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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 335NADHME898895439153C000045.84-
NADH 408NADHME898894439153C000045.84-
NADPH 328NADPHME8989005884C000058.25-
NADPH 408NADPHME8988995884C000058.2-
NAD+ 273NADME8988935892C000066.04-
NAD+ 540NADME8988925892C000066.02-
NADP+ 134NADPME8988975886C000067.93-
NADP+ 408NADPME8988985886C000067.9-
NADP+ 620NADPME8988965886C000067.87-
Coenzyme A 408Coenzyme AME89890287642C000106.32-
Coenzyme A 79Coenzyme AME89890187642C000106.3-
UDP 111UDPME8988796031C000157.76-
UDP 79UDPME8988806031C000157.77-
FAD 517FADME898904643975C000164.62-
FAD 79FADME898903643975C000164.63-
AMP 193AMPME8988716083C000205.86-
AMP 79AMPME8988706083C000205.86-
Pyruvic 32Pyruvic acidME8987481060C000222.87-
Acetyl-CoA 408Acetyl-CoAME898908444493C000245.54-
Acetyl-CoA 461Acetyl-CoAME898909444493C000245.55-
Acetyl-CoA 79Acetyl-CoAME898907444493C000245.54-
Glutamic 102Glutamic acidME89879033032C000256.28-
Glutamic 128Glutamic acidME89879133032C000256.29-
Ketoglutaric 1012-Oxoglutaric acidME89878751C000266.97-
Ketoglutaric 572-Oxoglutaric acidME89878851C000266.96-
UDP-glucose 273UDP-glucoseME8988888629C000297.49-
UDP-glucose 323UDP-glucoseME8988878629C000297.49-
Glucose 59GlucoseME8988215793C000316.15-
Glucose 71GlucoseME8988225793C000316.16-
Glucose 89GlucoseME8988255793C000316.15-
Acetic PARAcetic acidME898743176C000333.37-
Acetic PAR ATTNAcetic acidME898744176C000333.37-
[D3] Acetic PARAcetic acidME898745176C000333.36-
Oxaloacetic 87Oxaloacetic acidME898776970C000367.82-
Aspartic 115Aspartic acidME8987815960C00046.56-
Aspartic 88Aspartic acidME8987805960C00046.55-
Succinic 73Succinic acidME8987641110C000426.74-
Succinic 99Succinic acidME8987651110C000426.74-
UDP-N-acetyl-D-glucosamine 79UDP-N-acetylglucosamineME898889445675C000436.77-
Glyoxylic 45Glyoxylic acidME898746760C000483.07-
Formic PARFormic acidME898742284C000583.57-
Ascorbic 157-ME89881654670067C000727.04-
Ascorbic 79-ME89881754670067C000726.98-
PEP 79Phosphoenolpyruvic acidME8988021005C000748.43-
UTP 79UTPME8988866133C000758.61-
Phenylalanine 147PhenylalanineME8987996140C000793.74-
Phenylalanine 72PhenylalanineME8988006140C000793.74-
Malonyl-CoA 408Malonyl-CoAME898915644066C000837.83-
Malonyl-CoA 426Malonyl-CoAME898916644066C000837.83-
Sucrose 89SucroseME8988685988C000896.69-
Succinyl-CoA 408Succinyl-CoAME89891792133C000917.54-
Glucose 6-phosphate 139Glucose 6-phosphateME8988585958C000927.84-
Glucose 6-phosphate 97Glucose 6-phosphateME8988575958C000927.84-
Glycerol 3-phosphate 79sn-Glycero-3-phosphateME898809439162C000936.65-
Fructose 89FructoseME898824439163C000955.51-
Propionyl-CoA 408Propionyl-CoAME89891092753C001005.24-
Glucose 1-phosphate 151Glucose 1-phosphateME89885665533C001037.39-
Glucose 1-phosphate 79Glucose 1-phosphateME89885565533C001037.33-
DHAP 79Dihydroxyacetone phosphateME898805668C001116.84-
DHAP 97Dihydroxyacetone phosphateME898806668C001116.84-
CDPCDPME8988786132C001128.08-
Fumaric 71Fumaric acidME898760444972C001227.32-
GSSG 179Oxidized glutathioneME89889165359C001278.08-
GSSG 306Oxidized glutathioneME89889065359C001278.08-
IMP 79IMPME898872135398640C001305.86-
Butyryl-CoA 408Butyryl-CoAME898912122283C001364.71-
Butyryl-CoA 79Butyryl-CoAME898911122283C001364.79-
myo-Inositol 161Myo-inositolME898823892C001377.57-
GMP 79GMPME898875135398631C001447.65-
Malic 115Malic acidME898782222656C001497.32-
Malic 71Malic acidME898783222656C001497.32-
Asparagine 113AsparagineME8987776267C001526.66-
Palmitoyl-CoA (16:0) 79Palmitoyl-CoAME898925644109C001542.52-
Citric 87Citric acidME898835311C001588.79-
Citric/Isocitric 111Citric acid/Isocitric acidME898838311C001588.85-
Citric/Isocitric 173Citric acid/Isocitric acidME898839311C001588.98-
Mannose 59MannoseME89882618950C001596.07-
Mannose 95MannoseME89882718950C001596.07-
Propionic PARPropionic acidME8987471032C001633.1-
Benzoic 772-Pyrocatechuic acidME898768243C001801.74-
Cellobiose 161CellobioseME89886710712C001856.99-
3PGA 973-Phosphoglyceric acidME898834439183C001978.21-
Glucono-1,5-lactone 129GluconolactoneME8988197027C001985.5-
Oxalic 61Oxalic acidME898750971C002098.37-
Taurine 80TaurineME8987691123C002456.39-
Butyric PARButyric acidME898749264C002462.63-
Palmitic PARPalmitic acidME898854985C002491.38-
Riboflavin 243RiboflavinME898877493570C002552.96-
EDTA 273Edetic acidME8988616049C002846.32-
Orotic 111Orotic acidME898793967C002953.59-
Orotic 67Orotic acidME898794967C002953.58-
Uridine 111UridineME8988516029C002993.66-
Isocitric 117Isocitric acidME8988371198C003118.99-
Isocitric 73Isocitric acidME8988361198C003118.99-
Citrulline 131CitrullineME8988159750C003277.02-
Ethanolamine phosphate 63PhosphoethanolamineME8987851015C003467.46-
Ethanolamine phosphate 79PhosphoethanolamineME8987841015C003467.47-
HMG-CoA 4083-Hydroxy-3-methylglutaryl-CoAME898918445127C003567.34-
HMG-CoA 4263-Hydroxy-3-methylglutaryl-CoAME898919445127C003567.22-
dGDP 79dGDPME898882135398595C003617.04-
Uric 124Uric acidME8988031175C003665.1-
Uric 96Uric acidME8988041175C003665.09-
Malonic 59Malonic acidME898754867C003836.8-
Xanthine 108XanthineME8987921188C003854.32-
Mannitol 89MannitolME8988286251C003925.79-
cis-Aconitic 111cis-Aconitic acidME898812643757C004178.17-
cis-Aconitic 85cis-Aconitic acidME898811643757C004178.18-
Itaconic 41Itaconic acidME898775811C004906.87-
Itaconic 85Itaconic acidME898774811C004906.81-
Cystine 120CystineME89884967678C004917.19-
Cystine 74CystineME89885067678C004917.18-
Folic 311Folic acidME898885135398658C005047.55-
Oleoyl-CoA (18:1) 79Oleoyl-CoAME8989265497111C005102.65-
Deoxyuridine 111DeoxyuridineME89884413712C005262.82-
Cholic 343Cholic acidME898881221493C006951.58-
Sorbitol 71SorbitolME8988295780C007945.79-
Formyl-CoA 408-ME8989053082032C007986.28-
Formyl-CoA 79-ME8989063082032C007985.86-
Valeric PARValeric acidME8987537991C008031.72-
O-Acetylserine 116O-AcetylserineME89878999478C009793.8-
O-Phospho-L-serine 79PhosphoserineME89883368841C010057.59-
O-Phospho-L-serine 97PhosphoserineME89883268841C010057.72-
N-Acetyl-L-aspartic 156-ME89881465065C010426.48-
N-Acetyl-L-aspartic 88-ME89881365065C010426.44-
Trehalose 59TrehaloseME8988697427C010837.02-
3-Hydroxybutyric 173-Hydroxybutyric acidME898756441C010892.88-
3-Hydroxybutyric 593-Hydroxybutyric acidME898758441C010892.88-
Mevalonate pyrophosphate 79-ME898862439418C011437.58-
3-Hydroxyisobutyric 733-Hydroxyisobutyric acidME89875987C011883.18-
Maleic 27Maleic acidME898762444266C01384--
Maleic 71Maleic acidME898761444266C013843.26-
Lactic 71Lactic acidME898752612C014323.1-
Lactic 87Lactic acidME898751612C014323.1-
Stearic PARStearic acidME8988595281C015301.44-
Hippuric 134Hippuric acidME898820464C015861.7-
Xanthosine 151XanthosineME89886064959C017624.93-
Lauroyl-CoA 408Lauroyl-CoAME898920165436C018322.62-
Pyroglutamic 82Pyroglutamic acidME8987727405C018793.57-
Methylmalonic 55Methylmalonic acidME898766487C021706.09-
Methylmalonic 73Methylmalonic acidME898767487C021706.09-
Citraconic 85Citraconic acidME898773643798C022262.86-
Phosphocreatine 79PhosphocreatineME8988439548602C023056.84-
Myristoyl-CoA 408Myristoyl-CoAME89892311966124C025932.64-
N-Acetylleucine 130N-AcetylleucineME89881070912C027101.66-
Glycerol 2-phosphate 79sn-Glycero-2-phosphateME8988082526C029796.31-
fMet 128N-FormylmethionineME898818439750C031451.75-
S-2-hydroxyisocaproic 113-ME89877983697C032641.73-
S-2-hydroxyisocaproic 85-ME89877883697C032641.67-
Methylcrotonyl-CoA 4082-Methylcrotonoyl-CoAME8989146443760C033456.2-
Methylcrotonyl-CoA 792-Methylcrotonoyl-CoAME8989136443760C033456.27-
FAICAR 79FAICARME898876166760C047347.67-
Fructose-1,6-bisphosphate 177Fructose 1,6-bisphosphateME89886610267C05378--
Fructose-1,6-bisphosphate 97Fructose 1,6-bisphosphateME89886510267C053787.02-
Penicillin G 289Penicillin GME8988635904C055512.65-
Phenyllactic 147Phenyllactic acidME898801643327C056071.69-
2-Hydroxybutyric 172-Hydroxybutyric acidME89875511266C059842.5-
2-Hydroxybutyric 572-Hydroxybutyric acidME89875711266C059842.53-
Octanoic PAR-ME898786379C064231.48-
Myristic PARMyristic acidME89884511005C064241.36-
N-Acetylcysteine 120N-AcetylcysteineME89879812035C068092.71-
N-Acetylcysteine 84N-AcetylcysteineME89879712035C068092.55-
Tartrazine 2- 211-ME898846164825C075749.76-
Palmitoleic PARPalmitoleic acidME898853445638C083621.36-
Saccharin 42SaccharinME8988305143C122831.55-
Phenol Red 195PhenolsulfonphthaleinME8988744766C126001.69-
Phenol Red 93PhenolsulfonphthaleinME8988734766C126001.71-
Lipoic 137Lipoic acidME8988426112C162411.7-
Lipoic 171Lipoic acidME8988416112C162411.69-
Homocysteic 80Homocysteic acidME898831177491C165117.28-
Indole-3-carboxylic 116Indole-3-carboxylic acidME89879669867C198372.96-
Palmitoleyl-CoA (16:1) 79Palmitoleoyl-CoAME89892425244394C210722.67-
Pemetrexed 297-ME898883135410875D074725.84-
Pemetrexed 321-ME898884135410875D07472--
alpha-Cyclodextrin 101-ME898922444913D088467.18-
alpha-Cyclodextrin 161-ME898921444913D088467.44-
C75 209-ME8988524248455-1.4-
Ethyl sulfate 80-ME8987716004-2.69-
Ethyl sulfate 97-ME8987706004-2.49-
Fasnall 178-ME89886416230362-1.92-
Glycerol 1-phosphate 79sn-Glycero-3-phosphateME898807--6.08-
HEPES 107HEPESME89884823831-3.96-
HEPES 80HEPESME89884723831-4.1-
N-Acetylglycine 74N-AcetylglycineME89876310972-3.41-
N-Formylleucine 114-ME8987959880216-1.69-
Sunset Yellow 2- 171-ME89884017730-2.91-


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
ATP 136ATPME8990835957C000027.95-
ATP 232ATPME8990845957C000027.96-
NADH 348NADHME899091439153C000045.85-
NADH 649NADHME899090439153C000046.02-
NAD+ 428NADME8990895892C000066.02-
NAD+ 524NADME8990885892C000066.02-
ADP 136ADPME8990666022C000087.04-
ADP 97ADPME8990676022C000087.04-
AMP 136AMPME8990536083C000205.85-
Acetyl-CoA 303Acetyl-CoAME899099444493C000245.52-
Acetyl-CoA 428Acetyl-CoAME899100444493C000245.54-
Glycine 30GlycineME898931750C000376.9-
Glycine 48GlycineME898932750C000376.9-
Alanine 42AlanineME8989365950C000416.3-
Alanine 44AlanineME8989355950C000416.32-
Lysine 84LysineME8989865962C0004712.41-
GSH 290GlutathioneME899046124886C000516.05-
GSH 76GlutathioneME899045124886C000516.05-
Arginine 157ArginineME8989996322C0006213.01-
Arginine 70ArginineME8989986322C0006213.01-
Glutamine 101GlutamineME8989855961C000646.56-
Glutamine 84GlutamineME8989845961C000646.56-
Serine 60SerineME8989435951C000656.95-
Methionine 104MethionineME8989876137C000734.52-
Methionine 61MethionineME8989886137C000734.52-
Ornithine 70OrnithineME8989786262C0007711.82-
Tryptophan 118TryptophanME8990206305C000784.64-
Tryptophan 146TryptophanME8990196305C000784.64-
Tyrosine 123TyrosineME8990056057C000825.42-
Tyrosine 136TyrosineME8990046057C000825.41-
Malonyl-CoA 303Malonyl-CoAME899101644066C000837.96-
Malonyl-CoA 428Malonyl-CoAME899102644066C000837.86-
Urea 44UreaME8989271176C000864.05-
Cysteine 76CysteineME8989545862C000976.08-
Cysteine PAR POSCysteineME8989535862C000976.02-
beta-Alanine 30beta-AlanineME898939239C000996.69-
Uracil 70UracilME8989441174C001062.51-
Choline 60CholineME898942305C0011410.2-
Biotin 209 POSBiotinME899034171548C001201.97-
Biotin 227BiotinME899033171548C001202.21-
Leucine 27LeucineME8989736106C001234.1-
Leucine 43LeucineME8989726106C001234.11-
Histidine 110 POSHistidineME8989906274C001356.28-
Histidine 83HistidineME8989916274C001356.27-
Adenine 119AdenineME898979190C001473.35-
Proline 70ProlineME898946145742C001485.15-
Asparagine 87AsparagineME8989776267C001526.67-
Niaciamide 106NiacinamideME898957936C001532.54-
Niaciamide 80NiacinamideME898956936C001532.54-
Thymine 84ThymineME8989621135C001782.55-
Valine 55ValineME8989486287C001834.98-
Valine 72ValineME8989476287C001834.98-
Threonine 102ThreonineME8989526288C001886.1-
Threonine 74 POSThreonineME8989516288C001886.1-
Ethanolamine 29EthanolamineME898929700C0018911.86-
Ethanolamine 44EthanolamineME898928700C0018911.86-
Adenosylcobalamin 147AdenosylcobalaminME89909670678541C001945.01-
Adenosylcobalamin 341AdenosylcobalaminME89909770678541C001945.11-
Sarcosine 30SarcosineME8989381088C002135.89-
Sarcosine 44SarcosineME8989371088C002135.88-
Thymidine 127ThymidineME8990315789C002142.54-
Guanine 135GuanineME898989135398634C002425.23-
Hypoxanthine 110HypoxanthineME898980135398638C002623.81-
Hypoxanthine 67HypoxanthineME898981135398638C002623.81-
Inosine 137InosineME899040135398641C002944.26-
Creatine 114CreatineME898968586C003006.25-
Creatine 90CreatineME898967586C003006.25-
Pyridoxine 134PyridoxineME8989961054C003142.74-
Pyridoxine 152PyridoxineME8989951054C003142.73-
Carnitine 102CarnitineME89899410917C003185.37-
Carnitine 85CarnitineME89899310917C003185.37-
Citrulline 113CitrullineME8990029750C003277.02-
Citrulline 70CitrullineME8990019750C003277.02-
Glucosamine 84GlucosamineME899003439213C003296.16-
Deoxyguanosine 152DeoxyguanosineME899039135398592C003304.41-
GABA 87gamma-Aminobutyric acidME898940119C003346.7-
Thiamine 122ThiamineME8990381130C0037810.37-
Carnosine 110CarnosineME899027439224C003866.94-
Carnosine 210CarnosineME899028439224C003866.95-
Guanosine 152GuanosineME899042135398635C003875.26-
Isoleucine 58IsoleucineME8989716306C004074.34-
Isoleucine 69IsoleucineME8989706306C004074.34-
Pipecolinic 84-ME898964849C004084.93-
5-Aminovaleric 83-ME898949138C004316.74-
Cytidine 112CytidineME8990326175C004754.75-
Folic 295Folic acidME899076135398658C005047.63-
pABA 120p-Aminobenzoic acidME898982978C005683.81-
Betaine 58BetaineME898950247C007194.26-
Creatinine 86CreatinineME898945588C007914.29-
Formyl-CoA 428-ME8990983082032C007985.95-
Pantothenic 202Pantothenic acidME8990246613C008642.65-
Deoxycytidine 112DeoxycytidineME89902913711C008813.97-
N,N-Dimethylglycine 58DimethylglycineME898941673C010264.81-
Trimethylamine N-oxide 59Trimethylamine N-oxideME8989331145C011043.99-
trans-4-Hydroxyproline 68trans-4-HydroxyprolineME8989665810C011576.15-
Imidazole 42ImidazoleME898930795C015892.62-
Puro Heavy 121-ME899081439530C016101.56-
Kynurenic 144 POSKynurenic acidME8990093845C017171.75-
Kynurenic 162Kynurenic acidME8990103845C017171.74-
Kynurenine 164KynurenineME899022846C017184.23-
Kynurenine 94KynurenineME899021846C017184.19-
Pyroglutamic 84Pyroglutamic acidME8989637405C018793.62-
Methotrexate 134MethotrexateME899080126941C01937--
Methotrexate 308MethotrexateME899079126941C019374.87-
Octanoyl-CoA 428Octanoyl-CoAME899103445344C019441.46-
Acetylcholine 87AcetylcholineME898983187C019967.62-
Citraconic 113Citraconic acidME898965643798C022263-
6-Aminocaproic 696-Aminocaproic acidME898969564C023786.25-
O-Acetylcarnitine 145CAR 2:0ME8990187045767C025714.08-
O-Acetylcarnitine 85CAR 2:0ME8990177045767C025714.09-
Myristoyl-CoA 428Myristoyl-CoAME89910411966124C025931.52-
3-Ureidopropionic 61-ME898976111C026424.57-
3-Ureidopropionic 90 POS-ME898975111C026424.7-
N-Acetyl-L-methionine 133N-AcetylmethionineME899013448580C027121.8-
N-Acetyl-L-methionine 144N-AcetylmethionineME899012448580C027121.74-
N-epsilon-Acetyllysine 126N6-AcetyllysineME89900792832C027275.24-
N-epsilon-Methyllysine 144N(6)-MethyllysineME898992164795C0272811.75-
Cyanocobalamin 147CyanocobalaminME8990945311498C028234.31-
Cyanocobalamin 457CyanocobalaminME8990955311498C028234.35-
4-Imidazoleacetic 54-ME89896196215C028354.4-
4-Imidazoleacetic 81 POS-ME89896096215C028354.4-
O-Caprylylcarnitine 85CAR 8:0ME89904311953814C028381.73-
O-Butyrylcarnitine 85CAR 4:0ME899030213144C028622.87-
O-Palmitoylcarnitine 85CAR 16:0ME89906211953816C029901.55-
O-Propionylcarnitine 85CAR 3:0ME8990234485C030172.54-
O-Caprylcarnitine 85CAR 10:0ME89904711953821C032991.69-
Asymmetric dimethylarginine 70DimethylarginineME899016123831C0362610.7-
N,N,N-Trimethyllysine 84N-6-TrimethyllysineME899008440120C0379310.88-
Penicillin G 289 POSPenicillin GME8990495904C055512.66-
Methylcobalamin 147MethylcobalaminME899092123134034C064109.03-
Methylcobalamin 636MethylcobalaminME899093123134034C06410--
Doxycycline 321DoxycyclineME89907754671203C069732.55-
Tris 56-ME8989556503C071821.68-
Caffeine 135CaffeineME8990152519C074811.8-
Caffeine 138CaffeineME8990142519C074811.54-
Rotenone 213RotenoneME8990606758C075931.37-
Picolinic 96Picolinic acidME8989591018C101642.67-
Picolinic/Nicotinic 78 POS-ME8989581018C101642.68-
DMSO 64Dimethyl sulfoxideME898934679C111432.29-
Cerulenin 207CeruleninME8990255282054C120581.53-
Cerulenin 89CeruleninME8990265282054C120581.54-
N-alpha-Acetyllysine 84N(2)-AcetyllysineME899006192590C129896.41-
AZD3965 413-ME899085--1.62-
Diethylsuccinate 101-ME89899731249-1.47-
Dimethylmalonate 101Dimethylmalonic acidME8989747943-1.61-
Fasnall 218-ME89905016230362-1.72-
GSK2194069 344-ME89906967376285-1.44-
LW6 135-ME89907216124726-1.84-
LW6 180-ME89907316124726-1.53-
Ne_Ne-Dimethyllysine 84-ME899000193344-10.53-
O-Acyl(17:1)carnitine 85CAR 17:1ME899063--1.61-
O-Caproylcarnitine 85CAR 6:0ME8990373246938-1.77-
O-Enanthylcarnitine 85CAR 7:0ME89904142265-2.09-
O-Erucioyl-L-carnitine 85-ME8990826441570-1.53-
O-Formyl-L-carnitine 145-ME899011--4.64-
O-Lauroleoylcarnitine 85CAR 12:1ME899051156961751-1.65-
O-Lauroylcarnitine 85CAR 12:0ME899052168381-1.63-
O-Malonylcarnitine 85CAR DC3:0ME89903691825606-5.29-
O-Margaroylcarnitine 85CAR 17:0ME899064145720489-1.6-
O-Myristoleoylcarnitine 85CAR 14:1ME89905553477791-1.61-
O-Myristoylcarnitine 85CAR 14:0ME89905653477791-1.59-
O-Oleoylcarnitine 85CAR 18:1ME89906546907933-1.52-
O-Palmitoleoylcarnitine 85CAR 16:1ME899061156908005-1.56-
O-Paullinoyl-L-carnitine 85-ME89907871464507-1.53-
O-Pelargonylcarnitine 85CAR 9:0ME89904442281-1.72-
O-Pentadecyloylcarnitine 85CAR 15:0ME89905993684-1.65-
O-Stearoylcarnitine 85CAR 18:0ME8990683006797-1.51-
O-Tridecyloylcarnitine 85CAR 13:0ME8990543072472-1.69-
O-Undecyloylcarnitine 85CAR 11:0ME89904842294-1.69-
O-Valerylcarnitine 85CAR 5:0ME8990356426903-1.91-
TVB-2640 386-ME89907566548316---
TVB-2640 412-ME89907466548316-1.48-
TVB-3166 116-ME89905772947731-1.4-
TVB-3166 342-ME89905872947731-1.39-
VY-3-135 355-ME899071--1.49-
VY-3-135 412-ME899070--1.49-
VY-7-137 233-ME899087--1.47-
VY-7-137 508-ME899086--1.5-


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