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Analysis: HILIC 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
NADH 335NADHME881746439153C000045.99-
NADH 408NADHME881745439153C000045.99-
NADPH 328NADPHME8817485884C00005--
NADPH 408NADPHME8817475884C000058.13-
NAD+ 273NADME8817445892C000066.12-
NAD+ 540NADME8817435892C000066.12-
Coenzyme A 408Coenzyme AME88175087642C000106.1-
Coenzyme A 79Coenzyme AME88174987642C000106.09-
FAD 408FADME881752643975C000165.48-
FAD 79FADME881751643975C000165.47-
Pyruvic 32Pyruvic acidME8816991060C000222.66-
Acetyl-CoA 408Acetyl-CoAME881754444493C000246.01-
Acetyl-CoA 461Acetyl-CoAME881755444493C000246.03-
Acetyl-CoA 79Acetyl-CoAME881753444493C000246.02-
Glutamic acid 102Glutamic acidME88171833032C000256.71-
Glutamic acid 128Glutamic acidME88171933032C000256.77-
Ketoglutaric 1012-Oxoglutaric acidME88171651C000267.02-
Ketoglutaric 572-Oxoglutaric acidME88171751C000267.01-
Glucose 59GlucoseME8817275793C000316.43-
Glucose 71GlucoseME8817285793C000316.28-
Acetic PARAcetic acidME881697176C000333.43-
Oxaloacetic 87Oxaloacetic acidME881710970C000368.03-
Aspartic 115Aspartic acidME8817135960C00046.65-
Aspartic 88Aspartic acidME8817125960C00046.66-
Alanine NEG PARAlanineME8817005950C000416.42-
Succinic 73Succinic acidME8817061110C000426.92-
Succinic 99Succinic acidME8817071110C000427.01-
Formic PARENTFormic acidME881696284C000583.81-
Arginine 131ArginineME8817246322C0006212.99-
Arginine 156ArginineME8817256322C0006212.97-
Phenylalanine 147PhenylalanineME8817206140C000793.83-
Phenylalanine 72PhenylalanineME8817216140C000793.85-
Malonyl-CoA 408Malonyl-CoAME881761644066C000838.09-
Malonyl-CoA 426Malonyl-CoAME881762644066C00083--
Succinyl-CoA 408Succinyl-CoAME88176392133C000917.58-
Cysteine PARENTCysteineME8817085862C000976.78-
Propionyl-CoA 408Propionyl-CoAME88175692753C001005.12-
Fumaric 71Fumaric acidME881705444972C001227.55-
GSSG 179Oxidized glutathioneME88174265359C001278.28-
GSSG 306Oxidized glutathioneME88174165359C001278.26-
Butyryl-CoA 408Butyryl-CoAME881758122283C001365.14-
Butyryl-CoA 79Butyryl-CoAME881757122283C001365.2-
myo-Inositol 161Myo-inositolME881729892C001377.56-
Malic 115Malic acidME881714222656C001497.56-
Malic 71Malic acidME881715222656C001497.55-
Asparagine 113AsparagineME8817116267C001526.73-
Palmitoyl-CoA (16:0) 79Palmitoyl-CoAME881772644109C001543.61-
Citric 111Citric acidME881730311C0015810.36-
Citric 173Citric acidME881731311C001589.67-
Propionic PARENTPropionic acidME8816981032C001633.01-
Taurine 80TaurineME8817091123C002456.43-
Butyric PARButyric acidME881701264C002462.66-
Riboflavin 243RiboflavinME881739493570C002552.92-
Citrulline 131CitrullineME8817269750C003277.07-
HMG-CoA 4083-Hydroxy-3-methylglutaryl-CoAME881765445127C003567.28-
HMG-CoA 4263-Hydroxy-3-methylglutaryl-CoAME881766445127C00356--
Uric 124Uric acidME8817221175C003665.16-
Uric 96Uric acidME8817231175C003665.16-
Malonic 59Malonic acidME881704867C003837.03-
Cystine 120CystineME88173467678C004917.05-
Cystine 74CystineME88173567678C004917.17-
Folic 311Folic acidME881740135398658C005047.78-
Oleoyl-CoA (18:1) 79Oleoyl-CoAME8817735497111C005103.43-
Lactic 71Lactic acidME881703612C01432--
Lactic 87Lactic acidME881702612C014323.13-
Lauroyl-CoA 408Lauroyl-CoAME881767165436C018323.73-
Octanoyl-CoA 79Octanoyl-CoAME881764445344C019446.86-
Myristoyl-CoA 408Myristoyl-CoAME88177011966124C025933.77-
Methylcrotonyl-CoA 4082-Methylcrotonoyl-CoAME8817606443760C033456.05-
Methylcrotonyl-CoA 792-Methylcrotonoyl-CoAME8817596443760C033455.99-
Penicillin G 289Penicillin GME8817365904C055512.62-
Phenol Red 195PhenolsulfonphthaleinME8817384766C126001.76-
Phenol Red 93PhenolsulfonphthaleinME8817374766C126001.57-
Palmitoleyl-CoA (16:1) 79Palmitoleoyl-CoAME88177125244394C210723.51-
aCD 101-ME881769444913D088467.49-
aCD 161-ME881768444913D088467.43-
HEPES 107HEPESME88173323831-3.81-
HEPES 80HEPESME88173223831-3.7-


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
NADH 348NADHME881822439153C000045.99-
NADH 649NADHME881821439153C000045.99-
NAD+ 428NADME8818205892C000066.11-
NAD+ 524NADME8818195892C000066.11-
Acetyl-CoA 303Acetyl-CoAME881829444493C000245.87-
Acetyl-CoA 428Acetyl-CoAME881830444493C00024--
Glycine PARENT POSGlycineME881775750C000376.9-
Alanine PARENT POSAlanineME8817765950C000416.43-
Lysine 84LysineME8817955962C0004712.41-
Glutamine 130GlutamineME8817945961C000646.51-
Glutamine 84GlutamineME8817935961C000646.52-
Serine 60SerineME8817785951C000657.03-
Methionine 104MethionineME8817966137C000734.58-
Methionine 61MethionineME8817976137C000734.59-
Ornithine 70OrnithineME8817916262C0007711.71-
Tryptophan 118TryptophanME8818096305C000784.73-
Tryptophan 146TryptophanME8818086305C000784.72-
Tyrosine 123TyrosineME8818056057C000825.48-
Tyrosine 136TyrosineME8818046057C000825.49-
Malonyl-CoA 303Malonyl-CoAME881831644066C000838.08-
Malonyl-CoA 428Malonyl-CoAME881832644066C00083--
Urea 44UreaME8817741176C000864.17-
Cysteine 76CysteineME8817855862C000976.15-
Cysteine PARENT POSCysteineME8817845862C000976.66-
Choline 60CholineME881777305C001149.78-
Biotin 227BiotinME881811171548C001203.21-
Leucine 86LeucineME8817896106C001234.12-
Histidine 110 POSHistidineME8817986274C00135--
Histidine 83HistidineME8817996274C00135--
Proline 70ProlineME881779145742C001485.23-
Asparagine 87AsparagineME8817906267C001526.68-
Niaciamide 106NiacinamideME881787936C001532.66-
Niaciamide 80NiacinamideME881786936C001532.66-
Valine 55ValineME8817816287C001835.06-
Valine 72ValineME8817806287C001835.05-
Threonine 102ThreonineME8817836288C001885.89-
Threonine 74 POSThreonineME8817826288C001886.08-
Adenosylcobalamin 147AdenosylcobalaminME88182770678541C001947.6-
Adenosylcobalamin 341AdenosylcobalaminME88182870678541C00194--
Pyridoxine 134PyridoxineME8818011054C003142.69-
Pyridoxine 152PyridoxineME8818001054C003142.67-
Citrulline 113CitrullineME8818039750C003277.17-
Citrulline 70CitrullineME8818029750C003277.09-
Thiamine 122ThiamineME8818121130C0037810.09-
Isoleucine 69IsoleucineME8817886306C004074.4-
Folic 295Folic acidME881816135398658C005047.79-
pABA 120p-Aminobenzoic acidME881792978C005683.87-
Pantothenic 202Pantothenic acidME8818106613C008642.65-
Puro Heavy 121-ME881818439530C016101.58-
O-Acetyl-L-carnitine 145CAR 2:0ME8818077045767C025714.18-
O-Acetyl-L-carnitine 85CAR 2:0ME8818067045767C025714.16-
Myristoyl-CoA 428Myristoyl-CoAME88183311966124C025933.61-
Cyanocobalamin 147CyanocobalaminME8818255311498"C028233.99-
Cyanocobalamin 457CyanocobalaminME8818265311498"C028234.39-
Penicillin G 289 POSPenicillin GME8818135904C055512.65-
Methylcobalamin 147MethylcobalaminME881823123134034C064109.12-
Methylcobalamin 636MethylcobalaminME881824123134034C06410--
Doxycycline 321DoxycyclineME88181754671203C069732.66-
Fasnall 218-ME88181416230362-1.84-
GSK2194069 344-ME88181567376285-1.34-


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