858-C002562.22189.02062
L-Glutamic acidGlutamic acidME435888-C000251.524146.03943
MALEATE (IORA)Maleic acidME435869-C013841.57115.00999
Meglutol3-Hydroxymethylglutaric acidME435875-C037613.279161.03854
METHIONINE SULFOXIMINE (IORA)Methionine sulfoximineME435874-C035101.48179.04857
N-ACETYLALANINE (IORA)N-AcetylalanineME435889--2.294130.04533
N-AcetylaspartateN-Acetylaspartic acidME435890-C010422.298174.03329
O-PhosphoethanolaminePhosphoethanolamineME435891-C003461.486140.00583
OROTATE (IORA)Orotic acidME435860-C002951.567155.00737
OXOPROLINE (IORA)Pyroglutamic acidME435870-C018791.531128.0298
Phenylphosphoric acidPhenyl phosphateME435873-C027341.708173.00182
Phosphoric acidPhosphoric acidME435853-C000092.58596.96552
Salicylic acidSalicylic acidME435892-C0080510.753137.01849
SUCCINIC ACIDSuccinic acidME435854-C000422.919117.01439
TaurineTaurineME435893-C002451.495124.00192
ThreonineThreonineME435894-C001881.495118.04585
TRYPTOPHANTryptophanME435895-C000785.84203.0742
UREIDOPROPIONATE (IORA)Ureidopropionic acidME435872-C026421.497131.04036
UROCANATE (IORA)Urocanic acidME435866-C007851.885137.02965
XanthineXanthineME435863-C003852.544151.01955


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