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Analysis: HILIC 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
12-Hydroxydodecanoic acid12-Hydroxy lauric acidME268013---217.1798
1-Methylhistidine1-MethylhistidineME267996---170.0923
24-Dihydroxyacetophenone2',4'-DihydroxyacetophenoneME267986---153.0546
3-Methylhistamine3-MethylhistamineME267975---126.1026
3-Sulfinoalanine3-Sulfino-alanineME267987---154.0169
4-Pyridoxic acid4-Pyridoxic acidME268005---184.0605
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME268015---221.0921
AcetylglycineN-AcetylglycineME267971---118.0498
AllantoinAllantoinME267990---159.0512
All-trans-retinoic acidRetinoic acidME268019---301.2162
Benzoic acidBenzoic acidME267973---123.044
BenzylamineBenzylamineME267966---108.0808
BilirubinBilirubinME268027---585.2706
BiliverdinBiliverdinME268026---583.2543
Cholic acidCholic acidME268025---409.2966
CitrullineCitrullineME268000---176.103
CortisolCortisolME268023---363.2165
CreatinineCreatinineME267969---114.0662
DethiobiotinDethiobiotinME268012---215.1392
DodecanoylcarnitineCAR 12:0ME268022---344.2797
GlucosamineGlucosamineME268002---180.0866
Glutamic acidGlutamic acidME267983---148.0604
GlutamineGlutamineME267981---147.0764
Guanidinosuccinic acidGuanidinosuccinic acidME267998---176.0663
GuanineGuanineME267985---152.0567
Hippuric acidHippuric acidME268001---180.0655
HistamineHistamineME267968---112.0869
HistidineHistidineME267989---156.0768
HomocysteineHomocysteineME267979---136.0427
HypotaurineHypotaurineME267967---110.027
HypoxanthineHypoxanthineME267980---137.0458
Indole-3-methyl acetateIndole-3-methyl acetateME268006---190.0863
IndoleacetaldehydeIndoleacetaldehydeME267991---160.0757
Indoleacetic acidIndoleacetic acidME267999---176.0707
InosineInosineME268018---269.0881
KynurenineKynurenineME268011---209.092
LipoamideLipoamideME268009---206.0669
LysineLysineME267982---147.1128
MethionineMethionineME267984---150.0584
Methyl jasmonateMethyl jasmonateME268016---225.1485
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME268010---208.0972
N-Acetylneuraminic acidN-Acetylneuraminic acidME268021---310.1125
N-AcetylputrescineN-AcetylputrescineME267977---131.118
OrnithineOrnithineME267978---133.0971
Pantothenic acidPantothenic acidME268014---220.1179
PhenylalaninePhenylalanineME267993---166.0863
PhenylethylaminePhenylethylamineME267972---122.0964
Phenylpyruvic acidPhenylpyruvic acidME267992---165.0547
p-OctopamineOctopamineME267988---154.0862
ProlineProlineME267970---116.0706
PyridoxalPyridoxalME267994---168.0656
Quinaldic acidQuinaldic acidME267997---174.055
QuinolineQuinolineME267976---130.0652
(R)-Salsolinol(R)-SalsolinolME268003---180.1019
S-AdenosylhomocysteineS-AdenosylhomocysteineME268024---385.1281
SphinganineSphinganineME268020---302.3054
TaurineTaurineME267974---126.022
trans-Ferulic acidtrans-Ferulic acidME268007---195.0652
TryptophanTryptophanME268008---205.0972
TyrosineTyrosineME268004---182.0812
Uric acidUric acidME267995---169.0356
UridineUridineME268017---245.0766


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
12-Hydroxydodecanoic acid12-Hydroxy lauric acidME268061---215.1652
3-(2-Hydroxyphenyl)propanoic acid3-(2-Hydroxyphenyl)propanoic acidME268049---165.0557
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME268032---121.0295
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME268059---190.051
All-trans-retinoic acidRetinoic acidME268073---299.2012
Aminoadipic acidAminoadipic acidME268047---160.0616
Arachidic acidArachidic acidME268075---311.2956
Aspartic acidAspartic acidME268034---132.0302
BiliverdinBiliverdinME268080---581.2402
Caprylic acidCaprylic acidME268038---143.1078
Cholic acidCholic acidME268078---407.2796
CitrullineCitrullineME268055---174.0885
CreatinineCreatinineME268030---112.0516
CystineCystineME268065---239.0162
Docosahexaenoic acidDocosahexaenoic acidME268076---327.2328
Gamma-Linolenic acidgamma-Linolenic acidME268070---277.2173
GlutamineGlutamineME268040---145.0619
Glyceric acidGlyceric acidME268029---105.0193
Glycocholic acidGlycocholic acidME268079---464.3016
Heptadecanoic acidMargaric acidME268069---269.2484
Hippuric acidHippuric acidME268056---178.0511
HistidineHistidineME268044---154.0623
HypoxanthineHypoxanthineME268035---135.0302
IndoleacetaldehydeIndoleacetaldehydeME268046---158.0612
Indoleacetic acidIndoleacetic acidME268054---174.0561
Leukotriene B4LTB4ME268077---335.2229
Linoleic acidLinoleic acidME268071---279.2329
Mesoxalic acidMesoxalic acidME268031---116.983
MethionineMethionineME268042---148.0439
Myristic acidMyristic acidME268063---227.2016
N-AcetylasparagineN-AcetylasparagineME268051---173.0569
N-Acetylglutamic acidN-Acetylglutamic acidME268058---188.0565
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME268053---174.0407
N-Acetylneuraminic acidN-Acetylneuraminic acidME268074---308.098
Oxoglutaric acid2-Oxoglutaric acidME268039---145.0143
Palmitic acidPalmitic acidME268068---255.2328
Palmitoleic acidPalmitoleic acidME268067---253.2172
Pantothenic acidPantothenic acidME268062---218.1031
Pelargonic acidPelargonic acidME268045---157.1234
Phenylacetic acidPhenylacetic acidME268036---135.0452
PhenylalaninePhenylalanineME268048---164.0717
Quinic acidQuinic acidME268060---191.0562
Ribose 5-phosphateRibose 5-phosphateME268064---229.0121
SalicylamideSalicylamideME268037---136.0404
SerineSerineME268028---104.0352
Stearic acidStearic acidME268072---283.2641
Suberic acidSuberic acidME268052---173.082
ThyroxineThyroxineME268081---775.6824
trans-Cinnamic acidtrans-Cinnamic acidME268041---147.0452
TyrosineTyrosineME268057---180.0667
Ureidopropionic acidUreidopropionic acidME268033---131.0462
Uric acidUric acidME268050---167.0211
UridineUridineME268066---243.0621
XanthineXanthineME268043---151.0262


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