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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
2-Hydroxybutyric 172-Hydroxybutyric acidME89797911266C059842.42-
2-Hydroxybutyric 572-Hydroxybutyric acidME897980--2.48-
Methylcrotonyl-CoA 4082-Methylcrotonoyl-CoAME8980706443760C033456.11-
Methylcrotonyl-CoA 792-Methylcrotonoyl-CoAME8980696443760C033456.12-
Ketoglutaric 1012-Oxoglutaric acidME89799851C000267.15-
Ketoglutaric 572-Oxoglutaric acidME89799951C000267.15-
HMG-CoA 4083-Hydroxy-3-methylglutaryl-CoAME898075445127C003567.22-
HMG-CoA 4263-Hydroxy-3-methylglutaryl-CoAME898076445127C003567.23-
3-Hydroxybutyric 173-Hydroxybutyric acidME897978441C010892.95-
3-Hydroxybutyric 593-Hydroxybutyric acidME897981441C010892.92-
Acetic PARAcetic acidME897970176C000333.35-
Acetyl-CoA 408Acetyl-CoAME898064444493C000245.57-
Acetyl-CoA 461Acetyl-CoAME898065444493C000245.57-
Acetyl-CoA 79Acetyl-CoAME898063444493C000245.57-
Alanine NEG PARAlanineME8979735950C000416.32-
Arginine 131ArginineME8980096322C0006212.96-
Arginine 156ArginineME8980106322C0006212.96-
Asparagine 113AsparagineME8979936267C001526.72-
Aspartic 115Aspartic acidME8979955960C00046.65-
Aspartic 88Aspartic acidME8979945960C00046.64-
Butyric PARButyric acidME897974264C002462.57-
Butyryl-CoA 408Butyryl-CoAME898068122283C001364.63-
Butyryl-CoA 79Butyryl-CoAME898067122283C001364.67-
Cholic 343Cholic acidME898045221493C006951.59-
Citraconic 85Citraconic acidME897991643798C022262.66-
Citric 111Citric acidME898023311C001588.86-
Citric 173Citric acidME898024311C001588.99-
Citrulline 131CitrullineME8980119750C003277.06-
Coenzyme A 408Coenzyme AME89805887642C000106.35-
Coenzyme A 79Coenzyme AME89805787642C000106.35-
Cysteine PARCysteineME8979885862C000976.23-
Cystine 120CystineME89802867678C004917.23-
Cystine 74CystineME89802967678C004917.23-
FAD 408FADME898060643975C000164.77-
FAD 79FADME898059643975C000164.76-
Folic 311Folic acidME898048135398658C005047.79-
Formic PARFormic acidME897969284C000583.72-
Fructose-1,6-bisphosphate 177Fructose 1,6-bisphosphateME89804010267C053786.96-
Fructose-1,6-bisphosphate 97Fructose 1,6-bisphosphateME89803910267C053786.95-
Fumaric 71Fumaric acidME897982444972C001227.48-
Glucose 59GlucoseME8980145793C000316.27-
Glucose 71GlucoseME8980155793C000316.26-
Glucose 6-phosphate 139Glucose 6-phosphateME8980355958C000927.94-
Glucose 6-phosphate 97Glucose 6-phosphateME8980345958C000927.94-
Glutamic acid 102Glutamic acidME89800033032C000256.36-
Glutamic acid 128Glutamic acidME89800133032C000256.37-
HEPES 107HEPESME89802723831-3.81-
HEPES 80HEPESME89802623831-3.76-
Lactic 71Lactic acidME897976612C014323.05-
Lactic 87Lactic acidME897975612C014323.05-
Lauroyl-CoA 408Lauroyl-CoAME898077165436C018322.82-
Maleic 27Maleic acidME897984444266C013843.23-
Maleic 71Maleic acidME897983444266C013843.24-
Malic 115Malic acidME897996222656C001497.47-
Malic 71Malic acidME897997222656C001497.47-
Malonic 59Malonic acidME897977867C003836.89-
Malonyl-CoA 408Malonyl-CoAME898071644066C000837.96-
Malonyl-CoA 426Malonyl-CoAME898072644066C000837.96-
Mannitol 89MannitolME8980196251C003925.8-
Mannose 59MannoseME89801718950C001596.24-
Mannose 95MannoseME89801818950C001595.79-
Methylmalonic 55Methylmalonic acidME897987487C021706.13-
Methylmalonic 73Methylmalonic acidME898084487C021706.13-
myo-Inositol 161Myo-inositolME898016892C001377.6-
Myristic PARMyristic acidME89802511005C064241.39-
Myristoyl-CoA 408Myristoyl-CoAME89808011966124C025932.81-
NAD+ 273NADME8980525892C000066.1-
NAD+ 540NADME8980515892C000066.1-
NADH 335NADHME898054439153C000045.95-
NADH 408NADHME898053439153C000045.95-
NADPH 328NADPHME8980565884C000058.38-
NADPH 408NADPHME8980555884C000058.38-
Octanoyl-CoA 79Octanoyl-CoAME898074445344C019447.2-
Oleoyl-CoA (18:1) 79Oleoyl-CoAME8980835497111C005102.81-
Oxaloacetic 87Oxaloacetic acidME897992970C000367.98-
GSSG 179Oxidized glutathioneME89805065359C001278.17-
GSSG 306Oxidized glutathioneME89804965359C001278.17-
Palmitic PARPalmitic acidME898033985C002491.38-
Palmitoleic PARPalmitoleic acidME898032445638C083621.39-
Palmitoleyl-CoA (16:1) 79Palmitoleoyl-CoAME89808125244394C210722.81-
Palmitoyl-CoA (16:0) 79Palmitoyl-CoAME898082644109C001542.81-
Penicillin G 289Penicillin GME8980385904C055512.77-
Phenol Red 195PhenolsulfonphthaleinME8980434766C126001.67-
Phenol Red 93PhenolsulfonphthaleinME8980424766C126001.66-
Phenylalanine 147PhenylalanineME8980036140C000793.84-
Phenylalanine 72PhenylalanineME8980046140C000793.84-
O-Phospho-L-serine 79PhosphoserineME89802268841C010057.78-
O-Phospho-L-serine 97PhosphoserineME89802168841C010057.78-
Propionic PARPropionic acidME8979711032C001633.04-
Propionyl-CoA 408Propionyl-CoAME89806692753C001005.08-
Pyroglutamic 82Pyroglutamic acidME8979907405C018793.6-
Pyruvic 32Pyruvic acidME8979721060C000222.77-
Riboflavin 243RiboflavinME898044493570C002553.06-
Glycerol 2-phosphate 127sn-Glycero-2-phosphateME8980082526C029796.53-
Glycerol 2-phosphate 79sn-Glycero-2-phosphateME8980072526C029796.75-
Sorbitol 71SorbitolME8980205780C007945.8-
Stearic PARStearic acidME8980365281C015301.38-
Succinic 73Succinic acidME8979851110C000426.87-
Succinic 99Succinic acidME8979861110C000426.87-
Succinyl-CoA 408Succinyl-CoAME89807392133C000917.6-
Taurine 80TaurineME8979891123C002456.45-
Trehalose 59TrehaloseME8980417427C010837.1-
Uric 124Uric acidME8980051175C003665.24-
Uric 96Uric acidME8980061175C003665.24-
Uridine 111UridineME8980306029C002993.73-
Xanthine 108XanthineME8980021188C003854.32-
Xanthosine 151XanthosineME89803764959C017625.01-
aCD 101-ME898079444913D08846--
aCD 161-ME898078444913D088467.27-
Ascorbic 157-ME89801254670067C000726.58-
Ascorbic 79-ME89801354670067C000727.34-
C75 209-ME8980314248455-1.46-
Formyl-CoA 408-ME8980623082032C007986.22-
Formyl-CoA 79-ME8980613082032C007986.21-
Pemetrexed 297-ME898046135410875D074725.75-
Pemetrexed 321-ME898047135410875D074725.82-


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
Acetyl-CoA 303Acetyl-CoAME898203444493C000245.57-
Acetyl-CoA 428Acetyl-CoAME898204444493C000245.57-
Adenine 119AdenineME898114190C001473.37-
Adenosylcobalamin 147AdenosylcobalaminME89820070678541C001945.04-
Adenosylcobalamin 341AdenosylcobalaminME89820170678541C001944.99-
ADP 136ADPME8981736022C000087.37-
ADP 97ADPME8981746022C000087.37-
Alanine 30AlanineME8982095950C000416.31-
Alanine 44AlanineME8982085950C000416.33-
Alanine PAR POSAlanineME8980895950C000416.34-
Asparagine 87AsparagineME8981126267C001526.72-
ATP 136ATPME8981885957C000028.15-
ATP 232ATPME8981895957C000028.15-
Beta-Alanine 30beta-AlanineME898210239C000996.7-
Biotin 227BiotinME898144171548C001202.83-
O-Lauroyl-L-carnitine 85CAR 12:0ME898160168381-1.62-
O-Myristoyl-L-carnitine 85CAR 14:0ME89816353477791-1.6-
O-Palmitoyl-L-carnitine 85CAR 16:0ME89816911953816C029901.58-
O-Acetyl-L-carnitine 145CAR 2:0ME8981347045767C025714.13-
O-Acetyl-L-carnitine 85CAR 2:0ME8981337045767C025714.13-
O-Propionyl-L-carnitine 85CAR 3:0ME898137188824-3.48-
O-Butyryl-L-carnitine 85CAR 4:0ME898141213144C028622.98-
Carnitine 102CarnitineME89812510917C003185.41-
Carnitine 85CarnitineME89812410917C003185.41-
Cerulenin 207CeruleninME8981395282054C120581.56-
Cerulenin 89CeruleninME8981405282054C120581.56-
Choline 60CholineME898093305C0011410.18-
4-Hydroxyproline 68cis-4-HydroxyprolineME8981085810C011576.23-
Citraconic 113Citraconic acidME898107643798C022262.78-
Citrulline 113CitrullineME8981299750C003277.06-
Citrulline 70CitrullineME8981289750C003277.06-
Cyanocobalamin 147CyanocobalaminME8981985311498C028234.33-
Cyanocobalamin 457CyanocobalaminME8981995311498C028234.38-
Cysteine 76CysteineME8981025862C000976.18-
Cysteine PAR POSCysteineME8981015862C000976.19-
Cytidine 112CytidineME8981436175C004754.81-
Dimethylmalonate 101Dimethylmalonic acidME8981117943-1.59-
Doxycycline 321DoxycyclineME89818254671203C069732.72-
Ethanolamine 29EthanolamineME898087700C0018911.79-
Ethanolamine 44EthanolamineME898086700C0018911.79-
Folic 295Folic acidME898181135398658C005047.78-
GABA 87gamma-Aminobutyric acidME898092119C003346.72-
Glutamine 130GlutamineME8981175961C000646.58-
Glutamine 84GlutamineME8981165961C000646.58-
GSH 290GlutathioneME898154124886C000516.15-
GSH 76GlutathioneME898153124886C000516.15-
Glycine PAR POSGlycineME898088750C000376.93-
Guanine 135GuanineME898121135398634C002424.99-
Guanosine 152GuanosineME898150135398635C003875.31-
Histidine 110 POSHistidineME8981226274C001358.36-
Histidine 83HistidineME8981236274C001358.39-
Inosine 137InosineME898148135398641C002944.32-
Isoleucine 69IsoleucineME8981096306C004074.4-
Leucine 86LeucineME8981106106C001234.33-
Lysine 84LysineME8981185962C0004712.34-
Malonyl-CoA 303Malonyl-CoAME898205644066C000837.96-
Malonyl-CoA 428Malonyl-CoAME898206644066C000837.96-
Methionine 104MethionineME8981196137C000734.61-
Methionine 61MethionineME8981206137C000734.61-
Methotrexate 134MethotrexateME898185126941C019374.78-
Methotrexate 308MethotrexateME898184126941C019374.86-
Methylcobalamin 147MethylcobalaminME898196123134034C064109.13-
Methylcobalamin 636MethylcobalaminME898197123134034C06410--
Myristoyl-CoA 428Myristoyl-CoAME89820711966124C025932.82-
NAD+ 428NADME8981935892C000066.1-
NAD+ 524NADME8981925892C000066.1-
NADH 348NADHME898195439153C000045.95-
NADH 649NADHME898194439153C000045.95-
Niaciamide 106NiacinamideME898104936C001532.78-
Niaciamide 80NiacinamideME898103936C001532.78-
Ornithine 70OrnithineME8981136262C0007711.7-
pABA 120p-Aminobenzoic acidME898115978C005683.82-
Pantothenic 202Pantothenic acidME8981386613C008642.79-
Penicillin G 289 POSPenicillin GME8981575904C055512.78-
Proline 70ProlineME898096145742C001485.19-
Pyridoxine 134PyridoxineME8981271054C003142.8-
Pyridoxine 152PyridoxineME8981261054C003142.8-
Pyroglutamic 84Pyroglutamic acidME8981067405C018793.61-
Rotenone 213RotenoneME8981676758C075931.55-
Sarcosine 30SarcosineME8980911088C002135.9-
Sarcosine 44SarcosineME8980901088C002135.91-
Serine 60SerineME8980945951C000657-
Thiamine 122ThiamineME8981471130C0037810.35-
Threonine 102ThreonineME8981006288C001886.18-
Threonine 74 POSThreonineME8980996288C001886.17-
Thymidine 127ThymidineME8981425789C002142.78-
Thymine 84ThymineME8981051135C001782.77-
Tryptophan 118TryptophanME8981366305C000784.72-
Tryptophan 146TryptophanME8981356305C000784.72-
Tyrosine 123TyrosineME8981316057C000825.51-
Tyrosine 136TyrosineME8981306057C000825.51-
Uracil 70UracilME8980951174C001062.71-
Urea 44UreaME8980851176C000864.1-
Valine 55ValineME8980986287C001835.01-
Valine 72ValineME8980976287C001835.01-
Fasnall 218-ME89815816230362-1.74-
Formyl-CoA 428-ME8982023082032C007986.25-
GSK2194069 344-ME89817667376285-1.57-
O-Acyl(17:1)-L-carnitine 85-ME898170--1.58-
O-Caproyl-L-carnitine 85-ME8981463246938-3.41-
O-Capryl-L-carnitine 85-ME89815511953821C032991.6-
O-Caprylyl-L-carnitine 85-ME89815111953814C028381.63-
O-Enanthyl-L-carnitine 85-ME898149129661765-2.2-
O-Erucioyl-L-carnitine 85-ME8981876441570-1.55-
O-Formyl-L-carnitine 145-ME898132--4.72-
O-Lauroleoyl-L-carnitine 85-ME89815988861956-1.62-
O-Margaroyl-L-carnitine 85-ME898171168310572-1.55-
O-Myristoleoyl-L-carnitine 85-ME898162129691961-1.62-
O-Oleoyl-L-carnitine 85-ME89817246907933-1.55-
O-Palmitoleoyl-L-carnitine 85-ME898168156908005-1.58-
O-Paullinoyl-L-carnitine 85-ME89818371464507-1.56-
O-Pelargonyl-L-carnitine 85-ME898152145722200-1.61-
O-Pentadecyloyl-L-carnitine 85-ME89816688333694-1.6-
O-Stearoyl-L-carnitine 85-ME89817552922056-1.55-
O-Tridecyloyl-L-carnitine 85-ME8981613072472-1.62-
O-Undecyloyl-L-carnitine 85-ME898156129884376-1.5-
O-Valeryl-L-carnitine 85-ME89814516226475-2.79-
Puro Heavy 121-ME898186439530C016101.44-
TVB-2640 386-ME89818066548316-1.39-
TVB-2640 412-ME89817966548316-1.48-
TVB-3166 116-ME89816472947731-1.59-
TVB-3166 342-ME89816572947731-1.59-
VY-3-135 355-ME898178--1.56-
VY-3-135 412-ME898177--1.55-
VY-7-137 233-ME898191--1.58-
VY-7-137 508-ME898190--1.55-


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