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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
Arginine 156ArginineME8982526322C0006212.9-
Arginine 131ArginineME8982516322C0006212.91-
Palmitic PARPalmitic acidME898275985C002491.38-
Palmitoleic PARPalmitoleic acidME898274445638C083621.38-
Stearic PARStearic acidME8982785281C015301.39-
Myristic PARMyristic acidME89826711005C064241.41-
C75 209-ME8982734248455-1.46-
Cholic 343Cholic acidME898287221493C006951.59-
Phenol Red 195PhenolsulfonphthaleinME8982854766C126001.74-
Phenol Red 93PhenolsulfonphthaleinME8982844766C126001.74-
2-Hydroxybutyric 172-Hydroxybutyric acidME89822111266C059842.44-
2-Hydroxybutyric 572-Hydroxybutyric acidME898222--2.5-
Penicillin G 289Penicillin GME8982805904C055512.56-
Butyric PARButyric acidME898216264C002462.67-
Pyruvic 32Pyruvic acidME8982141060C000222.69-
Oleoyl-CoA (18:1) 79Oleoyl-CoAME8983255497111C005102.78-
Palmitoyl-CoA (16:0) 79Palmitoyl-CoAME898324644109C001542.78-
Myristoyl-CoA 408Myristoyl-CoAME89832211966124C025932.79-
Palmitoleyl-CoA (16:1) 79Palmitoleoyl-CoAME89832325244394C210722.79-
Lauroyl-CoA 408Lauroyl-CoAME898319165436C018322.8-
3-Hydroxybutyric 593-Hydroxybutyric acidME898223441C010892.94-
3-Hydroxybutyric 173-Hydroxybutyric acidME898220441C010892.95-
Propionic PARPropionic acidME8982131032C001632.99-
Riboflavin 243RiboflavinME898286493570C002553-
Lactic 71Lactic acidME898218612C014323.2-
Lactic 87Lactic acidME898217612C014323.2-
Citraconic 85Citraconic acidME898233643798C022263.29-
Maleic 71Maleic acidME898225444266C013843.29-
Acetic PARAcetic acidME898212176C000333.42-
Pyroglutamic 82Pyroglutamic acidME8982327405C018793.7-
Uridine 111UridineME8982726029C002993.72-
Phenylalanine 147PhenylalanineME8982456140C000793.82-
Phenylalanine 72PhenylalanineME8982466140C000793.82-
Formic PARFormic acidME898211284C000583.84-
HEPES 80HEPESME89826823831-3.85-
HEPES 107HEPESME89826923831-3.88-
Xanthine 108XanthineME8982441188C003854.41-
Butyryl-CoA 79Butyryl-CoAME898309122283C001364.69-
Butyryl-CoA 408Butyryl-CoAME898310122283C001364.7-
FAD 79FADME898301643975C000164.9-
FAD 408FADME898302643975C000164.92-
Propionyl-CoA 408Propionyl-CoAME89830892753C001005.08-
Xanthosine 151XanthosineME89827964959C017625.13-
Uric 124Uric acidME8982471175C003665.32-
Uric 96Uric acidME8982481175C003665.43-
Acetyl-CoA 461Acetyl-CoAME898307444493C000245.55-
Acetyl-CoA 408Acetyl-CoAME898306444493C000245.56-
Acetyl-CoA 79Acetyl-CoAME898305444493C000245.58-
Pemetrexed 321-ME898289135410875D074725.7-
Pemetrexed 297-ME898288135410875D074725.74-
Mannose 95MannoseME89826018950C001595.79-
Sorbitol 71SorbitolME8982625780C007945.81-
Mannitol 89MannitolME8982616251C003925.83-
NADH 335NADHME898296439153C000045.97-
NADH 408NADHME898295439153C000045.97-
NAD+ 540NADME8982935892C000066.11-
NAD+ 273NADME8982945892C000066.12-
Methylcrotonyl-CoA 4082-Methylcrotonoyl-CoAME8983126443760C033456.14-
Methylcrotonyl-CoA 792-Methylcrotonoyl-CoAME8983116443760C033456.14-
Cysteine PARCysteineME8982305862C000976.19-
Mannose 59MannoseME89825918950C001596.23-
Methylmalonic 73Methylmalonic acidME898326487C021706.23-
Formyl-CoA 408-ME8983043082032C007986.24-
Formyl-CoA 79-ME8983033082032C007986.24-
Methylmalonic 55Methylmalonic acidME898229487C021706.24-
Glucose 59GlucoseME8982565793C000316.25-
Glucose 71GlucoseME8982575793C000316.25-
Coenzyme A 79Coenzyme AME89829987642C000106.31-
Coenzyme A 408Coenzyme AME89830087642C000106.32-
Alanine NEG PARAlanineME8982155950C000416.37-
Glutamic acid 102Glutamic acidME89824233032C000256.39-
Glutamic acid 128Glutamic acidME89824333032C000256.39-
Taurine 80TaurineME8982311123C002456.47-
Glycerol 2-phosphate 127sn-Glycero-2-phosphateME8982502526C029796.49-
Aspartic 115Aspartic acidME8982375960C00046.63-
Aspartic 88Aspartic acidME8982365960C00046.63-
Beta-Alanine PARbeta-AlanineME898327239C000996.63-
Asparagine 113AsparagineME8982356267C001526.72-
Glycerol 2-phosphate 79sn-Glycero-2-phosphateME8982492526C029796.76-
Succinic 73Succinic acidME8982271110C000426.89-
Succinic 99Succinic acidME8982281110C000426.89-
Malonic 59Malonic acidME898219867C003836.99-
Ascorbic 157-ME89825454670067C000727.03-
Citrulline 131CitrullineME8982539750C003277.06-
Ketoglutaric 572-Oxoglutaric acidME89824151C000267.14-
Trehalose 59TrehaloseME8982837427C010837.14-
Ketoglutaric 1012-Oxoglutaric acidME89824051C000267.15-
Fructose-1,6-bisphosphate 97Fructose 1,6-bisphosphateME89828110267C053787.18-
HMG-CoA 4083-Hydroxy-3-methylglutaryl-CoAME898317445127C003567.18-
HMG-CoA 4263-Hydroxy-3-methylglutaryl-CoAME898318445127C003567.18-
Cystine 74CystineME89827167678C004917.23-
Cystine 120CystineME89827067678C004917.24-
Fructose-1,6-bisphosphate 177Fructose 1,6-bisphosphateME89828210267C053787.37-
Ascorbic 79-ME89825554670067C000727.41-
Malic 115Malic acidME898238222656C001497.46-
Malic 71Malic acidME898239222656C001497.46-
Fumaric 71Fumaric acidME898224444972C001227.47-
aCD 101-ME898321444913D088467.49-
Succinyl-CoA 408Succinyl-CoAME89831592133C000917.55-
aCD 161-ME898320444913D088467.57-
myo-Inositol 161Myo-inositolME898258892C001377.61-
O-Phospho-L-serine 79PhosphoserineME89826468841C010057.76-
O-Phospho-L-serine 97PhosphoserineME89826368841C010057.77-
Folic 311Folic acidME898290135398658C005047.78-
Malonyl-CoA 408Malonyl-CoAME898313644066C000837.9-
Malonyl-CoA 426Malonyl-CoAME898314644066C000837.9-
Glucose 6-phosphate 139Glucose 6-phosphateME8982775958C000927.94-
Glucose 6-phosphate 97Glucose 6-phosphateME8982765958C000927.94-
NADPH 408NADPHME8982975884C000057.98-
Oxaloacetic 87Oxaloacetic acidME898234970C000367.98-
GSSG 179Oxidized glutathioneME89829265359C001278.17-
GSSG 306Oxidized glutathioneME89829165359C001278.17-
NADPH 328NADPHME8982985884C000058.33-
Citric 111Citric acidME898265311C001588.73-
Citric 173Citric acidME898266311C001588.79-
Maleic 27Maleic acidME898226444266C01384--
Octanoyl-CoA 79Octanoyl-CoAME898316445344C01944--


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
Choline 60CholineME898336305C0011410.13-
Thiamine 122ThiamineME8983901130C0037810.32-
Ornithine 70OrnithineME8983566262C0007711.62-
Ethanolamine 29EthanolamineME898330700C0018911.71-
Ethanolamine 44EthanolamineME898329700C0018911.73-
Lysine 84LysineME8983615962C0004712.3-
TVB-2640 386-ME89842366548316-1.44-
Puro Heavy 121-ME898429439530C016101.47-
Rotenone 213RotenoneME8984106758C075931.49-
TVB-2640 412-ME89842266548316-1.49-
VY-3-135 412-ME898420--1.53-
O-Erucioyl-L-carnitine 85-ME8984306441570-1.54-
O-Oleoyl-L-carnitine 85-ME89841546907933-1.55-
O-Stearoyl-L-carnitine 85-ME89841852922056-1.55-
Cerulenin 207CeruleninME8983825282054C120581.56-
Cerulenin 89CeruleninME8983835282054C120581.56-
O-Paullinoyl-L-carnitine 85-ME89842671464507-1.56-
VY-7-137 508-ME898433--1.56-
Dimethylmalonate 101Dimethylmalonic acidME8983547943-1.58-
GSK2194069 344-ME89841967376285-1.58-
O-Acyl(17:1)-L-carnitine 85-ME898413--1.58-
O-Margaroyl-L-carnitine 85-ME898414168310572-1.58-
O-Palmitoleoyl-L-carnitine 85-ME898411156908005-1.58-
O-Palmitoyl-L-carnitine 85CAR 16:0ME89841211953816C029901.58-
VY-3-135 355-ME898421--1.58-
O-Myristoleoyl-L-carnitine 85-ME898405129691961-1.61-
O-Myristoyl-L-carnitine 85CAR 14:0ME89840653477791-1.61-
O-Pentadecyloyl-L-carnitine 85-ME89840988333694-1.61-
TVB-3166 342-ME89840872947731-1.61-
O-Tridecyloyl-L-carnitine 85-ME8984043072472-1.64-
O-Lauroleoyl-L-carnitine 85-ME89840288861956-1.65-
TVB-3166 116-ME89840772947731-1.65-
VY-7-137 233-ME898434--1.65-
O-Capryl-L-carnitine 85-ME89839811953821C032991.66-
O-Lauroyl-L-carnitine 85CAR 12:0ME898403168381-1.66-
O-Caprylyl-L-carnitine 85-ME89839411953814C028381.67-
O-Pelargonyl-L-carnitine 85-ME898395145722200-1.67-
O-Undecyloyl-L-carnitine 85-ME898399129884376-1.7-
Fasnall 218-ME89840116230362-1.79-
O-Enanthyl-L-carnitine 85-ME898392129661765-2.17-
Uracil 70UracilME8983381174C001062.54-
Niaciamide 80NiacinamideME898346936C001532.55-
Doxycycline 321DoxycyclineME89842554671203C069732.56-
Thymidine 127ThymidineME8983855789C002142.56-
Penicillin G 289 POSPenicillin GME8984005904C055512.58-
O-Valeryl-L-carnitine 85-ME89838816226475-2.63-
Pyridoxine 134PyridoxineME8983701054C003142.68-
Pyridoxine 152PyridoxineME8983691054C003142.69-
Pantothenic 202Pantothenic acidME8983816613C008642.71-
Niaciamide 106NiacinamideME898347936C001532.75-
Thymine 84ThymineME8983481135C001782.77-
Myristoyl-CoA 428Myristoyl-CoAME89845011966124C025932.79-
Biotin 227BiotinME898387171548C001202.83-
Citraconic 113Citraconic acidME898350643798C022262.86-
O-Butyryl-L-carnitine 85CAR 4:0ME898384213144C028622.92-
Adenine 119AdenineME898357190C001473.32-
O-Propionyl-L-carnitine 85CAR 3:0ME898380188824-3.48-
pABA 120p-Aminobenzoic acidME898358978C005683.54-
O-Caproyl-L-carnitine 85-ME8983893246938-3.68-
Pyroglutamic 84Pyroglutamic acidME8983497405C018793.7-
Urea 44UreaME8983281176C000864.09-
O-Acetyl-L-carnitine 145CAR 2:0ME8983777045767C025714.13-
O-Acetyl-L-carnitine 85CAR 2:0ME8983767045767C025714.13-
Leucine 86LeucineME8983536106C001234.17-
Inosine 137InosineME898391135398641C002944.32-
Cyanocobalamin 147CyanocobalaminME8984415311498C028234.34-
Cyanocobalamin 457CyanocobalaminME8984425311498C028234.35-
Isoleucine 69IsoleucineME8983526306C004074.4-
Methionine 104MethionineME8983626137C000734.59-
Methionine 61MethionineME8983636137C000734.6-
Methotrexate 134MethotrexateME898428126941C019374.69-
Methotrexate 308MethotrexateME898427126941C019374.7-
O-Formyl-L-carnitine 145-ME898375--4.71-
Tryptophan 118TryptophanME8983796305C000784.71-
Tryptophan 146TryptophanME8983786305C000784.71-
Cytidine 112CytidineME8983866175C004754.81-
Adenosylcobalamin 341AdenosylcobalaminME89844470678541C001944.83-
Adenosylcobalamin 147AdenosylcobalaminME89844370678541C001944.84-
Guanine 135GuanineME898364135398634C002424.99-
Valine 72ValineME8983406287C001835.02-
Valine 55ValineME8983416287C001835.03-
Proline 70ProlineME898339145742C001485.2-
Guanosine 152GuanosineME898393135398635C003875.28-
Carnitine 102CarnitineME89836810917C003185.42-
Carnitine 85CarnitineME89836710917C003185.42-
Tyrosine 123TyrosineME8983746057C000825.54-
Tyrosine 136TyrosineME8983736057C000825.54-
Acetyl-CoA 303Acetyl-CoAME898446444493C000245.56-
Acetyl-CoA 428Acetyl-CoAME898447444493C000245.58-
Sarcosine 30SarcosineME8983341088C002135.95-
Sarcosine 44SarcosineME8983331088C002135.95-
NADH 348NADHME898438439153C000045.97-
NADH 649NADHME898437439153C000045.98-
NAD+ 428NADME8984365892C000066.12-
NAD+ 524NADME8984355892C000066.12-
Cysteine PAR POSCysteineME8983445862C000976.14-
GSH 76GlutathioneME898396124886C000516.14-
Cysteine 76CysteineME8983455862C000976.15-
GSH 290GlutathioneME898397124886C000516.16-
Threonine 102ThreonineME8983436288C001886.17-
Threonine 74 POSThreonineME8983426288C001886.17-
4-Hydroxyproline 68cis-4-HydroxyprolineME8983515810C011576.22-
Formyl-CoA 428-ME8984453082032C007986.23-
Alanine 30AlanineME8984525950C000416.34-
Alanine 44AlanineME8984515950C000416.37-
Alanine PAR POSAlanineME8983325950C000416.38-
Glutamine 130GlutamineME8983605961C000646.59-
Glutamine 84GlutamineME8983595961C000646.59-
Asparagine 87AsparagineME8983556267C001526.72-
Beta-Alanine 30beta-AlanineME898453239C000996.72-
GABA 87gamma-Aminobutyric acidME898335119C003346.73-
Glycine PAR POSGlycineME898331750C000376.93-
Histidine 83HistidineME8983666274C001356.93-
Serine 60SerineME8983375951C000656.99-
Citrulline 113CitrullineME8983729750C003277.06-
Citrulline 70CitrullineME8983719750C003277.06-
ADP 136ADPME8984166022C000087.37-
ADP 97ADPME8984176022C000087.37-
Folic 295Folic acidME898424135398658C005047.78-
Malonyl-CoA 428Malonyl-CoAME898449644066C000837.89-
Malonyl-CoA 303Malonyl-CoAME898448644066C000837.9-
ATP 232ATPME8984325957C000028.12-
ATP 136ATPME8984315957C000028.16-
Histidine 110 POSHistidineME8983656274C001358.37-
Methylcobalamin 147MethylcobalaminME898439123134034C064109.04-
Methylcobalamin 636MethylcobalaminME898440123134034C06410--


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