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Analysis: Normal phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1,2-Dipalmitin-ME391407----
1,3-Bisphosphoglyceric acid3-Phospho-D-glyceroyl dihydrogen phosphateME391408----
16:0 Lyso PA-ME391409----
16:0 Lyso PG-ME391410----
18-HETE18-HETEME391411----
1α,25-dihydroxy-23-thiavitamin D3-ME391412----
1-Lauroyl-rac-glycerol-ME391413----
1-LinoleoylglycerophosphocholineLPC 18:2ME391414----
1-methyl-nicotinamide1-Methyl nicotinamideME391415----
1-MonomyristinMG 14:0ME391416----
1-OleoylglycerophosphoserineLPS 18:1/0:0ME391417----
1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholinePC 16:0/18:1ME391418----
1-palmitoyl-glycerophosphoethanolamineLPE 16:0ME391419----
1-Phosphatidyl-D-myo-inositol-ME391420----
2,3-Dinor-thromboxane B22,3-Dinor-TXB2ME391421----
2,6-Dihydroxypyridine2,6-DihydroxypyridineME391422----
2-ArachidonoylglycerolMG 20:4ME391423----
2-DCHA-PAF-ME391424----
2-PhenethylaminePhenylethylamineME391425----
3',5'-cGMP-ME391426----
3-hydroxybutyrylcarnitineCAR 4:0;3OHME391427----
3-HydroxykynurenineHydroxykynurenineME391428----
3-Indoleacetic Acid (IAA)Indoleacetic acidME391429----
3-Methylhistamine3-MethylhistamineME391430----
3-Methylhistidine3-MethylhistidineME391431----
3-Sulfodeoxycholic acidDeoxycholic acid 3-sulfateME391432----
3-Ureidopropionic Acid/N-Carbamoyl-beta-alanine-ME391433----
4-Acetamidobutanoic Acid4-Acetamidobutanoic acidME391434----
4-Aminobutanoic Acid (GABA)gamma-Aminobutyric acidME391435----
4-Guanidinobutyric Acid4-Guanidinobutanoic acidME391436----
4-hydroxynonenal Glutathione-ME391437----
4-Hydroxyphenylretinamide-ME391438----
4-Oxoproline4-Oxo-prolineME391439----
5,10-Methenyltetrahydrofolate5,10-Methenyl-THFME391440----
5,6-2H-5-methyluracil-(TH2)-ME391441----
5a-Allotetrahydrocortisol-ME391442----
5-Aminoimidazol ribonucleotide (AIR)-ME391443----
5-Aminopentanoate/5-Aminovaleric Acid-ME391444----
5'-CMPCMPME391445----
5-Hydroxyindole-3-acetic Acid (5HIAA)5-Hydroxyindoleacetic acidME391446----
5-Methoxytryptamine/O-methylserotonin-ME391447----
5-Methyl-2'-deoxycytidine5-Methyl-2'-deoxycytidineME391448----
5-Methylcytosine5-MethylcytosineME391449----
Acetylcarnitine (C2:0)CAR 2:0ME391450----
AdenineAdenineME391451----
ADPADPME391452----
ADP-GlucoseADP-glucoseME391453----
ADP-RiboseADP-riboseME391454----
AlanineAlanineME391455----
Ala-TyrAla-TyrME391456----
alfa-Methyl-L-tyrosine-ME391457----
all-trans RetinalRetinalME391458----
AllysineAllysineME391459----
AnserineAnserineME391460----
ArginineArginineME391461----
Arotinoid Acid-ME391462----
Ascorbic acidVitamin CME391463----
AsparagineAsparagineME391464----
Aspartic AcidAspartic acidME391465----
Aspartyl glutamic acidAsp-GluME391466----
BenzylamineBenzylamineME391467----
Beta-Alaninebeta-AlanineME391468----
Beta-Carotenebeta-CaroteneME391469----
BiliverdinBiliverdinME391470----
ButenylcarnitineCAR 4:1ME391471----
Butyryl-CoAButyryl-CoAME391472----
CarnitineCarnitineME391473----
CDP ethanolamineCDP-EthanolamineME391474----
ChenodeoxycholateChenodeoxycholic acidME391475----
Cholesteryl AcetateCholesteryl acetateME391476----
CholineCholineME391477----
Ciglitazone-ME391478----
cis-4-Hydroxyprolinecis-4-HydroxyprolineME391479----
CoA-SSH-ME391480----
Coenzyme M-SSH-ME391481----
CreatineCreatineME391482----
CreatinineCreatinineME391483----
CTPCTPME391484----
CysGlyCys-GlyME391485----
CysteamineCysteamineME391486----
CystineCystineME391487----
CytidineCytidineME391488----
Cytidine diphosphate (CDP)CDPME391489----
Cytidine diphosphate choline (CDPcholine)CDP-cholineME391490----
CytosineCytosineME391491----
Decadienoylcarnitine (C10:2)CAR 10:2ME391492----
Deoxycarnitine/gamma-butyrobetaine-ME391493----
DeoxycytidineDeoxycytidineME391494----
Deoxythymidine 5'-diphosphate (dTDP)dTDPME391495----
D-Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME391496----
DiethanolamineDiethanolamineME391497----
Dodecanoylcarnitine (C12:0)CAR 12:0ME391498----
DopamineDopamineME391499----
dUMPdUMPME391500----
D-UrobilinogenD-UrobilinogenME391501----
EpinephrineEpinephrineME391502----
ErgothioneineErgothioneineME391503----
ErythritolErythritolME391504----
EthanolamineEthanolamineME391505----
Ethyl-3-Indole-AcetateEthyl 3-indoleacetateME391506----
Ferulic Acidtrans-Ferulic acidME391507----
FGAMFGAMME391508----
FGARFGARME391509----
GDP-GlucoseGDP-glucoseME391510----
GDP-MannoseGDP-mannoseME391511----
Geranylgeranyl pyrophosphateGeranylgeranyl diphosphateME391512----
GluCySGlu-CysME391513----
GluCyS-SSH-ME391514----
Glutamic AcidGlutamic acidME391515----
GlutamineGlutamineME391516----
Glu-Thr-Val-His-ME391517----
Glyceric acidGlyceric acidME391518----
Glycerol 1-phosphoserineGlycerol 1-phosphoserineME391519----
Glycerylphosphorylethanolaminesn-Glycero-3-phosphoethanolamineME391520----
glycochenodeoxycholic acid 3-glucuronideGlycochenodeoxycholic acid 3-glucuronideME391521----
Glycocholic AcidGlycocholic acidME391522----
Glycosyl -Glutamic Acid-ME391523----
Glycosyl -Glutamine-ME391524----
GMPGMPME391525----
GSHGlutathioneME391526----
GSSGOxidized glutathioneME391527----
GTPGTPME391528----
Guanidinoacetic AcidGuanidoacetic acidME391529----
HCyS-SCy-ME391530----
Hexanoylcarnitine (C6:0)CAR 6:0ME391531----
HistamineHistamineME391532----
HistidineHistidineME391533----
HMG-CoA3-Hydroxy-3-methylglutaryl-CoAME391534----
hydroxyadipic acidHydroxyadipic acidME391535----
Indole-3-Acetamide1H-Indole-3-acetamideME391536----
Indoxyl 1,3-diacetate-ME391537----
InosineInosineME391538----
isobutyrylCarnitineCAR 3:0;2MeME391539----
IsoleucineIsoleucineME391540----
isovaleryl carnitineCAR 4:0;3MeME391541----
KynurenineKynurenineME391542----
Lactobionic AcidLactobionic acidME391543----
L-a-Lysophosphatidylserine-ME391544----
LanthionineLanthionineME391545----
L-DOPADOPAME391546----
Linoleyl carnitineCAR 18:2ME391547----
Lithocholic acid glycine-ME391548----
LysineLysineME391549----
LysoPC(15:0)LPC 15:0ME391550----
LysoPC(16:0)LPC 16:0ME391551----
LysoPC(17:0)LPC 17:0ME391552----
LysoPC(18:0)LPC 18:0ME391553----
LysoPC(18:1)LPC 18:1ME391554----
LysoPC(20:5)LPC 20:5ME391555----
LysoPC(22:0)LPC 22:0ME391556----
LysoPE(16:0)LPE 16:0ME391557----
LysoPE(18:2)LPE 18:2ME391558----
LysoPE(20:3)LPE 20:3ME391559----
LysoPE(20:4)LPE 20:4ME391560----
LysoPE(22:5)LPE 22:5ME391561----
malonylcarnitineCAR DC3:0ME391562----
MelibioseMelibioseME391563----
MethionineS=O-ME391564----
MethyladenineMethyladenineME391565----
Methylmalonic acidMethylmalonic acidME391566----
MethyluridineMethyluridineME391567----
Misoprostol-ME391568----
N1-AcetylspermidineN1-AcetylspermidineME391571----
N(4)-Acetylcytosine-ME391569----
N5-Formyltetrahydrofolate (5-F-THF)-ME391572----
N-AcetylalanineN-AcetylalanineME391573----
N-Acetylaspartic AcidN-Acetylaspartic acidME391574----
N-acetylaspartylglutamateN-Acetyl-Asp-GluME391575----
N-AcetylglutamineN-AcetylglutamineME391576----
N-AcetylmethionineN-AcetylmethionineME391577----
N-Acetylmuramic acidN-Acetylmuramic acidME391578----
N-acetyl-ornithineN-AcetylornithineME391579----
N-AcetylserotoninN-AcetylserotoninME391580----
N-AcetyltryptophanN-Acetyl-tryptophanME391581----
NADNAD+ME391582----
NADHNADHME391583----
NADPNADP+ME391584----
NADPHNADPHME391585----
N-AMIDINO-ASPARTATE (Guanidinosuccinic acid)Guanidinosuccinic acidME391586----
NeopterinNeopterinME391587----
N-FormylglycineN-FormylglycineME391588----
NG-methyl-Arginine-ME391589----
NGNG'-dimethyl-Arginine-ME391590----
Nicotinamide MononucleotideNicotinamide ribotideME391591----
Nicotinamide N-oxideNicotinamide N-oxideME391592----
nicotineNicotineME391593----
nicotinuric acid/Nicotinoylglycine-ME391594----
N-LinoleoylglycineN-linoleoylglycineME391595----
N-MethylnicotinateTrigonellineME391596----
N-MethyltryptamineN-MethyltryptamineME391597----
N',N',N'-Trimethyllysine-ME391570----
Noladin-ME391598----
NormetanephrineNormetanephrineME391599----
Octanoylcarnitine (C8:0)CAR 8:0ME391600----
Oleoylcarnitine (C18:1)CAR 18:1ME391601----
O-phosphoethanolaminePhosphoethanolamineME391602----
OrnithineOrnithineME391603----
OrotidineOrotidineME391604----
PAF C18-ME391605----
Palmitoylcarnitine (C16:0)CAR 16:0ME391606----
Pantothenic Acid-VB5-ME391607----
PC(14:1)PC 14:1ME391608----
PC(32:0)PC 32:0ME391609----
PC(34:2)PC 34:2ME391610----
PC(34:5)PC 34:5ME391611----
PC(34:6)PC 34:6ME391612----
PC(35:2)PC 35:2ME391613----
PC(36:1)PC 36:1ME391614----
PC(36:4)PC 36:4ME391615----
PC(36:6)PC 36:6ME391616----
PC(37:5)PC 37:5ME391617----
PC(37:6)PC 37:6ME391618----
PC(38:4)PC 38:4ME391619----
PC(42:8)PC 42:8ME391620----
PC(42:9)PC 42:9ME391621----
PC(O-16:0/20:5)PC O-16:0/20:5ME391622----
PE(34:4)PE 34:4ME391623----
PE(36:6)PE 36:6ME391624----
PGP(38:3)PG P-38:3ME391625----
PhenylacetylglycinePhenylacetylglycineME391626----
Phenylethanolamine2-HydroxyphenethylamineME391627----
Phosphatidylinositol 3-phosphate-ME391628----
PhosphocholineCholine phosphateME391629----
PhosphoenolpyruvatePhosphoenolpyruvic acidME391630----
Phosphonoacetic Acid/Acetyl phosphate-ME391631----
Phosphoribosylamine (PRA)-ME391632----
Phosphoric acidPhosphoric acidME391633----
PhylloquinonePhylloquinoneME391634----
PhytosphingosinePhytosphingosineME391635----
PIP(38:4)PI P-38:4ME391636----
ProlineProlineME391637----
Proline betaineProline betaineME391638----
Propionylcarnitine (C3:0)CAR 3:0ME391639----
propionylcholinePropionylcholineME391640----
Propionyl-CoAPropionyl-CoAME391641----
ProtoporphyrinProtoporphyrinME391642----
PS(21:0/14:0)PS 21:0/14:0*ME391643----
PS(34:2)PS 34:2ME391644----
PS(35:1)PS 35:1ME391645----
PS(36:4)PS 36:4ME391646----
PterinPterinME391647----
PutrescinePutrescineME391648----
Pyrazole1H-pyrazoleME391649----
PyridoxalPyridoxalME391650----
Pyridoxamine (Vitamin B6)PyridoxamineME391651----
PyridoxinePyridoxineME391652----
Pyroglutamic Acid/5-oxoprpline-ME391653----
Retinyl PalmitateAll-trans-retinyl palmitateME391654----
Riboflavin (Vitamin B2)RiboflavinME391655----
Rosmarinic AcidRosmarinic acidME391656----
S-(2-succino)cysteine-ME391657----
S-Adenosylmethionine (SAM)S-AdenosylmethionineME391658----
Sarcosine (N-methylglycine)SarcosineME391659----
SerineSerineME391660----
SerotoninSerotoninME391661----
SpermidineSpermidineME391662----
SpermineSpermineME391663----
Sphingomyelin-ME391664----
SphingosineSphingosineME391665----
Stearoylcarnitine (C18:0)CAR 18:0ME391666----
Taurallocholic acid-ME391667----
TaurineTaurineME391668----
TaurodeoxycholateTaurodeoxycholic acidME391669----
Taurolithocholic AcidTaurolithocholic acidME391670----
Tetradecenoylcarnitine (C14:1)CAR 14:1ME391671----
tetrahydrobiopterin (H4B)SapropterinME391672----
Thiamine MonophosphateThiamine monophosphateME391674----
Thiamine (Vitamin B1)ThiamineME391673----
Thioetheramide-PCThioetheramide PCME391675----
Threosone-ME391676----
TrimethylamineTrimethylamineME391677----
Trimethylamine N-oxideTrimethylamine N-oxideME391678----
TryptamineTryptamineME391679----
TryptophanTryptophanME391680----
TyrosineTyrosineME391681----
UDP-N-AcetylgalactosamineUDP-N-acetylgalactosamineME391682----
UDP-N-AcetylglucosamineUDP-N-acetylglucosamineME391683----
UreaUreaME391684----
Urocanic acidUrocanic acidME391685----
Valeric AcidValeric acidME391686----
ValerylcarnitineCAR 5:0ME391687----
XanthineXanthineME391688----
xylulose-5-phosphateXylulose 5-phosphateME391689----


Analysis: Normal phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
10-formyldihydrofolate(10-F-DHF)-ME391691----
1,25-Dihydroxyvitamin D31alpha,25-Dihydroxyvitamin D3ME391690----
12-HEPE12-HEPEME391692----
17beta-estradiol 3-sulfate-ME391693----
1-OleoylglycerolMG 18:1(9Z)/0:0/0:0ME391694----
1-Pyrroline-2-carboxylic acid1-Pyrroline-2-carboxylic acidME391695----
1-Pyrroline-5-carboxylic acid1-Pyrroline-5-carboxylic acidME391696----
2',3'-cAMP-ME391697----
2',3'-cyclic CMP2',3' cyclic CMPME391698----
2-Acetamido-2-Deoxy-beta-glucosylamine-ME391699----
2-Aminoadipic Acidalpha-Aminoadipic acidME391700----
2-Aminobutyric Acid2-Aminobutyric acidME391701----
2-Aminoisobutyric acidAminoisobutyric acidME391702----
2'-DeoxyadenosineDeoxyadenosineME391703----
2'-DeoxyguanosineDeoxyguanosineME391704----
2-DHLA-PAF-ME391705----
2-Hydroxybutyric acid2-Hydroxybutyric acidME391706----
2-Hydroxy-glutaric acid2-Hydroxyglutaric acidME391707----
2-Methylcitric acid2-Methylcitric acidME391708----
2-Oxoadipic AcidOxoadipic acidME391709----
2-Oxoglutaric Acid2-Oxoglutaric acidME391710----
2-Phosphoglyceric acid2-Phosphoglyceric acidME391711----
2-Pyridylacetic acid3-Pyridylacetic acidME391712----
3,4-Dihydroxymandelic Acid3,4-Dihydroxymandelic acidME391713----
3',5'-cAMP-ME391714----
3-Dehydroshikimic Acid3-DehydroshikimateME391715----
3-Hydroxyanthranilic Acid3-Hydroxyanthranilic acidME391716----
3-Hydroxybutyric acid3-Hydroxybutyric acidME391717----
3-Hydroxymethylglutaric Acid3-Hydroxymethylglutaric acidME391718----
3-HydroxypyruvateHydroxypyruvic acidME391719----
3-hydroxytetradecanoyl-CoA-ME391720----
3-Methylcrotonyl CoA3-Methylbut-2-enoyl-CoAME391721----
3-Phospho-D-glycerate3-Phosphoglyceric acidME391722----
3-Phosphoglyceroinositolsn-Glycero-3-phosphoinositolME391723----
3'-Sialyllactose3'-SialyllactoseME391724----
4-Chloro-phenylalanine-ME391725----
4-Hydroxy-2-oxoglutaric acid4-Hydroxy-2-oxoglutaric acidME391726----
4-Hydroxyphenylglycine4-HydroxyphenylglycineME391727----
4-Imidazoleacetic AcidImidazoleacetic acidME391728----
5-Acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME391729----
5'-Deoxyadenosine5'-DeoxyadenosineME391730----
5-formyldihydrofolate(5-F-DHF)-ME391731----
5-Hydroxymethyluracil5-HydroxymethyluracilME391732----
5-Hydroxytryptophan5-Hydroxy-tryptophanME391733----
5-Methylcytidine5-MethylcytidineME391734----
5-Valerolactone5-ValerolactoneME391735----
6-methyltetrahydropterin6-MethyltetrahydropterinME391736----
6-Methylthiopurine6-MethylthiopurineME391737----
6-Phosphogluconic Acid6-Phosphogluconic acidME391738----
8-epi-Prostaglandin F2a15-F2t-IsoPME391739----
Acetoacetyl-CoAAcetoacetyl-CoAME391740----
acetylcysteine-succinated-ME391741----
AdenosineAdenosineME391742----
Adenosine 3',5'-Bisphosphate (PAP)-ME391743----
Adenyl succinicacidAdenylsuccinic acidME391744----
AICARAICARME391745----
AllantoinAllantoinME391746----
AMPAMPME391747----
Arachidonoyl-PAF-ME391748----
Argininosuccinic acidArgininosuccinic acidME391749----
ATPATPME391750----
Benzoic AcidBenzoic acidME391751----
beta-Carboxyglutaric Acid-ME391752----
BetaineBetaineME391753----
Butyric(butanoic) acid-ME391754----
cADP-ribose-ME391755----
CaffeineCaffeineME391756----
CAIRCAIRME391757----
Carbamoyl PhosphateCarbamoylphosphateME391758----
CarnosineCarnosineME391759----
CDP-glucoseCDP-glucoseME391760----
cis-Aconitic acidcis-Aconitic acidME391761----
Citraconic AcidCitraconic acidME391762----
Citramalic acid/2-Methylmalic acid-ME391763----
Citric AcidCitric acidME391764----
CitrullineCitrullineME391765----
CMPF3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME391766----
CoACoenzyme AME391767----
CoA-Glutathione-2+-ME391768----
Coenzyme M-ME391769----
Cyclic GMP-AMP-ME391770----
CySO2H (3-Sulfinoalanine)-ME391771----
Cysteamine-SSH-ME391772----
Cysteic Acid (CySO3H)Cysteic acidME391773----
Cysteineglutathione disulfideS-Glutathionyl-cysteineME391774----
Cysteine-S-sulfonic acidCysteine-S-sulfateME391775----
D-ArabinoseArabinoseME391776----
dATPdATPME391777----
dCDPdCDPME391778----
dCMPdCMPME391779----
dCTPdCTPME391780----
decanoyl CoADecanoyl-CoAME391781----
Dehydroascorbic acidL-Dehydroascorbic acidME391782----
DeoxyriboseDeoxyriboseME391783----
Deoxythymidine triphosphate (dTTP)dTTPME391784----
Deoxyuridine Triphosphate (dUTP)dUTPME391785----
D-ErythroseErythroseME391786----
D-FructoseFructoseME391787----
D-Fructose 1-phosphateFructose 1-phosphateME391788----
D-Fructose 2,6-bisphosphateFructose 2,6-bisphosphateME391789----
D-Fructose 6-phosphateFructose 6-phosphateME391790----
D-GalactoseGalactoseME391791----
D-GlucoseGlucoseME391792----
D-Glucose 6-phosphateGlucose 6-phosphateME391793----
D-Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME391794----
DiacetylDiacetylME391795----
Dihydrobiopterin (BH2)4a-Carbinolamine tetrahydrobiopterinME391796----
Dihydroxyacetone phosphateDihydroxyacetone phosphateME391797----
DimethylglycineDimethylglycineME391798----
D-RiboseRiboseME391799----
D-SorbitolSorbitolME391800----
dTDP-Galactose-ME391801----
dTDP-GlucosedTDP-glucoseME391802----
dTMPdTMPME391803----
Erythrose 4-phosphateErythrose 4-phosphateME391804----
Estradiol-17alphaEstradiol-17alphaME391805----
Estrone 3-sulfateEstrone 3-sulfateME391806----
Ethylmalonic AcidEthylmalonic acidME391807----
Flavin adenine dinucleotide (FAD)FADME391808----
Flavin Mononucleotide (FMN)FMNME391809----
Fumaric AcidFumaric acidME391810----
Galacturonic AcidGalacturonic acidME391811----
GDPGDPME391812----
Geranyl PyrophosphateGeranyl diphosphateME391813----
Glucaric acidGlucaric acidME391814----
Gluconic AcidGluconic acidME391815----
Gluconic LactoneGluconolactoneME391816----
GlucosamineGlucosamineME391817----
Glucosamine 6-SulfateGlucosamine 6-sulfateME391818----
Glucuronic acid/beta-D-Glucopyranuronic acid-ME391819----
GlucuronolactoneGlucuronolactoneME391820----
Glutamate methylester-ME391821----
Glycerol 3-Phosphatesn-Glycero-3-phosphateME391822----
Glycerol-3-phosphocholine-ME391823----
GlycineGlycineME391824----
glycochenodeoxycholate-3-sulfateGlycochenodeoxycholic acid 3-sulfateME391825----
glycogenGlycogenME391826----
Glycolic acidGlycolic acidME391827----
H2SO4-ME391828----
HCySH-succinated-ME391829----
HCy-SS-G-ME391830----
HNO3-ME391831----
Homocitric acidHomocitric acidME391832----
HomoserineHomoserineME391833----
Hydroxycotininetrans-3-HydroxycotinineME391834----
Hydroxyisobutyric AcidHydroxyisobutyric acidME391835----
HypotaurineHypotaurineME391836----
HypoxanthineHypoxanthineME391837----
Inosine 5'-monophosphate (IMP)IMPME391838----
Inosine diphosphate (IDP)IDPME391839----
Inosine Triphosphate (ITP)ITPME391840----
inositol cyclic phosphateInositol cyclic phosphateME391841----
iso-butylmethylXanthine-ME391842----
iso-Butyryl-CoAIsobutyryl-CoAME391843----
Isocitric AcidIsocitric acidME391844----
Isonicotinylglycine-ME391845----
Iso-ValeraldehydeIso-ValeraldehydeME391846----
Lactic AcidLactic acidME391847----
LactoseLactoseME391848----
LeucineLeucineME391849----
L-Glutamyl-taurine-ME391850----
Lipoic AcidLipoic acidME391851----
L-RhamnoseRhamnoseME391852----
LumichromeLumichromeME391853----
LysoPC(20:1)LPC 20:1ME391854----
LysoPE(18:3)LPE 18:3ME391855----
Lys-Tyr-LysLys-Tyr-LysME391856----
Maleic acidMaleic acidME391857----
MaleimideMaleimideME391858----
Malic AcidMalic acidME391859----
MalondialdehydeMalondialdehydeME391860----
MethionineMethionineME391861----
MethyladenosineMethyladenosineME391865----
Methyl beta-D-galactosideMethyl beta-D-galactosideME391862----
Methylglyoxal/pyruvaldehyde-ME391866----
Methyl JasmonateMethyl jasmonateME391863----
Methyl Vanillic Acid-ME391864----
Mevalonic AcidMevalonic acidME391867----
mono-Methylglutaric AcidMonomethyl glutaric acidME391868----
myo-InositolMyo-inositolME391869----
Myoinositol-methyl-phosphate-ME391870----
N6-Methyl-L-lysineN(6)-MethyllysineME391871----
N-AcetylasparagineN-AcetylasparagineME391872----
N-AcetylglucosamineN-Acetyl-D-glucosamineME391873----
N-Acetylglucosamine-1-phosphateN-Acetyl-D-glucosamine 1-phosphateME391874----
N-Acetylglutamic AcidN-Acetylglutamic acidME391875----
N-AcetylglycineN-AcetylglycineME391876----
N-AcetyllysineN(2)-AcetyllysineME391877----
N-Acetylneuraminic AcidN-Acetylneuraminic acidME391878----
N-carbamoylaspartic acid/ureidosuccinic acid-ME391879----
N-FormylmethionineN-FormylmethionineME391880----
NitrotyrosineNitrotyrosineME391881----
N-Methylglutamic AcidN-Methyl-glutamic acidME391882----
N-Methyl-L-alanineN-MethylalanineME391883----
N-OLEOYL-D-SPHINGOMYELIN-ME391884----
Noradrenaline sulfate/Norepinephrine sulfate-ME391885----
N-PalmitoylsphingomyelinSM 18:1;O2/16:0ME391886----
O-AcetylserineO-AcetylserineME391887----
Octulose-8-phosphateOctulose 8-phosphateME391888----
Oleic AcidOleic acidME391889----
Ophthalmic AcidOphthalmic acidME391890----
Orotidine-5-monophosphate-ME391891----
Orthanilic Acid2-Aminobenzenesulfonic acidME391892----
O-Succinylhomoserineo-SuccinylhomoserineME391893----
Oxalic AcidOxalic acidME391894----
Oxaloacetic AcidOxaloacetic acidME391895----
PC(35:4)PC 35:4ME391896----
PC(38:6)PC 38:6ME391897----
PE(36:4)PE 36:4ME391898----
PhenylalaninePhenylalanineME391899----
Phenylpyruvic AcidPhenylpyruvic acidME391900----
PI(32:1)PI 32:1ME391902----
PI (38:4)PI 38:4ME391901----
Pipecolinic AcidPipecolic acidME391903----
PS(16:0)PS 16:0ME391904----
PS(32:1)PS 32:1ME391905----
PurinePurineME391906----
Pyridoxal 5-PhosphatePyridoxal 5'-phosphateME391907----
PyrophosphatePyrophosphateME391908----
Pyrrole-2-carboxylic AcidPyrrole-2-carboxylic acidME391909----
PyruvatePyruvic acidME391910----
QuinolineQuinolineME391911----
Quinolinic acidQuinolinic acidME391912----
RaffinoseRaffinoseME391913----
Ribose 5-phosphateRibose 5-phosphateME391914----
Ribulose 5-phosphateRibulose 5-phosphateME391915----
SaccharopineSaccharopineME391916----
S-AdenosylhomocysteineS-AdenosylhomocysteineME391917----
SAICARSAICARME391918----
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME391919----
S-formylglutathioneS-FormylglutathioneME391920----
S-LactoylglutathioneS-LactoylglutathioneME391921----
S-MethylcysteineMethylcysteineME391922----
StachyoseStachyoseME391923----
Suberic AcidSuberic acidME391924----
SuccinateSuccinic acidME391925----
Succinic anhydrideSuccinic anhydrideME391926----
Succinic SemialdehydeSuccinic acid semialdehydeME391927----
SuccinoadenosineSuccinyladenosineME391928----
Succinyl CoASuccinyl-CoAME391929----
SucroseSucroseME391930----
Tetracosahexaenoic acidTetracosahexaenoic acidME391931----
TetrahydrocortisoneTetrahydrocortisoneME391932----
TheophyllineTheophyllineME391933----
Thiamine pyrophosphateThiamine diphosphateME391934----
ThreonineThreonineME391935----
ThymineThymineME391936----
trans-4-Hydroxyprolinetrans-4-HydroxyprolineME391937----
UDP-GalactoseUDP-galactoseME391938----
UDP-GlucoseUDP-glucoseME391939----
UDP-Glucuronic acidUDP-glucuronic acidME391940----
UracilUracilME391941----
Uracil 5-Carboxylic AcidUracil-5-carboxylic acidME391942----
Uric acidUric acidME391943----
Uridine diphosphate (UDP)UDPME391944----
Uridine monophosphate (UMP)UMPME391945----
Ursodeoxycholic acid 3-sulfateUrsodeoxycholic acid 3-sulfateME391946----
UTPUTPME391947----
ValineValineME391948----
XanthosineXanthosineME391949----
Xanthosine 5'-Monophosphate (XMP)XMPME391950----


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
10-Hydroxydecanoate10-Hydroxydecanoic acidME391955----
11-Dehydrocorticosterone11-DehydrocorticosteroneME391956----
11-Dodecenoic acid-ME391957----
1,2-Didecanoyl-glycerol (10:0)-ME391951----
1,2-Dimyristoyl-sn-glycero-3-phosphate-ME391952----
1,2-Dioctanoyl-SN-glycerol-ME391953----
12-Heneicosenoic acid-ME391958----
12-Tridecenoic acid-ME391959----
13,16-Docosadienoic acid13,16-Docosadienoic acidME391960----
1,3-Diaminopropane1,3-DiaminopropaneME391954----
14-Tricosenoic acid-ME391961----
1-Hexadecyl-2-methylglycero-3 PC-ME391962----
2,3-Diaminopropionic acid2,3-Diaminopropionic acidME391963----
25-Hydroxycholesterol25-HydroxycholesterolME391964----
2-Hydroxymyristic acid2-Hydroxymyristic acidME391965----
2-Hydroxypyridine2-HydroxypyridineME391966----
2-linoleoyl glycerolMG 18:2(9Z,12Z)ME391967----
2'-O-Methylinosine-ME391968----
3-Deoxyvitamin D33-Deoxyvitamin D3ME391969----
3-oxo-dodecanoyl-CoA3-Oxolauroyl-CoAME391970----
3-oxotetradecanoyl-CoA3-Oxotetradecanoyl-CoAME391971----
4-Hydroxybenzoic Acid4-Hydroxybenzoic acidME391972----
4-hydroxynonenal4-HydroxynonenalME391973----
4-Oxatetradecanoic acid-ME391974----
4-Pyridoxic Acid4-Pyridoxic acidME391975----
5,6-DihydrouracilDihydrouracilME391976----
5,6-dihydrouridine5,6-DihydrouridineME391977----
5-Methylthioadenosine5'-MethylthioadenosineME391978----
6-Hydroxynicotinate6-Hydroxynicotinic acidME391979----
6-Keto-prostaglandin F1a6-Keto-PGF1alphaME391980----
7-Dehydrocholesterol7-DehydrocholesterolME391981----
8-iso Prostaglandin F2Î-ME391982----
8-Isoprostane8-IsoprostaneME391983----
acetylCoAAcetyl-CoAME391984----
Acetyl-farnesyl-cysteineAcetyl-farnesyl-cysteineME391985----
AcetylputrescineN-AcetylputrescineME391986----
Adrenic acid (22:4 n-6)Adrenic acidME391987----
AdrenosteroneAdrenosteroneME391988----
Adrenoyl ethanolamide/Anandamide (22:4,n-6)-ME391989----
AesculetinAesculetinME391990----
AGC (N-Acetyl-S-geranyl-L-cysteine)-ME391991----
AGGC (N-Acetyl-S-geranylgeranyl-L-cysteine )-ME391992----
Anandamide (20:2, n-6)Eicosadienoyl-EAME391993----
Anandamide (20:3,n-6)Arachidonoyl-EAME391994----
Anthranilic Acid2-Aminobenzoic acidME391995----
ArachidonamideArachidonoyl amineME391996----
ArachidonoylglycineN-Arachidonoyl glycineME391997----
Ascorbyl Palminate-ME391998----
C2 CeramideCer 18:1;O2/2:0ME391999----
C2 Dihydroceramide-ME392000----
C8 CeramideCer 18:1;O2/8:0ME392001----
C8 Ceramine-ME392002----
C8 DihydroceramideCer 18:0;O2/8:0ME392003----
Capric Acid/Decanoic Acid-ME392004----
CarvedilolCarvedilolME392005----
Cholic AcidCholic acidME392006----
Cinchonic Acid-ME392007----
CMP-N-acetylneuraminic acidCMP-N-acetylneuraminic acidME392008----
Cortexolone11-DeoxycortisolME392009----
CorticosteroneCorticosteroneME392010----
CortisoneCortisoneME392011----
CySH-ME392012----
CySSH-ME392013----
CySSSH-ME392014----
DehydroepiandrosteroneDehydroepiandrosteroneME392015----
Deoxycholic acidDeoxycholic acidME392016----
Deoxycorticosterone AcetateDeoxycorticosterone acetateME392017----
DeoxyuridineDeoxyuridineME392018----
Dihydrocortisone-ME392019----
Dihydroorotic AcidDihydroorotic acidME392020----
DocebenoneDocebenoneME392021----
Docosatrienoic acid (22:3 n-3)Docosatrienoic acidME392022----
Erucic Acidcis-Erucic acidME392023----
EstroneEstroneME392024----
folate-(Glu)1-ME392025----
folate-(Glu)2-ME392026----
gamma-Linolenic Acidgamma-Linolenic acidME392027----
Glucosaminic AcidGlucosaminic acidME392028----
glycochenodeoxycholateGlycochenodeoxycholic acidME392029----
GossypolGossypolME392030----
GuanineGuanineME392031----
GuanosineGuanosineME392032----
H2S-ME392033----
H2S2-ME392034----
H2S3-ME392035----
HCySH-ME392036----
Heneicosanoic acidHeneicosylic acidME392037----
Heptadecanoic AcidMargaric acidME392038----
heptanoic acidHeptylic acidME392039----
Hippuric AcidHippuric acidME392040----
HistidinolL-HistidinolME392041----
Hydrocortisone AcetateCortisol 21-acetateME392042----
Kynurenic AcidKynurenic acidME392043----
Lauric AcidLauric acidME392044----
Leukotriene C4LTC4ME392045----
Leukotriene D4LTD4ME392046----
Lignoceric AcidLignoceric acidME392047----
LinoleamideLinoleamideME392048----
LipoamideLipoamideME392049----
Lithocholic AcidLithocholic acidME392050----
Lyso-PAF C16LPC O-16:0ME392051----
LysoPC(14:0)LPC 14:0ME392052----
LysoPC(16:1)LPC 16:1ME392053----
LysoPC(18:2)LPC 18:2ME392054----
LysoPC(18:3)LPC 18:3ME392055----
LysoPC(20:3)LPC 20:3ME392056----
LysoPE(18:0)LPE 18:0ME392057----
LysoPE(18:1)LPE 18:1ME392058----
MelatoninMelatoninME392059----
Methoprene acid-ME392060----
Methyluric acidMethyluric acidME392061----
Myristelaidic acid-ME392062----
Myristic AcidMyristic acidME392063----
N1-AcetylspermineN1-AcetylspermineME392065----
N1,N8-Diacetylspermine-ME392064----
N-acetylcysteineN-AcetylcysteineME392066----
Nervonic AcidNervonic acidME392067----
N-FormylkynurenineN-Formyl-L-kynurenineME392068----
NicotinamideNiacinamideME392069----
N-Octanoyl-N-methylglucamine-ME392070----
N-Oleoyl-D-sphingosine-ME392071----
Nonanoic AcidPelargonic acidME392072----
NonanoylcarnitineCAR 9:0ME392073----
Nordihydroguaiaretic acidNordihydroguaiaretic AcidME392074----
Octenoylcarnitin (C8:1)-ME392075----
Oleamide/9,10-Octadecenoamide-ME392076----
Oleoyl ethanolamideOleoyl-EAME392077----
Oleyl Anilide-ME392078----
O-PhosphoserinePhosphoserineME392079----
PAF C18:1-ME392080----
Palmitelaidic AcidPalmitelaidic acidME392081----
Palmitoleic AcidPalmitoleic acidME392082----
Palmitoyl ethanolamidePalmitoyl-EAME392083----
pantetheinePantetheineME392084----
PC(28:0)PC 28:0ME392085----
PE(16:0)PE 16:0ME392086----
PhosphocreatinePhosphocreatineME392087----
Phosphorylcholine oleoyloxyethyl ester-ME392088----
PiceatannolPiceatannolME392089----
Procysteine-ME392090----
Prostaglandin E2PGE2ME392091----
Quinaldic AcidQuinaldic acidME392092----
Quinic AcidQuinic acidME392093----
Retinol (Vitamin A)RetinolME392094----
Ricinoleic acidRicinoleic acidME392095----
S2O32--ME392096----
S-Farnesyl-L-cysteine-ME392097----
S-HexylglutathioneS-Hexyl-glutathioneME392098----
Sphinganine/Dihydrosphingosine-ME392099----
Sphingosylphosphoryl cholineSphingosine-1-phosphocholineME392100----
SuccinylcarnitineCAR DC4:0ME392101----
Sulfolithocholic acidLithocholic acid sulfateME392102----
Taurochenodesoxycholic acidTaurochenodeoxycholic acidME392103----
Taurocholic AcidTaurocholic acidME392104----
Tetradecadienoylcarnitine (C14:2)CAR 14:2ME392105----
TG(60:8)TG 60:8ME392106----
thiopyruvate-ME392107----
ThymidineThymidineME392108----
Tridecanoic acidTridecylic acidME392109----
TryptophanamideTryptophanamideME392110----
Undecylenic acid10-Hendecenoic acidME392111----
UridineUridineME392112----
Vanillylmandelic AcidVanillylmandelic acidME392113----
Xanthurenic AcidXanthurenic acidME392114----


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
12-Hydroxydodecanoic Acid12-Hydroxy lauric acidME392115----
3-hydroxyisovaleric acid3-Hydroxyisovaleric acidME392116----
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME392117----
4-Hydroxyphenyllactic Acid4-Hydroxyphenyllactic acidME392118----
4-Ketoretinoic Acid-ME392119----
7-methylguanine7-MethylguanineME392120----
Acetoacetic acidAcetoacetic acidME392121----
Arachidic AcidArachidic acidME392122----
Arachidonic acid (20:4 n-6)Arachidonic acidME392123----
Azelaic AcidAzelaic acidME392124----
Behenic acidBehenic acidME392125----
bilirubinBilirubinME392126----
C10 Ceramide-ME392127----
C12 CeramideCer 18:1;O2/12:0ME392128----
Caffeic AcidCaffeic acidME392129----
Carnosic acid-ME392130----
Cholesterol sulfateCholesterol sulfateME392131----
CortisolCortisolME392132----
cortisol 21-sulfateCortisol 21-sulfateME392133----
Dehydroisoandrosterone 3-sulfateDehydroepiandrosterone sulfateME392134----
Dioctyl PhthalateDioctyl phthalateME392135----
Docosahexaenoic Acid (22:6 n-3)Docosahexaenoic acidME392136----
Docosapentaenoic acidDocosapentaenoic acidME392137----
Eicosadienoic acid (20:2 n-6)11Z,14Z-Eicosadienoic acidME392138----
Eicosapentaenoic acid (20:5 n-3)EPAME392139----
Eicosatrienoic acid (20:3 n-3)Eicosatrienoic acidME392140----
Eicosenoic acidEicosenoic acidME392141----
Elaidic AcidElaidic acidME392142----
ErgocalciferolVitamin D2ME392143----
Folic acidFolic acidME392144----
Glutaric AcidGlutaric acidME392145----
Linoleic acidLinoleic acidME392146----
Linolelaidic acid-ME392147----
LysoPC(18:4)LPC 18:4ME392148----
N-AcetylleucineN-AcetylleucineME392149----
Nonadecanoic acidNonadecylic acidME392150----
Palmitic AcidPalmitic acidME392151----
Pentadecanoic acidPentadecylic acidME392152----
Phenylacetic AcidPhenylacetic acidME392153----
Probucol-ME392154----
Retinoic AcidRetinoic acidME392155----
SO32--ME392156----
Stearic AcidStearic acidME392157----
Stearidonic acidStearidonic acidME392158----
Vaccenic Acidcis-Vaccenic acidME392159----


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