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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
Palmitoleic PARPalmitoleic acidME899579445638C083621.36-
Palmitic PARPalmitic acidME899580985C002491.37-
Stearic PARStearic acidME8995855281C015301.38-
Myristic PARMyristic acidME89957111005C064241.39-
C75 209-ME8995784248455-1.41-
Octanoic PAR-ME899512379C064231.48-
Phenol Red 93PhenolsulfonphthaleinME8995994766C126001.48-
Cholic 343Cholic acidME899607221493C006951.57-
Lipoic 171Lipoic acidME8995676112C162411.61-
Saccharin 42SaccharinME8995565143C122831.61-
Lipoic 137Lipoic acidME8995686112C162411.63-
Hippuric 134Hippuric acidME899546464C015861.65-
N-Acetylleucine 130N-AcetylleucineME89953670912C027101.65-
S-2-hydroxyisocaproic 85-ME89950483697C032641.66-
Fasnall 178-ME89959016230362-1.67-
N-Formylleucine 114-ME8995219880216-1.68-
Phenyllactic 147Phenyllactic acidME899527643327C056071.68-
Phenol Red 195PhenolsulfonphthaleinME8996004766C126001.69-
Valeric PARValeric acidME8994797991C008031.71-
fMet 128N-FormylmethionineME899544439750C031451.72-
S-2-hydroxyisocaproic 113-ME89950583697C032641.72-
Benzoic 772-Pyrocatechuic acidME899494243C001801.76-
2-Hydroxybutyric 172-Hydroxybutyric acidME89948111266C059842.46-
Ethyl sulfate 97-ME8994966004-2.5-
Ethyl sulfate 80-ME8994976004-2.51-
2-Hydroxybutyric 572-Hydroxybutyric acidME89948311266C059842.53-
N-Acetylcysteine 84N-AcetylcysteineME89952312035C068092.6-
Myristoyl-CoA 408Myristoyl-CoAME89964911966124C025932.62-
N-Acetylcysteine 120N-AcetylcysteineME89952412035C068092.62-
Palmitoleyl-CoA (16:1) 79Palmitoleoyl-CoAME89965025244394C210722.62-
Palmitoyl-CoA (16:0) 79Palmitoyl-CoAME899651644109C001542.62-
Butyric PARButyric acidME899475264C002462.63-
Lauroyl-CoA 408Lauroyl-CoAME899646165436C018322.63-
Oleoyl-CoA (18:1) 79Oleoyl-CoAME8996525497111C005102.63-
Penicillin G 289Penicillin GME8995895904C055512.8-
Deoxyuridine 111DeoxyuridineME89957013712C005262.83-
3-Hydroxybutyric 593-Hydroxybutyric acidME899484441C010892.84-
3-Hydroxybutyric 173-Hydroxybutyric acidME899482441C010892.86-
Indole-3-carboxylic 116Indole-3-carboxylic acidME89952269867C198372.92-
Riboflavin 243RiboflavinME899603493570C002552.96-
Sunset Yellow 2- 171-ME89956617730-3-
Glyoxylic 45Glyoxylic acidME899472760C000483.05-
Lactic 71Lactic acidME899478612C014323.05-
Lactic 87Lactic acidME899477612C014323.05-
Pyruvic 32Pyruvic acidME8994741060C000223.05-
Propionic PARPropionic acidME8994731032C001633.08-
3-Hydroxyisobutyric 733-Hydroxyisobutyric acidME89948587C011883.13-
Maleic 71Maleic acidME899487444266C013843.16-
Citraconic 85Citraconic acidME899499643798C022263.17-
Acetic PARAcetic acidME899469176C000333.31-
Acetic PAR ATTNAcetic acidME899470176C000333.31-
N-Acetylglycine 74N-AcetylglycineME89948910972-3.33-
[D3] Acetic PARAcetic acidME899471176C000333.34-
Pyroglutamic 82Pyroglutamic acidME8994987405C018793.49-
Orotic 111Orotic acidME899519967C002953.52-
Orotic 67Orotic acidME899520967C002953.52-
Formic PARFormic acidME899468284C000583.59-
Uridine 111UridineME8995776029C002993.65-
Phenylalanine 147PhenylalanineME8995256140C000793.7-
Phenylalanine 72PhenylalanineME8995266140C000793.7-
O-Acetylserine 116O-AcetylserineME89951599478C009793.72-
HEPES 107HEPESME89957423831-4.12-
HEPES 80HEPESME89957323831-4.13-
Xanthine 108XanthineME8995181188C003854.27-
FAD 517FADME899630643975C000164.48-
FAD 79FADME899629643975C000164.51-
Xanthosine 151XanthosineME89958664959C017624.81-
Propionyl-CoA 408Propionyl-CoAME89963692753C001004.89-
Butyryl-CoA 79Butyryl-CoAME899637122283C001364.96-
Uric 96Uric acidME8995301175C003664.98-
Butyryl-CoA 408Butyryl-CoAME899638122283C001365.02-
Uric 124Uric acidME8995291175C003665.02-
Acetyl-CoA 408Acetyl-CoAME899634444493C000245.4-
Acetyl-CoA 461Acetyl-CoAME899635444493C000245.4-
Acetyl-CoA 79Acetyl-CoAME899633444493C000245.41-
Fructose 89FructoseME899550439163C000955.5-
Pemetrexed 297-ME899609135410875D074725.66-
NADH 335NADHME899621439153C000045.71-
NADH 408NADHME899620439153C000045.72-
Mannitol 89MannitolME8995546251C003925.75-
Sorbitol 71SorbitolME8995555780C007945.75-
AMP 193AMPME8995976083C000205.76-
AMP 79AMPME8995966083C000205.76-
IMP 79IMPME899598135398640C001305.76-
Glucono-1,5-lactone 129GluconolactoneME8995457027C001985.83-
NAD+ 273NADME8996195892C000065.94-
NAD+ 540NADME8996185892C000065.94-
Methylcrotonyl-CoA 792-Methylcrotonoyl-CoAME8996396443760C033455.95-
Methylcrotonyl-CoA 4082-Methylcrotonoyl-CoAME8996406443760C033455.96-
Methylmalonic 55Methylmalonic acidME899492487C021705.99-
Methylmalonic 73Methylmalonic acidME899493487C021705.99-
Mannose 95MannoseME89955318950C001596.04-
Glycerol 1-phosphate 79sn-Glycero-3-phosphateME899533--6.06-
Mannose 59MannoseME89955218950C001596.06-
Formyl-CoA 79-ME8996323082032C007986.13-
Formyl-CoA 408-ME8996313082032C007986.14-
Coenzyme A 408Coenzyme AME89962887642C000106.19-
Coenzyme A 79Coenzyme AME89962787642C000106.19-
Glucose 89GlucoseME8995515793C000316.2-
Glutamic 102Glutamic acidME89951633032C000256.21-
Glutamic 128Glutamic acidME89951733032C000256.21-
Glucose 59GlucoseME8995475793C000316.22-
Glucose 71GlucoseME8995485793C000316.22-
EDTA 273Edetic acidME8995876049C002846.3-
Glycerol 2-phosphate 79sn-Glycero-2-phosphateME8995342526C029796.33-
N-Acetyl-L-aspartic 88-ME89953965065C010426.34-
Taurine 80TaurineME8994951123C002456.34-
N-Acetyl-L-aspartic 156-ME89954065065C010426.35-
Aspartic 115Aspartic acidME8995075960C00046.47-
Aspartic 88Aspartic acidME8995065960C00046.47-
Glycerol 3-phosphate 79sn-Glycero-3-phosphateME899535439162C000936.56-
Asparagine 113AsparagineME8995036267C001526.64-
Succinic 73Succinic acidME8994901110C000426.65-
Succinic 99Succinic acidME8994911110C000426.65-
UDP-N-acetyl-D-glucosamine 79UDP-N-acetylglucosamineME899615445675C000436.68-
Malonic 59Malonic acidME899480867C003836.71-
Itaconic 85Itaconic acidME899500811C004906.73-
DHAP 79Dihydroxyacetone phosphateME899531668C001116.74-
DHAP 97Dihydroxyacetone phosphateME899532668C001116.74-
Fructose-1,6-bisphosphate 97Fructose 1,6-bisphosphateME89959110267C053786.74-
Phosphocreatine 79PhosphocreatineME8995699548602C023056.75-
Fructose-1,6-bisphosphate 177Fructose 1,6-bisphosphateME89959210267C053786.76-
Itaconic 41Itaconic acidME899501811C004906.79-
Ketoglutaric 572-Oxoglutaric acidME89951451C000266.86-
Ketoglutaric 1012-Oxoglutaric acidME89951351C000266.87-
Sucrose 89SucroseME8995945988C000896.94-
Cellobiose 161CellobioseME89959310712C001856.96-
Trehalose 59TrehaloseME8995957427C010836.98-
Citrulline 131CitrullineME8995419750C003277-
dGDP 79dGDPME899608135398595C003617-
Ascorbic 157-ME89954254670067C000727.09-
Cystine 120CystineME89957567678C004917.1-
HMG-CoA 4263-Hydroxy-3-methylglutaryl-CoAME899645445127C003567.1-
Ascorbic 79-ME89954354670067C000727.11-
Cystine 74CystineME89957667678C004917.11-
Ethanolamine phosphate 63PhosphoethanolamineME8995111015C003467.18-
Ethanolamine phosphate 79PhosphoethanolamineME8995101015C003467.19-
Glucose 1-phosphate 79Glucose 1-phosphateME89958165533C001037.2-
Homocysteic 80Homocysteic acidME899557177491C165117.2-
Malic 115Malic acidME899508222656C001497.21-
Malic 71Malic acidME899509222656C001497.21-
Fumaric 71Fumaric acidME899486444972C001227.22-
Glucose 1-phosphate 151Glucose 1-phosphateME89958265533C001037.22-
Mevalonate pyrophosphate 79-ME899588439418C011437.24-
HMG-CoA 4083-Hydroxy-3-methylglutaryl-CoAME899644445127C003567.27-
UDP-glucose 273UDP-glucoseME8996148629C000297.42-
UDP-glucose 323UDP-glucoseME8996138629C000297.42-
Succinyl-CoA 408Succinyl-CoAME89964392133C000917.46-
alpha-Cyclodextrin 161-ME899647444913D088467.47-
FAICAR 79FAICARME899602166760C047347.55-
Folic 311Folic acidME899611135398658C005047.57-
GMP 79GMPME899601135398631C001447.57-
myo-Inositol 161Myo-inositolME899549892C001377.57-
O-Phospho-L-serine 97PhosphoserineME89955868841C010057.58-
O-Phospho-L-serine 79PhosphoserineME89955968841C010057.62-
UDP 111UDPME8996056031C000157.7-
UDP 79UDPME8996066031C000157.71-
Glucose 6-phosphate 139Glucose 6-phosphateME8995845958C000927.73-
Glucose 6-phosphate 97Glucose 6-phosphateME8995835958C000927.73-
NADP+ 134NADPME8996235886C000067.75-
NADP+ 408NADPME8996245886C000067.75-
NADP+ 620NADPME8996225886C000067.75-
Malonyl-CoA 408Malonyl-CoAME899641644066C000837.81-
Malonyl-CoA 426Malonyl-CoAME899642644066C000837.81-
Oxaloacetic 87Oxaloacetic acidME899502970C000367.9-
GSSG 179Oxidized glutathioneME89961765359C001277.96-
GSSG 306Oxidized glutathioneME89961665359C001277.96-
CDPCDPME8996046132C001128.02-
3PGA 973-Phosphoglyceric acidME899560439183C001978.1-
cis-Aconitic 111cis-Aconitic acidME899538643757C004178.1-
NADPH 408NADPHME8996255884C000058.12-
NADPH 328NADPHME8996265884C000058.15-
Oxalic 61Oxalic acidME899476971C002098.27-
PEP 79Phosphoenolpyruvic acidME8995281005C000748.34-
cis-Aconitic 85cis-Aconitic acidME899537643757C004178.48-
UTP 79UTPME8996126133C000758.59-
Citric 87Citric acidME899561311C001588.62-
Citric/Isocitric 111Citric acid/Isocitric acidME899564311C001588.63-
Citric/Isocitric 173Citric acid/Isocitric acidME899565311C001588.85-
Isocitric 117Isocitric acidME8995631198C003118.88-
Isocitric 73Isocitric acidME8995621198C003118.88-
Tartrazine 2- 211-ME899572164825C075749.86-
alpha-Cyclodextrin 101-ME899648444913D08846--
Maleic 27Maleic acidME899488444266C01384--
Pemetrexed 321-ME899610135410875D07472--


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
Ne_Ne-Dimethyllysine 84-ME899726193344-10.63-
Asymmetric dimethylarginine 70DimethylarginineME899742123831C0362610.85-
N,N,N-Trimethyllysine 84N-6-TrimethyllysineME899734440120C0379311.02-
Ornithine 70OrnithineME8997046262C0007711.84-
N-epsilon-Methyllysine 144N(6)-MethyllysineME899718164795C0272811.96-
Ethanolamine 29EthanolamineME899655700C0018912.25-
Ethanolamine 44EthanolamineME899654700C0018912.25-
Lysine 84LysineME8997125962C0004712.56-
Arginine 157ArginineME8997256322C0006213.21-
Arginine 70ArginineME8997246322C0006213.21-
Rotenone 213RotenoneME8997866758C075931.43-
TVB-3166 116-ME89978372947731-1.44-
TVB-3166 342-ME89978472947731-1.45-
VY-3-135 355-ME899797--1.45-
GSK2194069 344-ME89979567376285-1.49-
Puro Heavy 121-ME899807439530C016101.5-
VY-3-135 412-ME899796--1.5-
VY-7-137 233-ME899813--1.5-
O-Erucioyl-L-carnitine 85-ME8998086441570-1.52-
O-Paullinoyl-L-carnitine 85-ME89980471464507-1.52-
O-Stearoylcarnitine 85CAR 18:0ME8997943006797-1.52-
VY-7-137 508-ME899812--1.52-
Cerulenin 207CeruleninME8997515282054C120581.53-
O-Oleoylcarnitine 85CAR 18:1ME89979146907933-1.53-
Cerulenin 89CeruleninME8997525282054C120581.55-
Caffeine 138CaffeineME8997402519C074811.56-
O-Palmitoylcarnitine 85CAR 16:0ME89978811953816C029901.56-
TVB-2640 412-ME89980066548316-1.56-
O-Palmitoleoylcarnitine 85CAR 16:1ME899787156908005-1.57-
O-Acyl(17:1)carnitine 85CAR 17:1ME899789--1.59-
O-Margaroylcarnitine 85CAR 17:0ME899790145720489-1.6-
O-Myristoleoylcarnitine 85CAR 14:1ME89978153477791-1.6-
O-Myristoylcarnitine 85CAR 14:0ME89978253477791-1.6-
AZD3965 413-ME899811--1.62-
Diethylsuccinate 101-ME89972331249-1.62-
O-Pentadecyloylcarnitine 85CAR 15:0ME89978593684-1.63-
Myristoyl-CoA 428Myristoyl-CoAME89983011966124C025931.64-
O-Lauroylcarnitine 85CAR 12:0ME899778168381-1.64-
O-Lauroleoylcarnitine 85CAR 12:1ME899777156961751-1.65-
O-Tridecyloylcarnitine 85CAR 13:0ME8997803072472-1.67-
O-Caprylcarnitine 85CAR 10:0ME89977311953821C032991.68-
O-Undecyloylcarnitine 85CAR 11:0ME89977442294-1.68-
Octanoyl-CoA 428Octanoyl-CoAME899829445344C019441.69-
Tris 56-ME8996816503C071821.69-
Dimethylmalonate 101Dimethylmalonic acidME8997007943-1.7-
LW6 180-ME89979916124726-1.7-
O-Caprylylcarnitine 85CAR 8:0ME89976911953814C028381.7-
N-Acetyl-L-methionine 144N-AcetylmethionineME899738448580C027121.71-
O-Pelargonylcarnitine 85CAR 9:0ME89977042281-1.71-
Fasnall 218-ME89977616230362-1.72-
Kynurenic 162Kynurenic acidME8997363845C017171.72-
Kynurenic 144 POSKynurenic acidME8997353845C017171.73-
O-Caproylcarnitine 85CAR 6:0ME8997633246938-1.74-
Caffeine 135CaffeineME8997412519C074811.75-
N-Acetyl-L-methionine 133N-AcetylmethionineME899739448580C027121.75-
Biotin 209 POSBiotinME899760171548C001201.88-
O-Valerylcarnitine 85CAR 5:0ME8997616426903-1.92-
O-Enanthylcarnitine 85CAR 7:0ME89976742265-1.95-
LW6 135-ME89979816124726-2.02-
DMSO 64Dimethyl sulfoxideME899660679C111432.3-
Biotin 227BiotinME899759171548C001202.31-
Niaciamide 80NiacinamideME899682936C001532.53-
O-Propionylcarnitine 85CAR 3:0ME8997494485C030172.53-
Thymine 84ThymineME8996881135C001782.53-
Niaciamide 106NiacinamideME899683936C001532.54-
Thymidine 127ThymidineME8997575789C002142.54-
Uracil 70UracilME8996701174C001062.55-
Doxycycline 321DoxycyclineME89980354671203C069732.61-
Imidazole 42ImidazoleME899656795C015892.61-
Picolinic/Nicotinic 78 POS-ME8996841018C101642.61-
Penicillin G 289 POSPenicillin GME8997755904C055512.62-
Picolinic 96Picolinic acidME8996851018C101642.62-
Pantothenic 202Pantothenic acidME8997506613C008642.63-
Pyridoxine 134PyridoxineME8997221054C003142.68-
Pyridoxine 152PyridoxineME8997211054C003142.69-
O-Butyrylcarnitine 85CAR 4:0ME899756213144C028622.88-
Adenine 119AdenineME899705190C001473.33-
Citraconic 113Citraconic acidME899691643798C022263.36-
Pyroglutamic 84Pyroglutamic acidME8996897405C018793.53-
Hypoxanthine 110HypoxanthineME899706135398638C002623.79-
Hypoxanthine 67HypoxanthineME899707135398638C002623.79-
pABA 120p-Aminobenzoic acidME899708978C005683.79-
Deoxycytidine 112DeoxycytidineME89975513711C008813.95-
Trimethylamine N-oxide 59Trimethylamine N-oxideME8996591145C011043.97-
Urea 44UreaME8996531176C000864.05-
O-Acetylcarnitine 145CAR 2:0ME8997447045767C025714.06-
O-Acetylcarnitine 85CAR 2:0ME8997437045767C025714.06-
Leucine 27LeucineME8996996106C001234.08-
Leucine 43LeucineME8996986106C001234.08-
Kynurenine 94KynurenineME899747846C017184.17-
Kynurenine 164KynurenineME899748846C017184.18-
Inosine 137InosineME899766135398641C002944.24-
Betaine 58BetaineME899676247C007194.25-
Cyanocobalamin 147CyanocobalaminME8998205311498C028234.26-
Creatinine 86CreatinineME899671588C007914.27-
Cyanocobalamin 457CyanocobalaminME8998215311498C028234.29-
Isoleucine 58IsoleucineME8996976306C004074.32-
Isoleucine 69IsoleucineME8996966306C004074.32-
4-Imidazoleacetic 54-ME89968796215C028354.33-
4-Imidazoleacetic 81 POS-ME89968696215C028354.33-
Deoxyguanosine 152DeoxyguanosineME899765135398592C003304.38-
Methionine 104MethionineME8997136137C000734.49-
Methionine 61MethionineME8997146137C000734.49-
3-Ureidopropionic 61-ME899702111C026424.51-
3-Ureidopropionic 90 POS-ME899701111C026424.59-
Tryptophan 118TryptophanME8997466305C000784.61-
Tryptophan 146TryptophanME8997456305C000784.61-
O-Formyl-L-carnitine 145-ME899737--4.62-
Cytidine 112CytidineME8997586175C004754.74-
Methotrexate 308MethotrexateME899805126941C019374.75-
N,N-Dimethylglycine 58DimethylglycineME899667673C010264.79-
Methotrexate 134MethotrexateME899806126941C019374.82-
Pipecolinic 84-ME899690849C004084.91-
Adenosylcobalamin 147AdenosylcobalaminME89982270678541C001944.95-
Valine 72ValineME8996736287C001834.95-
Adenosylcobalamin 341AdenosylcobalaminME89982370678541C001944.96-
Valine 55ValineME8996746287C001834.96-
Proline 70ProlineME899672145742C001485.14-
N-epsilon-Acetyllysine 126N6-AcetyllysineME89973392832C027275.21-
O-Malonylcarnitine 85CAR DC3:0ME89976291825606-5.21-
Guanine 135GuanineME899715135398634C002425.23-
Guanosine 152GuanosineME899768135398635C003875.23-
Carnitine 102CarnitineME89972010917C003185.35-
Carnitine 85CarnitineME89971910917C003185.36-
Tyrosine 123TyrosineME8997316057C000825.39-
Tyrosine 136TyrosineME8997306057C000825.39-
Acetyl-CoA 303Acetyl-CoAME899825444493C000245.4-
Acetyl-CoA 428Acetyl-CoAME899826444493C000245.41-
NADH 348NADHME899817439153C000045.71-
NADH 649NADHME899816439153C000045.73-
AMP 136AMPME8997796083C000205.76-
Sarcosine 44SarcosineME8996631088C002135.86-
Sarcosine 30SarcosineME8996641088C002135.87-
Cysteine PAR POSCysteineME8996795862C000975.89-
NAD+ 524NADME8998145892C000065.94-
NAD+ 428NADME8998155892C000065.95-
GSH 290GlutathioneME899772124886C000515.96-
GSH 76GlutathioneME899771124886C000515.96-
Cysteine 76CysteineME8996805862C000976.03-
Threonine 102ThreonineME8996786288C001886.07-
Threonine 74 POSThreonineME8996776288C001886.07-
trans-4-Hydroxyproline 68trans-4-HydroxyprolineME8996925810C011576.16-
Formyl-CoA 428-ME8998243082032C007986.17-
6-Aminocaproic 696-Aminocaproic acidME899695564C023786.25-
Creatine 114CreatineME899694586C003006.25-
Creatine 90CreatineME899693586C003006.26-
N-alpha-Acetyllysine 84N(2)-AcetyllysineME899732192590C129896.27-
Glucosamine 84GlucosamineME899729439213C003296.3-
Alanine 42AlanineME8996625950C000416.31-
Alanine 44AlanineME8996615950C000416.32-
Histidine 83HistidineME8997176274C001356.41-
Histidine 110 POSHistidineME8997166274C001356.42-
Glutamine 101GlutamineME8997115961C000646.53-
Glutamine 84GlutamineME8997105961C000646.53-
Asparagine 87AsparagineME8997036267C001526.63-
beta-Alanine 30beta-AlanineME899665239C000996.69-
GABA 87gamma-Aminobutyric acidME899666119C003346.7-
5-Aminovaleric 83-ME899675138C004316.74-
Glycine 30GlycineME899657750C000376.89-
Glycine 48GlycineME899658750C000376.89-
Carnosine 110CarnosineME899753439224C003866.91-
Carnosine 210CarnosineME899754439224C003866.92-
Serine 60SerineME8996695951C000656.93-
ADP 97ADPME8997936022C000087-
Citrulline 113CitrullineME8997289750C003277-
Citrulline 70CitrullineME8997279750C003277-
ADP 136ADPME8997926022C000087.02-
Acetylcholine 87AcetylcholineME899709187C019967.59-
Folic 295Folic acidME899802135398658C005047.59-
Malonyl-CoA 303Malonyl-CoAME899827644066C000837.81-
Malonyl-CoA 428Malonyl-CoAME899828644066C000837.81-
ATP 232ATPME8998105957C000027.91-
ATP 136ATPME8998095957C000027.93-
Methylcobalamin 147MethylcobalaminME899818123134034C064109.09-
Methylcobalamin 636MethylcobalaminME899819123134034C064109.15-
Choline 60CholineME899668305C001149.55-
Thiamine 122ThiamineME8997641130C003789.84-
TVB-2640 386-ME89980166548316---


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