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Analysis: Parallel 2DLC-MS NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
12-Aminododecanoic acid12-Aminododecanoic acidME368384----
13C 2-Aminobutyric acid2-Aminobutyric acidME368387----
13C 3-Hydroxypyridine3-HydroxypyridineME368389----
13C 3-Phenyllactic acidPhenyllactic acidME368390----
13C 4-Guanidinobutyric acid4-Guanidinobutanoic acidME368391----
13C 5-Aminovaleric acid5-Aminopentanoic acidME368393----
13C 5-Aminovaleric acid_analog-ME368394----
13C 5-CMPCMPME368395----
13C 5-Hydroxytryptophan5-Hydroxy-tryptophanME368396----
13C AcetylcholineAcetylcholineME368398----
13C Acetyl-L-carnitineCAR 2:0ME368397----
13C AdenineAdenineME368399----
13C AdenosineAdenosineME368400----
13C Adenosine 5'-monophosphateAMPME368401----
13C Adipic acidAdipic acidME368402----
13C AdonitolRibitolME368403----
13C AlanineAlanineME368404----
13C Alanine_analog-ME368405----
13C alpha-Amino-n-butyric acid2-Aminobutyric acidME368406----
13C alpha-D-Glucose1-phosphate_analog-ME368407----
13C alpha-Glycerol phosphate-ME368408----
13C alpha-Ketoglutarate2-Oxoglutaric acidME368409----
13C ArginineArginineME368410----
13C AsparagineAsparagineME368411----
13C Aspartic acidAspartic acidME368412----
13C Aspartic AcidAspartic acidME368413----
13C Azelaic acidAzelaic acidME368414----
13C Benzoic acidBenzoic acidME368415----
13C Betain-ME368416----
13C BetaineBetaineME368417----
13C Betaine_analog-ME368418----
13C CarnitineCarnitineME368419----
13C CholineCholineME368420----
13C cis-Aconitatecis-Aconitic acidME368421----
13C cis-Aconitic acidcis-Aconitic acidME368422----
13C Citraconic acidCitraconic acidME368423----
13C CitrateCitric acidME368424----
13C Citric acidCitric acidME368425----
13C CitrullineCitrullineME368426----
13C Coenzyme Q1Ubiquinone-1ME368427----
13C CreatineCreatineME368428----
13C CreatinineCreatinineME368429----
13C CystathionineCystathionineME368430----
13C CystineCystineME368431----
13C D-Fructose-1,6-Bisphosphate (F1,6BP)Fructose 1,6-bisphosphateME368433----
13C D-Fructose-1,6-Bisphosphate (F1,6BP)_analog-ME368434----
13C D-Fructose-6-Phosphate (F6P)_analog_1-ME368435----
13C D-Fructose-6-Phosphate (F6P)_analog_2-ME368436----
13C D-Glucose-6-Phosphate (G6P)Glucose 6-phosphateME368437----
13C D-Glucose-6-Phosphate(G6P)_analog-ME368438----
13C D-Glucose (Glc)_analogGlucoseME368439----
13C DL-Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME368441----
13C DL-p-Hydroxyphenyllactic acidHydroxyphenyllactic acidME368443----
13C DL-β-Leucine-ME368442----
13C D-(+)-Malic acidD-Malic acidME368432----
13C D-Ribulose-5-phosphateRibulose 5-phosphateME368440----
13C Eicosapentaenoic acidEicosapentaenoic acidME368444----
13C Eicosapentaenoic acid (EPA)EPAME368445----
13C Folic acidFolic acidME368446----
13C FructoseFructoseME368447----
13C Fructose_analog_1-ME368448----
13C Fructose_analog_2-ME368449----
13C G (Guanosine)GlycineME368450----
13C Gluconic acidGluconic acidME368451----
13C GlucoseGlucoseME368452----
13C Glutamic acidGlutamic acidME368453----
13C GlutamineGlutamineME368454----
13C Glutaric acidGlutaric acidME368455----
13C Glutaryl-L-carnitineCAR DC5:0ME368456----
13C GlutathioneGlutathioneME368457----
13C Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME368458----
13C GuaiacolGuaiacolME368459----
13C GuanineGuanineME368460----
13C GuanosineGuanosineME368461----
13C HistamineHistamineME368462----
13C HistidineHistidineME368463----
13C Hydroxybutyric acid_analog_01-ME368386----
13C Hydroxybutyric acid_analog_02-ME368388----
13C HypoxanthineHypoxanthineME368464----
13C Hypoxanthine_analog-ME368465----
13C α-D-Glucose-1,6-bisphosphate-ME368466----
13C InosineInosineME368467----
13C IsocitrateIsocitric acidME368468----
13C IsoleucineIsoleucineME368469----
13C Itaconic acidItaconic acidME368470----
13C LactateLactic acidME368479----
13C L-alpha-Aminoadipic acid-ME368472----
13C L-alpha-Amino-n-butyric acid-ME368471----
13C LeucineLeucineME368480----
13C Leucine_analog_1-ME368481----
13C Leucine_analog_2-ME368482----
13C Levulinic acidLevulinic acidME368483----
13C L-Glutathione oxidizedGlutathioneME368474----
13C L-Glutathione (reduced)GlutathioneME368473----
13C Linolenic acidOctadecatrienoic acidME368484----
13C L-Pyroglutamic acidPyroglutamic acidME368476----
13C L-Pyroglutamic acid_analog_1-ME368392----
13C L-Pyroglutamic acid_analog_2-ME368477----
13C L-Threonic acidThreonic acidME368478----
13C LysineLysineME368485----
13C MalateMalic acidME368486----
13C Malic acidMalic acidME368487----
13C MannoseMannoseME368488----
13C MethionineMethionineME368489----
13C Methionine sulfoxideMethionine sulfoxideME368490----
13C MethylguanosineMethylguanosineME368496----
13C N1-AcetylspermineN1-AcetylspermineME368495----
13C N3,N4-Dimethyl-L-arginine-ME368497----
13C N6-Acetyl-L-lysineN6-AcetyllysineME368498----
13C N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME368499----
13C N8-AcetylspermidineN8-AcetylspermidineME368500----
13C N-Acetyl-DL-glutamic acidN-Acetylglutamic acidME368491----
13C N-Acetyl-L-glutamic acidN-Acetyl-mannosamineME368492----
13C N-Acetylneuraminic acidN-Acetylneuraminic acidME368493----
13C NiacinamideNiacinamideME368501----
13C NicotinamideNiacinamideME368502----
13C N-IsovalerylglycineIsovalerylglycineME368494----
13C O-AcetylserineO-AcetylserineME368503----
13C OleamideOleamideME368505----
13C O-PhosphoethanolaminePhosphoethanolamineME368504----
13C OrnithineOrnithineME368506----
13C Pantothenic acidPantothenic acidME368507----
13C PhenylalaninePhenylalanineME368508----
13C Phenylpyruvic AcidPhenylpyruvic acidME368509----
13C Pinolenic AcidPinolenic acidME368510----
13C ProlineProlineME368511----
13C Proline_analog-ME368475----
13C PropionylcarnitineCAR 3:0ME368512----
13C PyridoxalPyridoxalME368513----
13C PyridoxinePyridoxineME368514----
13C Pyroglutamic acidPyroglutamic acidME368515----
13C PyruvatePyruvic acidME368516----
13C (R)-2-Hydroxybutyric acid2-Hydroxybutyric acidME368385----
13C RiboseRiboseME368517----
13C Salicylic acidSalicylic acidME368518----
13C SalsolinolSalsolinolME368519----
13C SarcosineSarcosineME368520----
13C SerineSerineME368521----
13C SorbitolSorbitolME368522----
13C SpermidineSpermidineME368523----
13C SpermineSpermineME368524----
13C SuccinateSuccinic acidME368525----
13C Succinate_analog-ME368526----
13C Succinic acidSuccinic acidME368527----
13C SucroseSucroseME368528----
13C TaurineTaurineME368529----
13C ThiamineThiamineME368530----
13C ThreonineThreonineME368531----
13C trans-Ferulic acidtrans-Ferulic acidME368532----
13C TryptophanTryptophanME368533----
13C TyrosineTyrosineME368534----
13C UDP-GlucoseUDP-glucoseME368535----
13C UDP-N-acetylglucosamineUDP-N-acetylglucosamineME368536----
13C UreaUreaME368537----
13C Uric acidUric acidME368538----
13C UridineUridineME368539----
13C Urocanic acidUrocanic acidME368540----
13C Urocanic acid_analog-ME368541----
13C Vaccenic Acidcis-Vaccenic acidME368542----
13C ValineValineME368543----
13C XanthineXanthineME368544----
13C Y (Pseudouridine)TyrosineME368545----
1-Methyl-L-histidine1-MethylhistidineME368383----
2-Aminoadipic acidalpha-Aminoadipic acidME368547----
2-Aminoadipic acid_analog-ME368548----
2-Hydroxybutyric acid2-Hydroxybutyric acidME368550----
2-Hydroxycinnamic acidtrans-o-Coumaric acidME368551----
2-Hydroxyvaleric acid2-Hydroxyvaleric acidME368552----
2-Ketobutyric acid3-Methyl pyruvic acidME368553----
2'-O-Methyladenosine2'-O-MethyladenosineME368546----
3-Hydroxybutyric acid3-Hydroxybutyric acidME368557----
3-Hydroxypyridine3-HydroxypyridineME368559----
3-Methyl-L-histidine3-MethylhistidineME368560----
3-Phenyllactic acidPhenyllactic acidME368561----
3-Ureidopropionic acidUreidopropionic acidME368562----
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME368563----
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME368564----
4-Guanidinobutyric acid4-Guanidinobutanoic acidME368565----
4-Methyl-2-oxovaleric acidKetoleucineME368566----
4-Methyl-5-thiazoleethanol5-(2-Hydroxyethyl)-4-methylthiazoleME368567----
4-Nitrophenol4-NitrophenolME368568----
4-Oxoproline4-Oxo-prolineME368569----
4-Oxoproline_analog-ME368570----
5-Aminovaleric acid5-Aminopentanoic acidME368571----
5-Aminovaleric acid_analog-ME368572----
5-CMP-ME368573----
5-Hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME368574----
5-Hydroxytryptophan5-Hydroxy-tryptophanME368575----
6-Hydroxycaproic acid6-Hydroxycaproic acidME368576----
AcetylcholineAcetylcholineME368578----
Acetyl-L-carnitineCAR 2:0ME368577----
Acetyl-L-glutamic acid-ME368710----
AdenineAdenineME368579----
AdenosineAdenosineME368580----
Adenosine 5'-monophosphateAMPME368581----
Adipic acidAdipic acidME368582----
AdonitolRibitolME368583----
AlanineAlanineME368584----
Alanine_analog-ME368585----
alpha-Aminoadipic acidalpha-Aminoadipic acidME368587----
alpha-Amino-n-butyric acid2-Aminobutyric acidME368586----
alpha-Glycerol phosphate-ME368588----
alpha-Ketoglutarate2-Oxoglutaric acidME368589----
alpha-Ketoglutaric acid2-Oxoglutaric acidME368590----
Aminobutanoic acidAminobutyric acidME368554----
Aminobutanoic acid_analog_1-ME368555----
Aminobutanoic acid_analog_2-ME368556----
AminobutyricacidAminobutyric acidME368549----
Aminoisobutyric acidAminoisobutyric acidME368632----
Arachidonic acid (ARA)Arachidonic acidME368591----
ArginineArginineME368592----
AsparagineAsparagineME368593----
Aspartic acidAspartic acidME368594----
Aspartic AcidAspartic acidME368595----
Azelaic acidAzelaic acidME368596----
Benzoic acidBenzoic acidME368597----
Betain-ME368598----
BetaineBetaineME368599----
Betaine_analog-ME368600----
CaffeineCaffeineME368601----
CarnitineCarnitineME368602----
CarvoneCarvoneME368603----
CholineCholineME368604----
cis-Aconitatecis-Aconitic acidME368605----
cis-Aconitic acidcis-Aconitic acidME368606----
Citraconic acidCitraconic acidME368607----
CitrateCitric acidME368608----
Citric acidCitric acidME368609----
CitrullineCitrullineME368610----
Coenzyme Q1Ubiquinone-1ME368611----
CreatineCreatineME368612----
CreatinineCreatinineME368613----
CystathionineCystathionineME368614----
CysteineCysteineME368615----
CystineCystineME368616----
Cystine_analog-ME368617----
CytidineCytidineME368618----
CytosineCytosineME368619----
Decanoic acidCapric acidME368633----
D-Fructose-1,6-Bisphosphate (F1,6BP)Fructose 1,6-bisphosphateME368623----
D-Fructose-1,6-Bisphosphate (F1,6BP)_analog-ME368624----
D-Fructose-Phosphate_analog_1-ME368625----
D-Fructose-Phosphate_analog_2-ME368626----
D-Glucose-6-Phosphate (G6P)Glucose 6-phosphateME368627----
D-Glucose-6-Phosphate (G6P)_analog-ME368628----
D-Glyceraldehyde3-Phosphate(GADP)-ME368630----
DihydrothymineDihydrothymineME368634----
DL-Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME368635----
DL-β-Leucine-ME368636----
DL-p-Hydroxyphenyllactic acidHydroxyphenyllactic acidME368637----
DL-StachydrineStachydrineME368638----
D-(+)-Malic acidD-Malic acidME368622----
D-(-)-MannitolMannitolME368620----
Docosahexaenoic acid (DHA, FAC22:6n3)DHAME368639----
Dodecanedioic acidDodecanedioic acidME368640----
D-(-)-RiboseRiboseME368621----
D-Ribulose-5-phosphateRibulose 5-phosphateME368631----
Eicosapentaenoic acid (EPA)EPAME368641----
EstroneEstroneME368642----
EthanolamineEthanolamineME368643----
Folic acidFolic acidME368644----
FructoseFructoseME368645----
Fructose_analog_1-ME368646----
Fructose_analog-2-ME368647----
FumarateFumaric acidME368648----
Fumarate_analog_1-ME368649----
Fumaric acidFumaric acidME368650----
gamma-Aminobutyric acidgamma-Aminobutyric acidME368653----
gamma-Amino-n-butyricacidgamma-Aminobutyric acidME368652----
G (Guanosine)GlycineME368651----
Gluconic acidGluconic acidME368654----
GlucoseGlucoseME368655----
Glucose 1-phosphateGlucose 1-phosphateME368657----
Glucose-6-phosphateGlucose 6-phosphateME368656----
Glucose_analog-ME368629----
Glutamic acidGlutamic acidME368658----
GlutamineGlutamineME368659----
Glutaric acidGlutaric acidME368660----
Glutaryl-L-carnitineCAR DC5:0ME368661----
GlutathioneGlutathioneME368662----
Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME368663----
GlycineGlycineME368664----
GuaiacolGuaiacolME368665----
GuanineGuanineME368666----
GuanosineGuanosineME368667----
Hexanoic Acid (FAC6:0)Caproic acidME368668----
HistamineHistamineME368669----
HistidineHistidineME368670----
HODE_analog-ME368378----
Hydroxybutyric acid_analog_1-ME368381----
Hydroxybutyric acid_analog_2-ME368558----
Hydroxy-prolineHydroxyprolineME368770----
HypoxanthineHypoxanthineME368671----
α-D-Glucose-1,6-bisphosphateGlucose 1,6-bisphosphateME368672----
InosineInosineME368673----
Isobutyric acidIsobutyric acidME368674----
IsocitrateIsocitric acidME368675----
IsoleucineIsoleucineME368676----
Isoleucine_analog-ME368677----
Itaconic acidItaconic acidME368678----
LactateLactic acidME368692----
L-alpha-Aminoadipic acid-ME368680----
L-alpha-Amino-n-butyric acid-ME368679----
L(-)-CarnitineCarnitineME368691----
LeucineLeucineME368693----
Leucine_analog_1-ME368694----
Leucine_analog_2-ME368695----
Levulinic acidLevulinic acidME368696----
L-Glutathione oxidizedGlutathioneME368682----
L-Glutathione (reduced)GlutathioneME368681----
LidocaineLidocaineME368697----
Linolenic acidOctadecatrienoic acidME368698----
L-KynurenineKynurenineME368683----
L-Pyroglutamic acidPyroglutamic acidME368685----
L-Pyroglutamic acid_analog-ME368686----
L-Rhamnose_analog-ME368687----
L-Threonic acidThreonic acidME368688----
L-ThreonineThreonineME368689----
L-TryptophanTryptophanME368690----
LysineLysineME368699----
MalateMalic acidME368700----
Maleic acidMaleic acidME368701----
Malic acidMalic acidME368702----
Malonic acidMalonic acidME368703----
MannitolMannitolME368704----
MethionineMethionineME368705----
Methionine sulfoxideMethionine sulfoxideME368706----
MethylguanosineMethylguanosineME368718----
N1-AcetylspermineN1-AcetylspermineME368717----
N3,N4-Dimethyl-L-arginine-ME368719----
N6-Acetyl-L-lysineN6-AcetyllysineME368720----
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME368721----
N8-AcetylspermidineN8-AcetylspermidineME368722----
N-Acetyl-alpha-glucosamine phosphate-ME368707----
N-Acetyl-D-GlucosamineN-Acetyl-D-glucosamineME368708----
N-Acetyl-DL-glutamic acidN-Acetylglutamic acidME368709----
N-Acetyl-GlucosamineN-Acetyl-D-glucosamineME368711----
N-Acetyl-L-glutamic acidN-Acetyl-mannosamineME368712----
N-Acetylneuraminic acidN-Acetylneuraminic acidME368713----
NiacinamideNiacinamideME368723----
NicotinamideNiacinamideME368724----
Nicotinamide adenine dinucleotide phosphate (NADP)NADP+ME368725----
Nicotinic acidNicotinic acidME368726----
N-IsovalerylglycineIsovalerylglycineME368714----
N,N-DimethylsphingosineN,N-DimethylsphingosineME368716----
None Hypoglycin A-ME368727----
N-Phenylacetylglutamine-ME368715----
O-AcetylserineO-AcetylserineME368728----
OleamideOleamideME368732----
O-PhosphoethanolaminePhosphoethanolamineME368729----
O-PhosphorylethanolaminePhosphoethanolamineME368730----
O-Phosphorylethanolamine_analog-ME368731----
OrnithineOrnithineME368733----
Oxalic acidOxalic acidME368734----
Pantothenic acidPantothenic acidME368735----
PhenylalaninePhenylalanineME368736----
Phenylpyruvic AcidPhenylpyruvic acidME368737----
Pinolenic AcidPinolenic acidME368738----
Pipecolic acidPipecolic acidME368739----
Pipecolinic acidPipecolic acidME368740----
Pipecolinic acid_analog-ME368684----
ProlineProlineME368741----
PropionylcarnitineCAR 3:0ME368742----
PutrescinePutrescineME368743----
PyridoxalPyridoxalME368744----
PyridoxinePyridoxineME368745----
Pyroglutamic acid_analog-ME368746----
PyruvatePyruvic acidME368747----
Pyruvic acidPyruvic acidME368748----
(R)-2-Hydroxybutyric acid2-Hydroxybutyric acidME368380----
RiboseRiboseME368749----
(S)-(+)-1,2-Isopropylideneglycerol-ME368382----
S-AdenosylhomocysteineS-AdenosylhomocysteineME368750----
Salicylic acidSalicylic acidME368751----
SalsolinolSalsolinolME368752----
SarcosineSarcosineME368753----
Sarcosine_analog-ME368754----
SerineSerineME368755----
(S) HODE-ME368379----
SorbitolSorbitolME368756----
SpermidineSpermidineME368757----
SpermineSpermineME368758----
Stearic acidStearic acidME368759----
Suberic acidSuberic acidME368760----
SuccinateSuccinic acidME368761----
Succinate_analog-ME368762----
Succinic acidSuccinic acidME368763----
SucroseSucroseME368764----
Tartaric acidTartaric acidME368765----
TaurineTaurineME368766----
ThiamineThiamineME368767----
ThreonineThreonineME368768----
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME368769----
trans-4-Hydroxy-prolinetrans-4-HydroxyprolineME368771----
trans-Ferulic acidtrans-Ferulic acidME368772----
TryptophanTryptophanME368773----
TyrosineTyrosineME368774----
Ubiquinone Q1_analog-ME368775----
UDP-GlucoseUDP-glucoseME368776----
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME368777----
UMPUMPME368778----
UreaUreaME368779----
Uric acidUric acidME368780----
UridineUridineME368781----
Uridine monophosphate (UMP)UMPME368782----
Urocanic acidUrocanic acidME368783----
Urocanic acid_analog-ME368784----
Vaccenic acidcis-Vaccenic acidME368785----
Vaccenic Acidcis-Vaccenic acidME368786----
ValineValineME368787----
XanthineXanthineME368788----
Y (Pseudouridine)TyrosineME368789----


Analysis: Parallel 2DLC-MS POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
12-Aminododecanoic acid12-Aminododecanoic acidME368796----
13C 2-Aminobutyric acid2-Aminobutyric acidME368799----
13C 3-Hydroxypyridine3-HydroxypyridineME368801----
13C 3-Phenyllactic acidPhenyllactic acidME368802----
13C 4-Guanidinobutyric acid4-Guanidinobutanoic acidME368803----
13C 5-Aminovaleric acid5-Aminopentanoic acidME368805----
13C 5-Aminovaleric acid_analog-ME368806----
13C 5-CMPCMPME368807----
13C 5-Hydroxytryptophan5-Hydroxy-tryptophanME368808----
13C AcetylcholineAcetylcholineME368810----
13C Acetyl-L-carnitineCAR 2:0ME368809----
13C AdenineAdenineME368811----
13C AdenosineAdenosineME368812----
13C Adenosine 5'-monophosphateAMPME368813----
13C Adipic acidAdipic acidME368814----
13C AdonitolRibitolME368815----
13C AlanineAlanineME368816----
13C Alanine_analog-ME368817----
13C alpha-Amino-n-butyric acid2-Aminobutyric acidME368818----
13C alpha-D-Glucose1-phosphate_analog-ME368819----
13C alpha-Glycerol phosphate-ME368820----
13C alpha-Ketoglutarate2-Oxoglutaric acidME368821----
13C ArginineArginineME368822----
13C AsparagineAsparagineME368823----
13C Aspartic acidAspartic acidME368824----
13C Aspartic AcidAspartic acidME368825----
13C Azelaic acidAzelaic acidME368826----
13C Benzoic acidBenzoic acidME368827----
13C Betain-ME368828----
13C BetaineBetaineME368829----
13C Betaine_analog-ME368830----
13C CarnitineCarnitineME368831----
13C CholineCholineME368832----
13C cis-Aconitatecis-Aconitic acidME368833----
13C cis-Aconitic acidcis-Aconitic acidME368834----
13C Citraconic acidCitraconic acidME368835----
13C CitrateCitric acidME368836----
13C Citric acidCitric acidME368837----
13C CitrullineCitrullineME368838----
13C Coenzyme Q1Ubiquinone-1ME368839----
13C CreatineCreatineME368840----
13C CreatinineCreatinineME368841----
13C CystathionineCystathionineME368842----
13C CystineCystineME368843----
13C D-Fructose-1,6-Bisphosphate (F1,6BP)Fructose 1,6-bisphosphateME368845----
13C D-Fructose-1,6-Bisphosphate (F1,6BP)_analog-ME368846----
13C D-Fructose-6-Phosphate (F6P)_analog_1-ME368847----
13C D-Fructose-6-Phosphate (F6P)_analog_2-ME368848----
13C D-Glucose-6-Phosphate (G6P)Glucose 6-phosphateME368849----
13C D-Glucose-6-Phosphate(G6P)_analog-ME368850----
13C D-Glucose (Glc)_analogGlucoseME368851----
13C DL-Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME368853----
13C DL-p-Hydroxyphenyllactic acidHydroxyphenyllactic acidME368855----
13C DL-β-Leucine-ME368854----
13C D-(+)-Malic acidD-Malic acidME368844----
13C D-Ribulose-5-phosphateRibulose 5-phosphateME368852----
13C Eicosapentaenoic acidEicosapentaenoic acidME368856----
13C Eicosapentaenoic acid (EPA)EPAME368857----
13C Folic acidFolic acidME368858----
13C FructoseFructoseME368859----
13C Fructose_analog_1-ME368860----
13C Fructose_analog_2-ME368861----
13C G (Guanosine)GlycineME368862----
13C Gluconic acidGluconic acidME368863----
13C GlucoseGlucoseME368864----
13C Glutamic acidGlutamic acidME368865----
13C GlutamineGlutamineME368866----
13C Glutaric acidGlutaric acidME368867----
13C Glutaryl-L-carnitineCAR DC5:0ME368868----
13C GlutathioneGlutathioneME368869----
13C Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME368870----
13C GuaiacolGuaiacolME368871----
13C GuanineGuanineME368872----
13C GuanosineGuanosineME368873----
13C HistamineHistamineME368874----
13C HistidineHistidineME368875----
13C Hydroxybutyric acid_analog_01-ME368798----
13C Hydroxybutyric acid_analog_02-ME368800----
13C HypoxanthineHypoxanthineME368876----
13C Hypoxanthine_analog-ME368877----
13C α-D-Glucose-1,6-bisphosphate-ME368878----
13C InosineInosineME368879----
13C IsocitrateIsocitric acidME368880----
13C IsoleucineIsoleucineME368881----
13C Itaconic acidItaconic acidME368882----
13C LactateLactic acidME368891----
13C L-alpha-Aminoadipic acid-ME368884----
13C L-alpha-Amino-n-butyric acid-ME368883----
13C LeucineLeucineME368892----
13C Leucine_analog_1-ME368893----
13C Leucine_analog_2-ME368894----
13C Levulinic acidLevulinic acidME368895----
13C L-Glutathione oxidizedGlutathioneME368886----
13C L-Glutathione (reduced)GlutathioneME368885----
13C Linolenic acidOctadecatrienoic acidME368896----
13C L-Pyroglutamic acidPyroglutamic acidME368888----
13C L-Pyroglutamic acid_analog_1-ME368804----
13C L-Pyroglutamic acid_analog_2-ME368889----
13C L-Threonic acidThreonic acidME368890----
13C LysineLysineME368897----
13C MalateMalic acidME368898----
13C Malic acidMalic acidME368899----
13C MannoseMannoseME368900----
13C MethionineMethionineME368901----
13C Methionine sulfoxideMethionine sulfoxideME368902----
13C MethylguanosineMethylguanosineME368908----
13C N1-AcetylspermineN1-AcetylspermineME368907----
13C N3,N4-Dimethyl-L-arginine-ME368909----
13C N6-Acetyl-L-lysineN6-AcetyllysineME368910----
13C N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME368911----
13C N8-AcetylspermidineN8-AcetylspermidineME368912----
13C N-Acetyl-DL-glutamic acidN-Acetylglutamic acidME368903----
13C N-Acetyl-L-glutamic acidN-Acetyl-mannosamineME368904----
13C N-Acetylneuraminic acidN-Acetylneuraminic acidME368905----
13C NiacinamideNiacinamideME368913----
13C NicotinamideNiacinamideME368914----
13C N-IsovalerylglycineIsovalerylglycineME368906----
13C O-AcetylserineO-AcetylserineME368915----
13C OleamideOleamideME368917----
13C O-PhosphoethanolaminePhosphoethanolamineME368916----
13C OrnithineOrnithineME368918----
13C Pantothenic acidPantothenic acidME368919----
13C PhenylalaninePhenylalanineME368920----
13C Phenylpyruvic AcidPhenylpyruvic acidME368921----
13C Pinolenic AcidPinolenic acidME368922----
13C ProlineProlineME368923----
13C Proline_analog-ME368887----
13C PropionylcarnitineCAR 3:0ME368924----
13C PyridoxalPyridoxalME368925----
13C PyridoxinePyridoxineME368926----
13C Pyroglutamic acidPyroglutamic acidME368927----
13C PyruvatePyruvic acidME368928----
13C (R)-2-Hydroxybutyric acid2-Hydroxybutyric acidME368797----
13C RiboseRiboseME368929----
13C Salicylic acidSalicylic acidME368930----
13C SalsolinolSalsolinolME368931----
13C SarcosineSarcosineME368932----
13C SerineSerineME368933----
13C SorbitolSorbitolME368934----
13C SpermidineSpermidineME368935----
13C SpermineSpermineME368936----
13C SuccinateSuccinic acidME368937----
13C Succinate_analog-ME368938----
13C Succinic acidSuccinic acidME368939----
13C SucroseSucroseME368940----
13C TaurineTaurineME368941----
13C ThiamineThiamineME368942----
13C ThreonineThreonineME368943----
13C trans-Ferulic acidtrans-Ferulic acidME368944----
13C TryptophanTryptophanME368945----
13C TyrosineTyrosineME368946----
13C UDP-GlucoseUDP-glucoseME368947----
13C UDP-N-acetylglucosamineUDP-N-acetylglucosamineME368948----
13C UreaUreaME368949----
13C Uric acidUric acidME368950----
13C UridineUridineME368951----
13C Urocanic acidUrocanic acidME368952----
13C Urocanic acid_analog-ME368953----
13C Vaccenic Acidcis-Vaccenic acidME368954----
13C ValineValineME368955----
13C XanthineXanthineME368956----
13C Y (Pseudouridine)TyrosineME368957----
1-Methyl-L-histidine1-MethylhistidineME368795----
2-Aminoadipic acidalpha-Aminoadipic acidME368959----
2-Aminoadipic acid_analog-ME368960----
2-Hydroxybutyric acid2-Hydroxybutyric acidME368962----
2-Hydroxycinnamic acidtrans-o-Coumaric acidME368963----
2-Hydroxyvaleric acid2-Hydroxyvaleric acidME368964----
2-Ketobutyric acid3-Methyl pyruvic acidME368965----
2'-O-Methyladenosine2'-O-MethyladenosineME368958----
3-Hydroxybutyric acid3-Hydroxybutyric acidME368969----
3-Hydroxypyridine3-HydroxypyridineME368971----
3-Methyl-L-histidine3-MethylhistidineME368972----
3-Phenyllactic acidPhenyllactic acidME368973----
3-Ureidopropionic acidUreidopropionic acidME368974----
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME368975----
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME368976----
4-Guanidinobutyric acid4-Guanidinobutanoic acidME368977----
4-Methyl-2-oxovaleric acidKetoleucineME368978----
4-Methyl-5-thiazoleethanol5-(2-Hydroxyethyl)-4-methylthiazoleME368979----
4-Nitrophenol4-NitrophenolME368980----
4-Oxoproline4-Oxo-prolineME368981----
4-Oxoproline_analog-ME368982----
5-Aminovaleric acid5-Aminopentanoic acidME368983----
5-Aminovaleric acid_analog-ME368984----
5-CMP-ME368985----
5-Hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME368986----
5-Hydroxytryptophan5-Hydroxy-tryptophanME368987----
6-Hydroxycaproic acid6-Hydroxycaproic acidME368988----
AcetylcholineAcetylcholineME368990----
Acetyl-L-carnitineCAR 2:0ME368989----
Acetyl-L-glutamic acid-ME369122----
AdenineAdenineME368991----
AdenosineAdenosineME368992----
Adenosine 5'-monophosphateAMPME368993----
Adipic acidAdipic acidME368994----
AdonitolRibitolME368995----
AlanineAlanineME368996----
Alanine_analog-ME368997----
alpha-Aminoadipic acidalpha-Aminoadipic acidME368999----
alpha-Amino-n-butyric acid2-Aminobutyric acidME368998----
alpha-Glycerol phosphate-ME369000----
alpha-Ketoglutarate2-Oxoglutaric acidME369001----
alpha-Ketoglutaric acid2-Oxoglutaric acidME369002----
Aminobutanoic acidAminobutyric acidME368966----
Aminobutanoic acid_analog_1-ME368967----
Aminobutanoic acid_analog_2-ME368968----
AminobutyricacidAminobutyric acidME368961----
Aminoisobutyric acidAminoisobutyric acidME369044----
Arachidonic acid (ARA)Arachidonic acidME369003----
ArginineArginineME369004----
AsparagineAsparagineME369005----
Aspartic acidAspartic acidME369006----
Aspartic AcidAspartic acidME369007----
Azelaic acidAzelaic acidME369008----
Benzoic acidBenzoic acidME369009----
Betain-ME369010----
BetaineBetaineME369011----
Betaine_analog-ME369012----
CaffeineCaffeineME369013----
CarnitineCarnitineME369014----
CarvoneCarvoneME369015----
CholineCholineME369016----
cis-Aconitatecis-Aconitic acidME369017----
cis-Aconitic acidcis-Aconitic acidME369018----
Citraconic acidCitraconic acidME369019----
CitrateCitric acidME369020----
Citric acidCitric acidME369021----
CitrullineCitrullineME369022----
Coenzyme Q1Ubiquinone-1ME369023----
CreatineCreatineME369024----
CreatinineCreatinineME369025----
CystathionineCystathionineME369026----
CysteineCysteineME369027----
CystineCystineME369028----
Cystine_analog-ME369029----
CytidineCytidineME369030----
CytosineCytosineME369031----
Decanoic acidCapric acidME369045----
D-Fructose-1,6-Bisphosphate (F1,6BP)Fructose 1,6-bisphosphateME369035----
D-Fructose-1,6-Bisphosphate (F1,6BP)_analog-ME369036----
D-Fructose-Phosphate_analog_1-ME369037----
D-Fructose-Phosphate_analog_2-ME369038----
D-Glucose-6-Phosphate (G6P)Glucose 6-phosphateME369039----
D-Glucose-6-Phosphate (G6P)_analog-ME369040----
D-Glyceraldehyde3-Phosphate(GADP)-ME369042----
DihydrothymineDihydrothymineME369046----
DL-Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME369047----
DL-β-Leucine-ME369048----
DL-p-Hydroxyphenyllactic acidHydroxyphenyllactic acidME369049----
DL-StachydrineStachydrineME369050----
D-(+)-Malic acidD-Malic acidME369034----
D-(-)-MannitolMannitolME369032----
Docosahexaenoic acid (DHA, FAC22:6n3)DHAME369051----
Dodecanedioic acidDodecanedioic acidME369052----
D-(-)-RiboseRiboseME369033----
D-Ribulose-5-phosphateRibulose 5-phosphateME369043----
Eicosapentaenoic acid (EPA)EPAME369053----
EstroneEstroneME369054----
EthanolamineEthanolamineME369055----
Folic acidFolic acidME369056----
FructoseFructoseME369057----
Fructose_analog_1-ME369058----
Fructose_analog-2-ME369059----
FumarateFumaric acidME369060----
Fumarate_analog_1-ME369061----
Fumaric acidFumaric acidME369062----
gamma-Aminobutyric acidgamma-Aminobutyric acidME369065----
gamma-Amino-n-butyricacidgamma-Aminobutyric acidME369064----
G (Guanosine)GlycineME369063----
Gluconic acidGluconic acidME369066----
GlucoseGlucoseME369067----
Glucose 1-phosphateGlucose 1-phosphateME369069----
Glucose-6-phosphateGlucose 6-phosphateME369068----
Glucose_analog-ME369041----
Glutamic acidGlutamic acidME369070----
GlutamineGlutamineME369071----
Glutaric acidGlutaric acidME369072----
Glutaryl-L-carnitineCAR DC5:0ME369073----
GlutathioneGlutathioneME369074----
Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME369075----
GlycineGlycineME369076----
GuaiacolGuaiacolME369077----
GuanineGuanineME369078----
GuanosineGuanosineME369079----
Hexanoic Acid (FAC6:0)Caproic acidME369080----
HistamineHistamineME369081----
HistidineHistidineME369082----
HODE_analog-ME368790----
Hydroxybutyric acid_analog_1-ME368793----
Hydroxybutyric acid_analog_2-ME368970----
Hydroxy-prolineHydroxyprolineME369182----
HypoxanthineHypoxanthineME369083----
α-D-Glucose-1,6-bisphosphateGlucose 1,6-bisphosphateME369084----
InosineInosineME369085----
Isobutyric acidIsobutyric acidME369086----
IsocitrateIsocitric acidME369087----
IsoleucineIsoleucineME369088----
Isoleucine_analog-ME369089----
Itaconic acidItaconic acidME369090----
LactateLactic acidME369104----
L-alpha-Aminoadipic acid-ME369092----
L-alpha-Amino-n-butyric acid-ME369091----
L(-)-CarnitineCarnitineME369103----
LeucineLeucineME369105----
Leucine_analog_1-ME369106----
Leucine_analog_2-ME369107----
Levulinic acidLevulinic acidME369108----
L-Glutathione oxidizedGlutathioneME369094----
L-Glutathione (reduced)GlutathioneME369093----
LidocaineLidocaineME369109----
Linolenic acidOctadecatrienoic acidME369110----
L-KynurenineKynurenineME369095----
L-Pyroglutamic acidPyroglutamic acidME369097----
L-Pyroglutamic acid_analog-ME369098----
L-Rhamnose_analog-ME369099----
L-Threonic acidThreonic acidME369100----
L-ThreonineThreonineME369101----
L-TryptophanTryptophanME369102----
LysineLysineME369111----
MalateMalic acidME369112----
Maleic acidMaleic acidME369113----
Malic acidMalic acidME369114----
Malonic acidMalonic acidME369115----
MannitolMannitolME369116----
MethionineMethionineME369117----
Methionine sulfoxideMethionine sulfoxideME369118----
MethylguanosineMethylguanosineME369130----
N1-AcetylspermineN1-AcetylspermineME369129----
N3,N4-Dimethyl-L-arginine-ME369131----
N6-Acetyl-L-lysineN6-AcetyllysineME369132----
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME369133----
N8-AcetylspermidineN8-AcetylspermidineME369134----
N-Acetyl-alpha-glucosamine phosphate-ME369119----
N-Acetyl-D-GlucosamineN-Acetyl-D-glucosamineME369120----
N-Acetyl-DL-glutamic acidN-Acetylglutamic acidME369121----
N-Acetyl-GlucosamineN-Acetyl-D-glucosamineME369123----
N-Acetyl-L-glutamic acidN-Acetyl-mannosamineME369124----
N-Acetylneuraminic acidN-Acetylneuraminic acidME369125----
NiacinamideNiacinamideME369135----
NicotinamideNiacinamideME369136----
Nicotinamide adenine dinucleotide phosphate (NADP)NADP+ME369137----
Nicotinic acidNicotinic acidME369138----
N-IsovalerylglycineIsovalerylglycineME369126----
N,N-DimethylsphingosineN,N-DimethylsphingosineME369128----
None Hypoglycin A-ME369139----
N-Phenylacetylglutamine-ME369127----
O-AcetylserineO-AcetylserineME369140----
OleamideOleamideME369144----
O-PhosphoethanolaminePhosphoethanolamineME369141----
O-PhosphorylethanolaminePhosphoethanolamineME369142----
O-Phosphorylethanolamine_analog-ME369143----
OrnithineOrnithineME369145----
Oxalic acidOxalic acidME369146----
Pantothenic acidPantothenic acidME369147----
PhenylalaninePhenylalanineME369148----
Phenylpyruvic AcidPhenylpyruvic acidME369149----
Pinolenic AcidPinolenic acidME369150----
Pipecolic acidPipecolic acidME369151----
Pipecolinic acidPipecolic acidME369152----
Pipecolinic acid_analog-ME369096----
ProlineProlineME369153----
PropionylcarnitineCAR 3:0ME369154----
PutrescinePutrescineME369155----
PyridoxalPyridoxalME369156----
PyridoxinePyridoxineME369157----
Pyroglutamic acid_analog-ME369158----
PyruvatePyruvic acidME369159----
Pyruvic acidPyruvic acidME369160----
(R)-2-Hydroxybutyric acid2-Hydroxybutyric acidME368792----
RiboseRiboseME369161----
(S)-(+)-1,2-Isopropylideneglycerol-ME368794----
S-AdenosylhomocysteineS-AdenosylhomocysteineME369162----
Salicylic acidSalicylic acidME369163----
SalsolinolSalsolinolME369164----
SarcosineSarcosineME369165----
Sarcosine_analog-ME369166----
SerineSerineME369167----
(S) HODE-ME368791----
SorbitolSorbitolME369168----
SpermidineSpermidineME369169----
SpermineSpermineME369170----
Stearic acidStearic acidME369171----
Suberic acidSuberic acidME369172----
SuccinateSuccinic acidME369173----
Succinate_analog-ME369174----
Succinic acidSuccinic acidME369175----
SucroseSucroseME369176----
Tartaric acidTartaric acidME369177----
TaurineTaurineME369178----
ThiamineThiamineME369179----
ThreonineThreonineME369180----
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME369181----
trans-4-Hydroxy-prolinetrans-4-HydroxyprolineME369183----
trans-Ferulic acidtrans-Ferulic acidME369184----
TryptophanTryptophanME369185----
TyrosineTyrosineME369186----
Ubiquinone Q1_analog-ME369187----
UDP-GlucoseUDP-glucoseME369188----
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME369189----
UMPUMPME369190----
UreaUreaME369191----
Uric acidUric acidME369192----
UridineUridineME369193----
Uridine monophosphate (UMP)UMPME369194----
Urocanic acidUrocanic acidME369195----
Urocanic acid_analog-ME369196----
Vaccenic acidcis-Vaccenic acidME369197----
Vaccenic Acidcis-Vaccenic acidME369198----
ValineValineME369199----
XanthineXanthineME369200----
Y (Pseudouridine)TyrosineME369201----


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