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Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
5-Methylcytosine5-MethylcytosineME727107----
citrullineCitrullineME727108----
Cysteine-glutathione disulphide-ME727109----
gamma-Butyrobetaine3-DehydroxycarnitineME727110----
Hyodeoxycholic acidHyodeoxycholic acidME727111----
Imidazoleacetic acidImidazoleacetic acidME727112----
N-Acetylcarnitine-ME727114----
N-acetyl-L-glutamineN-AcetylglutamineME727113----
N'-Methylnicotinamide-ME727115----
ornithineOrnithineME727116----
PipecolatePipecolic acidME727117----
PyridoxalPyridoxalME727118----
threonineThreonineME727119----
thymineThymineME727120----
TryptamineTryptamineME727121----
tryptophanTryptophanME727122----


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2'_3'-Anhydroadenosine-ME727141----
2-aminobutyrate2-Aminobutyric acidME727124----
2-dehydrogluconate-ME727125----
2-Deoxy-D-ribose2-Deoxy-riboseME727126----
2-hydroxy-b-methylvalerate-ME727127----
2-Hydroxybutyric acid2-Hydroxybutyric acidME727128----
2-Hydroxycaproic acid2-Hydroxyhexanoic acidME727129----
2-Hydroxydecanedioic acid2-Hydroxy-decanedioic acidME727130----
2-hydroxyglutarate2-Hydroxyglutaric acidME727131----
2-Hydroxyoctanoic acid2-Hydroxyoctanoic acidME727132----
2-Hydroxyvaleric acid2-Hydroxyvaleric acidME727133----
2-keto-isocaproate-ME727134----
2-keto-isovalerateKetoisovaleric acidME727135----
2-Methyl-3-ketovaleric acid2-Methyl-3-ketovaleric acidME727136----
2-Methylbutyrlglycine-ME727137----
2-octenoylglycine-ME727138----
2-Oxoisopentanoic acid-ME727139----
2-Phenylpropionic acid-ME727140----
3-Aminobutyric acid3-Aminobutyric acidME727142----
3-Dehydrocholate3-Dehydrocholic acidME727143----
3-hydroxy-3-methyl-Glutaric acid3-Hydroxymethylglutaric acidME727144----
3-Hydroxybenzoic acid3-Hydroxybenzoic acidME727145----
3-hydroxybutyrate3-Hydroxybutyric acidME727146----
3-hydroxycinnamatetrans-m-Coumaric acidME727147----
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME727148----
3-Hydroxyisovaleric acid3-Hydroxyisovaleric acidME727149----
3-hydroxylbutyrate-ME727150----
3-hydroxypentadecanoic acid isomer-ME727151----
3-Indolepropionic acid3-Indolepropionic acidME727152----
3-Indoxyl sulfateIndoxyl sulfateME727153----
3-Methyladipic acid3-Methyladipic acidME727154----
3-Methylglutaconic Acid3E-Methylglutaconic acidME727155----
3-Methylindole3-MethylindoleME727156----
3-PhenylpropionateHydrocinnamic acidME727157----
3-Phenylpropionic acidHydrocinnamic acidME727158----
3-Ureidopropionic acidUreidopropionic acidME727159----
4-Acetamidobutyric acid4-Acetamidobutanoic acidME727160----
4-CresolP-CresolME727161----
4-formyl Indole-ME727162----
4-hydroxybutyrate4-Hydroxybutyric acidME727163----
4-Hydroxycinnamyl aldehyde(E)-3-(4-Hydroxyphenyl)-2-propenalME727164----
4-hydroxyphenylpropionate-ME727165----
4-Methylvaleric acidIsocaproic acidME727166----
4-Pyridoxic acid4-Pyridoxic acidME727167----
5_6-Dihydrouridine-ME727168----
5_6-Dihydroxyprostaglandin F1a-ME727169----
5-aminovaleric acid5-Aminopentanoic acidME727170----
5-Hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME727171----
6-beta-hydrocortisol-ME727172----
acetoacetateAcetoacetic acidME727174----
acetyl carnitineCAR 2:0ME727175----
Acetyl-CoAAcetyl-CoAME727176----
AcetylglycineN-AcetylglycineME727177----
acetylphosphateAcetylphosphateME727178----
aconitatetrans-Aconitic acidME727179----
Aconitic acidcis-Aconitic acidME727180----
adenineAdenineME727181----
adenosineAdenosineME727182----
AdonitolRibitolME727183----
ADPADPME727184----
ADP-riboseADP-riboseME727185----
a-ketoglutarate2-Oxoglutaric acidME727173----
Ala-AlaAla-AlaME727186----
alanineAlanineME727187----
allantoinAllantoinME727188----
Allyl hexenoate isomer-ME727189----
alpha-Ketoglutaramate2-Keto-glutaramic acidME727190----
Aminoadipic acidAminoadipic acidME727191----
Aminolevulinic acidAminolevulinic acidME727192----
AMPAMPME727193----
AnserineAnserineME727194----
anthranilate2-Aminobenzoic acidME727195----
Anthranilate2-Aminobenzoic acidME727196----
Arachidic acidArachidic acidME727197----
arginineArginineME727198----
asparagineAsparagineME727200----
aspartateAspartic acidME727201----
aspartyltaurine-ME727202----
Asp GlyAsp-GlyME727199----
ATPATPME727203----
beta-alaninebeta-AlanineME727204----
betaineBetaineME727205----
biotinBiotinME727206----
Blumenol C glucoside isomer-ME727207----
ButyrateButyric acidME727208----
Butyryl-L-carnitineCAR 4:0ME727209----
C11:0(Undecanoic acid)-ME727210----
C14:0(Myristic acid)-ME727211----
C14:2CAR 14:2ME727212----
C15:0CAR 15:0ME727213----
C15:1CAR 15:1ME727214----
C15:2Pentadecadienoic acidME727215----
C16:0CAR 16:0ME727216----
C16:1CAR 16:1ME727217----
C16:2Hexadecadienoic acidME727218----
C17:0CAR 17:0ME727219----
C17:1CAR 17:1ME727220----
C17:2Heptadecadienoic acidME727221----
C18:0CAR 18:0ME727222----
C18:1CAR 18:1ME727223----
C18:2CAR 18:2ME727224----
C18:3CAR 18:3ME727225----
C18:4Octadecatetraenoic acidME727226----
C19:0CAR 19:0ME727227----
C19:1CAR 19:1ME727228----
C19:2Nonadecadienoic acidME727229----
C19:3Nonadecatrienoic acidME727230----
C19:4Nonadecatetraenoic acidME727231----
C20:0(Arachidic acid)-ME727232----
C20:1CAR 20:1ME727233----
C20:2CAR 20:2ME727234----
C20:3CAR 20:3ME727235----
C20:4CAR 20:4ME727236----
C20:5CAR 20:5ME727237----
C21:0CAR 21:0ME727238----
C21:1Heneicosenoic acidME727239----
C21:2Heneicosadienoic acidME727240----
C21:3Heneicosatrienoic acidME727241----
C21:4Heneicosatetraenoic acidME727242----
C21:5Heneicosapentaenoic acidME727243----
C22:1CAR 22:1ME727244----
C22:2CAR 22:2ME727245----
C22:3CAR 22:3ME727246----
C22:4CAR 22:4ME727247----
C22:5CAR 22:5ME727248----
C22:6CAR 22:6ME727249----
C23:0Tricosylic acidME727250----
C23:1Tricosenoic acidME727251----
C23:2Tricosadienoic acidME727252----
C23:3Tricosatrienoic acidME727253----
C23:4Tricosatetraenoic acidME727254----
C24:0(Lignoceric acid)-ME727255----
C24:1CAR 24:1ME727256----
C24:2Tetracosadienoic acidME727257----
C24:3Tetracosatrienoic acidME727258----
C24:4Tetracosatetraenoic acidME727259----
C24:5Tetracosapentaenoic acidME727260----
C24:6Tetracosahexaenoic acidME727261----
C25:0Hyenic acidME727262----
C25:1Pentacosenoic acidME727263----
C25:3Pentacosatrienoic acidME727264----
C26:0(Cerotic acid)-ME727265----
C26:1CAR 26:1ME727266----
C26:2Hexacosadienoic acidME727267----
C26:3Hexacosatrienoic acidME727268----
C26:4Hexacosatetraenoic acidME727269----
C26:5Hexacosapentaenoic acidME727270----
C26:6Hexacosahexaenoic acidME727271----
CanrenoneCanrenoneME727272----
Capryloyl glycineCapryloylglycineME727273----
CarnosineCarnosineME727274----
CDPCDPME727275----
CDP-cholineCDP-cholineME727276----
CDP-ethanolamineCDP-EthanolamineME727277----
CellobioseCellobioseME727278----
Chenodeoxycholic acidChenodeoxycholic acidME727279----
Cholesteryl sulfateCholesterol sulfateME727280----
cholic acidCholic acidME727281----
Cholic acidCholic acidME727282----
CinnamoylglycineCinnamoylglycineME727283----
Citraconic acidCitraconic acidME727284----
citrate/isocitrateCitric acid/Isocitric acidME727285----
Citronellyl propionate isomer-ME727286----
citrullineCitrullineME727287----
CMPCMPME727288----
CMP-N-glycoloylneuraminateCMP-N-glycoloylneuraminateME727289----
cortisolCortisolME727290----
creatineCreatineME727291----
Creatine phosphatePhosphocreatineME727292----
CreatinineCreatinineME727293----
cresol-ME727294----
Cresol sulfate-ME727295----
Cyclic-ADP-riboseCyclic ADP-riboseME727296----
Cystathionine ketimine isomer-ME727297----
cysteineCysteineME727298----
Cysteine-glutathione disulphide-ME727300----
Cysteine S-sulfateCysteine-S-sulfateME727299----
cytidineCytidineME727301----
cytosineCytosineME727302----
DAG(15:1/22:4)DG 15:1_22:4ME727305----
DAG(40:6)DG 40:6ME727306----
DAG(44:6)DG 44:6ME727307----
Decanoyl-L-carnitineCAR 10:0ME727308----
Dehydroascorbic acidL-Dehydroascorbic acidME727309----
DeoxycytidineDeoxycytidineME727310----
deoxyuridineDeoxyuridineME727311----
D-erythrose-4-phosphateErythrose 4-phosphateME727303----
Diaminopimelic acidDiaminopimelic acidME727312----
Dihydronaringenin-O-sulphate-ME727313----
Dihydronepetalactone isomer-ME727314----
dihydroxycholesterolDihydroxycholesterolME727315----
dimethylglycineDimethylglycineME727316----
DimethylglycineDimethylglycineME727317----
DL-Indole-3-lactic acidIndolelactic acidME727318----
DL-Pipecolic acidPipecolic acidME727319----
Docosyl 4-hydroxybenzoate isomer-ME727320----
dodecanoylcarnitineCAR 12:0ME727321----
D-Phenyllactic acidL-3-Phenyllactic acidME727304----
equol sulfate-ME727322----
FADFADME727323----
fructose-1-6-bisphosphateFructose 1,6-bisphosphateME727324----
Fructoselysine 6-phosphateFructoselysine 6-phosphateME727325----
Fucose 1-phosphateFucose 1-phosphateME727326----
fumarateFumaric acidME727327----
GalactoseGalactoseME727328----
Galacturonic acidGalacturonic acidME727329----
gamma-Aminobutryic acidgamma-Aminobutyric acidME727330----
gamma-Carboxy-D-glutamic acid-ME727331----
gamma-D-Glutamylglycine-ME727332----
GDPGDPME727333----
GDP-glucoseGDP-glucoseME727334----
glucono-lactoneGluconolactoneME727335----
glucosamineGlucosamineME727336----
glucosamine-1-phosphateGlucosamine 1-phosphateME727337----
glucosamine-6-phosphateGlucosamine 6-phosphateME727338----
GlucoseGlucoseME727339----
glucose-1-phosphateGlucose 1-phosphateME727340----
glucose-6-phosphateGlucose 6-phosphateME727341----
Glutaconic acidGlutaconic acidME727342----
glutamateGlutamic acidME727343----
glutamineGlutamineME727344----
Glutamylaspartic acid isomer-ME727345----
Glutaric acidGlutaric acidME727346----
glutathioneGlutathioneME727347----
glutathione disulfideOxidized glutathioneME727348----
Glutaurine-ME727349----
Glyceraldehyde-3-phosphateGlyceraldehyde 3-phosphateME727350----
glycerateGlyceric acidME727351----
Glycerol 3-phosphatesn-Glycero-3-phosphateME727352----
Glycerophosphocholinesn-Glycero-3-phosphocholineME727353----
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME727354----
Glycerylphosphorylethanolaminesn-Glycero-3-phosphoethanolamineME727355----
glycineGlycineME727356----
glycocholic acidGlycocholic acidME727357----
glycolithocholic acidGlycolithocholic acidME727358----
Glycyl-glycineGly-GlyME727359----
GlycylprolineGly-ProME727360----
GMPGMPME727361----
GTPGTPME727362----
Guaiacol sulfateGuaiacol sulfateME727363----
Guanidoacetic acidGuanidoacetic acidME727364----
GuanosineGuanosineME727365----
Hecogenin acetate isomer 2-ME727366----
Heptadecanoyl carnitineCAR 17:0ME727367----
hexadecanedioic acidHexadecanedioic acidME727368----
Hexanoyl GlycineHexanoylglycineME727369----
hexose-phosphateHexose 6-phosphateME727370----
HistamineHistamineME727371----
histidineHistidineME727372----
HomocarnosineHomocarnosineME727373----
HomocitrullineHomocitrullineME727374----
Hydroxycitric acid lactone-ME727375----
Hydroxyindoleacetic acidHydroxyindoleacetic acidME727376----
hydroxyisocaproic acidHydroxyisocaproic acidME727377----
HydroxymethylphosphonateHydroxymethylphosphonic acidME727378----
hydroxyprolineHydroxyprolineME727379----
hydroxypyruvateHydroxypyruvic acidME727380----
Hydroxytyrosol 4'-sulfate-ME727381----
HypotaurineHypotaurineME727382----
hypoxanthineHypoxanthineME727383----
Imidazole propionateImidazole propanoateME727384----
IMPIMPME727385----
Indole-3-acetaldehydeIndoleacetaldehydeME727386----
Indole-3-acetylaldehyde-ME727387----
Indole-3-carboxylic acidIndole-3-carboxylic acidME727388----
Indole-3-propionic acid3-Indolepropionic acidME727389----
Indole-3-pyruvic acidIndolepyruvateME727390----
Indole-5_6-quinone-ME727391----
Indolelactic acidIndolelactic acidME727392----
Indoxyl sulfateIndoxyl sulfateME727393----
inosineInosineME727394----
inositolInositolME727395----
isoleucineIsoleucineME727396----
IsovalerylglycineIsovalerylglycineME727397----
KetoprofenKetoprofenME727398----
L-(?)-3-Phenyllactic acidL-3-Phenyllactic acidME727399----
lactateLactic acidME727404----
LactoseLactoseME727405----
L-arginino-succinateArgininosuccinic acidME727400----
LaurateLauric acidME727406----
leucineLeucineME727407----
leucine/isoleucineLeucine/IsoleucineME727408----
L-FucoseFucoseME727401----
Linoleic acidLinoleic acidME727409----
Lipoic acidLipoic acidME727410----
LPE(22:6) isomer-ME727411----
L-RhamnoseRhamnoseME727402----
L-Threonic acidThreonic acidME727403----
lysineLysineME727412----
LysoPC(14:0)LPC 14:0ME727413----
lysoPE(16:0)LPE 16:0ME727414----
LysoPE(16:0)LPE 16:0ME727415----
LysoPE(18:0)LPE 18:0ME727416----
LysoPE(18:1)LPE 18:1ME727417----
LysoPE(18:2)LPE 18:2ME727418----
lysoPE(20:4)LPE 20:4ME727419----
LysoPE(22:6)LPE 22:6ME727420----
LysoPE(P-16:0)LPE P-16:0ME727421----
LysoPI(16:0)LPI 16:0ME727422----
LysoPI(18:0)LPI 18:0ME727423----
LysoPI(18:1)LPI 18:1ME727424----
LysoPI(20:4)LPI 20:4ME727425----
malateMalic acidME727427----
Malonic acidMalonic acidME727428----
MannoseMannoseME727429----
Mannose 6-phosphateMannose 6-phosphateME727430----
Melibiouronic acid-ME727431----
methionineMethionineME727432----
Methyl 2-acetyl-3-oxodecanoate isomer-ME727433----
methyladenosine monophosphate-ME727438----
Methyl equol sulfate-ME727434----
Methyl farnesoate isomer-ME727435----
Methyl geranateMethyl geranateME727436----
Methylglucoside-ME727439----
Methyl-HistidineMethylhistidineME727437----
Methyloxovaleric acid (Ketoleucine)-ME727440----
Methylsuccinic acidMethylsuccinic acidME727441----
MG(22:4)MG 22:4ME727442----
m-Hydroxyhippuric Acid3-Hydroxyhippuric acidME727426----
Mucic acidGalactaric acidME727443----
myo-inositolMyo-inositolME727444----
Myristic acidMyristic acidME727445----
Myristoleic acid C14:1-ME727446----
Myristoylcarnitine C14:0 isomer 2-ME727447----
N1-Methyl-4-pyridone-3-carboxamideN1-Methyl-4-pyridone-3-carboxamideME727477----
N-AcetylasparagineN-AcetylasparagineME727463----
N-acetyl-aspartateN-Acetylaspartic acidME727448----
N-Acetyl-cysteineN-AcetylcysteineME727449----
N-Acetyl-D-glucosaminate isomer-ME727450----
N-acetyl-glucosamine-6-PhosphateN-Acetyl-glucosamine 6-phosphateME727451----
N-acetyl-glutamineN-AcetylglutamineME727452----
N-AcetylglycineN-AcetylglycineME727464----
N-acetyl-histidineN-AcetylhistidineME727453----
N-Acetyl-L-alanineN-AcetylalanineME727454----
N-Acetyl-L-citrullineN-AcetylcitrullineME727455----
N-acetyl-leucineN-AcetylleucineME727459----
N-Acetyl-L-lysineN(2)-AcetyllysineME727456----
N-acetyl-L-ornithineN-AcetylornithineME727457----
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME727458----
N-acetyl-ornithineN-AcetylornithineME727460----
N-acetyl-phe-ME727461----
N-AcetylserineN-AcetylserineME727465----
N-AcetylthreonineN-AcetylthreonineME727466----
N-acetyl-tyr-ME727462----
NADNADME727478----
NADHNADHME727479----
N-Alpha-acetyllysineN(2)-AcetyllysineME727467----
N-butyrylglycineN-ButyrylglycineME727468----
N-ButyrylglycineN-ButyrylglycineME727469----
N-carbamoylsarcosineN-CarbamoylsarcosineME727470----
Neoabietic acidNeoabietic acidME727480----
N-Formyl-L-methionineN-FormylmethionineME727471----
N-Glycoloyl-neuraminateN-Glycoloylneuraminic acidME727472----
N-HeptanoylglycineN-HeptanoylglycineME727473----
nicotinamideNiacinamideME727481----
N-lactoyl ethanolamine phosphate-ME727474----
N-OctanoylglycineCapryloylglycineME727475----
N-Propionylglycine-ME727476----
o-Cresolo-CresolME727482----
Octadecanedioic acidOctadecanedioic acidME727484----
OctanoylcarnitineCAR 8:0ME727485----
Oleoyl EthanolamideOleoyl-EAME727486----
O-PhosphorylethanolaminePhosphoethanolamineME727483----
orotateOrotic acidME727487----
PA(18:0/18:2)PA 18:0/18:2ME727491----
PA(18:1/16:0)PA 18:1/16:0*ME727492----
PA(18:1/18:1)PA 18:1/18:1ME727493----
PA(18:2/16:0)PA 18:2/16:0*ME727494----
PA(18:2/18:2)PA 18:2/18:2ME727495----
p-Acetaminobenzaldehyde isomer-ME727488----
palmitoleoylcarnitine C16:1 isomer 3-ME727496----
Palmitoyl carnitine C16CAR 16:0ME727497----
palmitoyl carnitine C16:0 isomer 1-ME727498----
PantetheinePantetheineME727499----
pantothenatePantothenic acidME727500----
Pantothenic AcidPantothenic acidME727501----
PC(15:1/22:6)PC 15:1/22:6*ME727502----
PC(18:0/18:1)PC 18:0/18:1ME727503----
PC(18:2/15:0)PC 18:2/15:0*ME727504----
p-CresolP-CresolME727489----
PE(16:0/18:2)PE 16:0/18:2ME727505----
PE(16:0/20:4)PE 16:0/20:4ME727506----
PE(16:0/20:5)PE 16:0/20:5ME727507----
PE(16:0/22:6)PE 16:0/22:6ME727508----
PE(16:1/22:6)PE 16:1/22:6ME727509----
PE(17:0/18:2)PE 17:0/18:2ME727510----
PE(18:0/20:4)PE 18:0/20:4ME727511----
PE(18:1/16:0)PE 18:1/16:0*ME727512----
PE(18:1/20:4)PE 18:1/20:4ME727513----
PE(18:2/16:1)PE 18:2/16:1ME727514----
PE(18:2/18:1)PE 18:2/18:1*ME727515----
PE(20:4/17:0)PE 20:4/17:0*ME727516----
PE(20:4/19:0)PE 20:4/19:0*ME727517----
PE(22:6/17:0)PE 22:6/17:0*ME727518----
PE(38:6)PE 38:6ME727519----
PE(P-20:4/16:0)PE P-20:4/16:0*ME727520----
PE(P-38:6)PE P-38:6ME727521----
Perfluorooctanesulfonic acidPerfluorooctanesulfonic acidME727522----
PG(16:0/18:2)PG 16:0/18:2ME727523----
PG(16:1/18:2)PG 16:1/18:2*ME727524----
PG(18:1/16:0)PG 18:1/16:0*ME727525----
PG(18:1/18:2)PG 18:1/18:2ME727526----
PG(18:2/18:0)PG 18:2/18:0ME727527----
PG(18:2/18:2)PG 18:2/18:2ME727528----
PG(18:2/22:6)PG 18:2/22:6ME727529----
PG(20:4/16:1)PG 20:4/16:1*ME727530----
PG(20:4/18:0)PG 20:4/18:0*ME727531----
PG(20:4/18:1)PG 20:4/18:1*ME727532----
PG(20:4/18:2)PG 20:4/18:2*ME727533----
PG(22:2/16:1)PG 22:2/16:1*ME727534----
PG(22:6/16:1)PG 22:6/16:1*ME727535----
PG(22:6/17:1)PG 22:6/17:1*ME727536----
PG(36:2)PG 36:2ME727537----
phenolPhenolME727538----
Phenol sulphatePhenyl hydrogen sulfateME727539----
Phenylacetic acidPhenylacetic acidME727540----
PhenylacetylglycinePhenylacetylglycineME727541----
phenylalaninePhenylalanineME727542----
PhenylpropionylglycinePhenylpropionylglycineME727543----
phenylpyruvatePhenylpyruvic acidME727544----
phosphatePhosphoric acidME727545----
Phosphocreatinine-ME727546----
PhosphodimethylethanolamineN,N-Dimethylethanolamine phosphateME727547----
phosphoenolpyruvatePhosphoenolpyruvic acidME727548----
Phosphoglycolic acidPhosphoglycolic acidME727549----
PhosphonoacetaldehydePhosphonoacetaldehydeME727550----
PhosphoribosylaminePhosphoribosylamineME727551----
PhosphorylcholineCholine phosphateME727552----
p-hydroxybenzoate4-Hydroxybenzoic acidME727490----
PI(18:1/20:4)PI 18:1/20:4ME727553----
PI(20:4/18:0)PI 20:4/18:0*ME727554----
PI(22:6/18:0)PI 22:6/18:0*ME727555----
PI(34:0)PI 34:0ME727556----
Podecdysone B isomer-ME727557----
prolineProlineME727558----
Propenoyl carnitine C3:1-ME727559----
prostaglandin E2PGE2ME727560----
PS(16:0/22:6)PS 16:0/22:6ME727561----
PS(18:0/18:0)PS 18:0/18:0ME727562----
PS(18:0/22:6)PS 18:0/22:6ME727563----
PS(20:5/20:0)PS 20:5/20:0*ME727564----
PS(22:1/20:4)PS 22:1/20:4*ME727565----
PS(36:2)PS 36:2ME727566----
PS(40:6)PS 40:6ME727567----
PS(42:9)PS 42:9ME727568----
PseudouridinePseudouridineME727569----
PterinePterinME727570----
Pyridoxamine-5'-PhosphatePyridoxamine 5'-phosphateME727571----
Pyrocatechol sulfateCatechol sulfateME727572----
Pyroglutamic acidPyroglutamic acidME727573----
Pyrrolidonecarboxylic acidPyroglutamic acidME727574----
PyruvaldehydePyruvaldehydeME727575----
pyruvatePyruvic acidME727576----
(R)-(+)-2-Pyrrolidone-5-carboxylic acid-ME727123----
RaffinoseRaffinoseME727577----
Retinoic AcidRetinoic acidME727578----
riboflavinRiboflavinME727579----
RiboseRiboseME727580----
ribose-5-phosphateRibose 5-phosphateME727581----
ribose-phosphateRibose 5-phosphateME727582----
RibothymidineRibothymidineME727583----
SaccharopineSaccharopineME727586----
S-AdenosylhomocysteineS-AdenosylhomocysteineME727585----
S-adenosyl-L-homocysteineS-AdenosylhomocysteineME727584----
sarcosineSarcosineME727587----
Sebacic acidSebacic acidME727588----
sedoheptoluse-7-phosphate-ME727589----
serineSerineME727591----
Ser Thr Glu isomer-ME727590----
sn-glycero-3-phospho-1-Inositolsn-Glycero-3-phosphoinositolME727592----
sn-glycerol-3-phosphatesn-Glycero-3-phosphateME727593----
sorbitolSorbitolME727594----
Sorbitol-6-phosphatePseudouridineME727595----
Sphinganine-phosphateSphinganine 1-phosphateME727596----
Sphingosine-1-phosphateSphingosine 1-phosphateME727597----
sphingosine(d18:1)-ME727598----
sphingosine(d20:1)-ME727599----
StearamideStearamideME727600----
Stoloniferone C isomer-ME727601----
Suberic acidSuberic acidME727602----
Suberyl GlycineSuberylglycineME727603----
succinateSuccinic acidME727604----
sucroseSucroseME727605----
SucroseSucroseME727606----
sulfate-ME727607----
taurineTaurineME727608----
Taurocholic acid isomer-ME727609----
TaurocyamineTaurocyamineME727610----
Taurodeoxycholic acidTaurodeoxycholic acidME727611----
Taurolithocholic acidTaurolithocholic acidME727612----
Telaprevir isomer-ME727613----
Terbutaline isomer-ME727614----
tetradecadienoylcarnitine isomer 2-ME727615----
Tetradecanedioic acidTetradecanedioic acidME727616----
tetradecenoylcarnitine isomer 2-ME727617----
Thiamine monophosphateThiamine monophosphateME727618----
Thiamine pyrophosphateThiamine diphosphateME727619----
Thiomorpholine 3-carboxylateThiomorpholine-3-carboxylic acidME727620----
threonineThreonineME727621----
thymidineThymidineME727622----
Thymidine-5-triphosphateTMPME727623----
thymineThymineME727624----
TiglylglycineTiglylglycineME727625----
trans-Cinnamatetrans-Cinnamic acidME727626----
trans-Glutaconic acidGlutaconic acidME727627----
trans-Hydroxycinnamic acid-ME727628----
Traumatic Acid isomer-ME727629----
Tricarballylic acid1,2,3-Propanetricarboxylic acidME727630----
Tridecanoyl carnitineCAR 13:0ME727631----
Trp Lys isomer-ME727632----
tryptophanTryptophanME727633----
Tuberonic acid isomer-ME727634----
tyrosineTyrosineME727635----
Tyrosol 4-sulfate isomer-ME727636----
UDPUDPME727637----
UDP-D-glucoseUDP-glucoseME727638----
UDP-glucosamineUDP-glucosamineME727639----
UDP-glucuronateUDP-glucuronic acidME727640----
UDP-N-acetyl-glucosamineUDP-N-acetylglucosamineME727641----
UMPUMPME727642----
Undecanoic acidUndecylic acidME727643----
Undecylenoyl glycine-ME727644----
uracilUracilME727645----
Uric acidUric acidME727646----
uridineUridineME727647----
Urocanic acidUrocanic acidME727648----
UTPUTPME727649----
VaL-GlyVal-GlyME727650----
valineValineME727651----
Vanillin 4-sulfate-ME727652----
VanilloylglycineVanilloylglycineME727653----
xanthineXanthineME727654----
xanthosine -5-phosphateXMPME727655----
xyloseXyloseME727656----


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Cearamide-18:0(2-OH)-ME727658----
Cearamide-20:0(2-OH)-ME727659----
Cearamide-22:4(2-OH)-ME727660----
Cearamide-24:4(2-OH)-ME727748----
Cearamide(d18:1/16:0)Cer 18:1;O2/16:0ME727661----
Cearamide(d18:1/20:0)Cer 18:1;O2/20:0ME727662----
Cearamide(d18:1/22:0)Cer 18:1;O2/22:0ME727663----
Cearamide(d18:1/22:1)Cer 18:1;O2/22:1ME727664----
Cearamide(d18:1/22:2)Cer 18:1;O2/22:2ME727665----
Cearamide(d18:1/24:2)Cer 18:1;O2/24:2ME727666----
CE_NH4(16:0)CE 16:0ME727657----
CE_NH4(18:1)CE 18:1ME727744----
CE_NH4(20:2)CE 20:2ME727745----
CE_NH4(22:2)CE 22:2ME727746----
CE_NH4(22:6)CE 22:6ME727747----
CoQ9Coenzyme Q9ME727749----
DG_NH4(30:0)DG 30:0ME727667----
DG_NH4(32:0)DG 32:0ME727668----
DG_NH4(32:1)DG 32:1ME727669----
DG_NH4(34:0)DG 34:0ME727670----
DG_NH4(34:1)DG 34:1ME727671----
DG_NH4(34:2)DG 34:2ME727672----
DG_NH4(34:3)DG 34:3ME727673----
DG_NH4(34:4)DG 34:4ME727674----
DG_NH4(36:0)DG 36:0ME727675----
DG_NH4(36:1)DG 36:1ME727676----
DG_NH4(36:2)DG 36:2ME727677----
DG_NH4(36:3)DG 36:3ME727678----
DG_NH4(36:4)DG 36:4ME727679----
DG_NH4(36:5)DG 36:5ME727680----
DG_NH4(38:0)DG 38:0ME727750----
DG_NH4(38:3)DG 38:3ME727751----
DG_NH4(38:4)DG 38:4ME727752----
DG_NH4(38:5)DG 38:5ME727753----
DG_NH4(38:6)DG 38:6ME727754----
DG_NH4(40:0)DG 40:0ME727755----
DG_NH4(40:1)DG 40:1ME727756----
DG_NH4(40:7)DG 40:7ME727757----
DG_NH4(40:8)DG 40:8ME727758----
DG_NH4(42:0)DG 42:0ME727759----
DG_NH4(42:1)DG 42:1ME727760----
DG_NH4(42:10)DG 42:10ME727761----
DG_NH4(42:11)DG 42:11ME727762----
DG_NH4(44:10)DG 44:10ME727763----
DG_NH4(44:11)DG 44:11ME727764----
DG_NH4(44:12)DG 44:12ME727765----
DG_NH4(46:10)DG 46:10ME727766----
DG_NH4(46:11)DG 46:11ME727767----
DG_NH4(46:12)DG 46:12ME727768----
DG_NH4(48:10)DG 48:10ME727769----
DG_NH4(48:11)DG 48:11ME727770----
DG_NH4(48:12)DG 48:12ME727771----
Glucosyl/Galactosyl Cearamide(d18:1/22:5)-ME727772----
Glucosyl/Galactosyl Cearamide(d18:1/22:6)-ME727773----
Glucosyl/Galactosyl Cearamide(d18:1/24:0)-ME727774----
Glucosyl/Galactosyl Cearamide(d18:1/24:1)-ME727775----
Glucosyl/Galactosyl Cearamide(d18:1/24:2)-ME727776----
Glucosyl/Galactosyl Cearamide(d18:1/24:3)-ME727777----
Glucosyl/Galactosyl Cearamide(d18:1/24:4)-ME727778----
Glucosyl/Galactosyl Cearamide(d18:1/24:5)-ME727779----
Glucosyl/Galactosyl Cearamide(d18:1/26:3)-ME727780----
Glucosyl/Galactosyl Cearamide(d18:1/26:4)-ME727781----
Lactosyl Cearamide(d18:1/16:0)-ME727782----
Lactosyl Cearamide(d18:1/18:3)-ME727783----
Lactosyl Cearamide(d18:1/22:4)-ME727784----
Lactosyl Cearamide(d18:1/28:1)-ME727785----
LPC(14:0)LPC 14:0ME727681----
LPC(16:0)LPC 16:0ME727682----
LPC(16:1)LPC 16:1ME727683----
LPC(18:0)LPC 18:0ME727684----
LPC(18:1)LPC 18:1ME727685----
LPC(18:2)LPC 18:2ME727686----
LPC(18:3)LPC 18:3ME727687----
LPC(18:4)LPC 18:4ME727688----
LPC(20:0)LPC 20:0ME727689----
LPC(20:1)LPC 20:1ME727690----
LPC(20:2)LPC 20:2ME727691----
LPC(20:3)LPC 20:3ME727692----
LPC(20:4)LPC 20:4ME727693----
LPC(20:5)LPC 20:5ME727694----
LPC(22:0)LPC 22:0ME727695----
LPC(22:1)LPC 22:1ME727696----
LPC(22:5)LPC 22:5ME727697----
LPC(22:6)LPC 22:6ME727698----
LPC(24:0)LPC 24:0ME727699----
LPC(24:1)LPC 24:1ME727700----
LPE(16:0)LPE 16:0ME727701----
LPE(18:0)LPE 18:0ME727702----
LPE(18:1)LPE 18:1ME727703----
LPE(18:2)LPE 18:2ME727704----
LPE(20:0)LPE 20:0ME727705----
LPE(20:1)LPE 20:1ME727706----
LPE(20:4)LPE 20:4ME727707----
LPE(20:5)LPE 20:5ME727708----
LPE(22:0)LPE 22:0ME727709----
LPE(22:1)LPE 22:1ME727710----
LPE(22:6)LPE 22:6ME727711----
LPS(20:3)LPS 20:3ME727712----
LPS(24:3)LPS 24:3ME727713----
LPS(24:5)LPS 24:5ME727714----
MG_NH4(14:0)MG 14:0ME727715----
MG_NH4(16:0)MG 16:0ME727716----
MG_NH4(16:1)MG 16:1ME727717----
MG_NH4(16:2)MG 16:2ME727718----
MG_NH4(18:0)MG 18:0ME727719----
MG_NH4(18:1)MG 18:1ME727720----
MG_NH4(18:2)MG 18:2ME727721----
MG_NH4(18:3)MG 18:3ME727722----
MG_NH4(18:4)MG 18:4ME727723----
MG_NH4(20:0)MG 20:0ME727724----
MG_NH4(20:2)MG 20:2ME727725----
MG_NH4(20:3)MG 20:3ME727726----
MG_NH4(20:4)MG 20:4ME727727----
MG_NH4(20:5)MG 20:5ME727728----
MG_NH4(22:0)MG 22:0ME727729----
MG_NH4(22:1)MG 22:1ME727730----
MG_NH4(22:2)MG 22:2ME727731----
MG_NH4(22:3)MG 22:3ME727732----
MG_NH4(22:4)MG 22:4ME727733----
MG_NH4(22:5)MG 22:5ME727734----
MG_NH4(22:6)MG 22:6ME727735----
MG_NH4(24:0)MG 24:0ME727736----
MG_NH4(24:3)MG 24:3ME727737----
MG_NH4(24:4)MG 24:4ME727738----
MG_NH4(24:6)MG 24:6*ME727739----
PC(30:0)PC 30:0ME727786----
PC(30:1)PC 30:1ME727787----
PC(32:0)PC 32:0ME727788----
PC(32:1)PC 32:1ME727789----
PC(32:2)PC 32:2ME727790----
PC(34:0)PC 34:0ME727791----
PC(34:1)PC 34:1ME727792----
PC(34:2)PC 34:2ME727793----
PC(34:3)PC 34:3ME727794----
PC(34:4)PC 34:4ME727795----
PC(36:0)PC 36:0ME727796----
PC(36:1)PC 36:1ME727797----
PC(36:1)-ether-ME727798----
PC(36:2)PC 36:2ME727799----
PC(36:3)PC 36:3ME727800----
PC(36:4)PC 36:4ME727801----
PC(36:5)PC 36:5ME727802----
PC(36:6)PC 36:6ME727803----
PC(38:1)PC 38:1ME727804----
PC(38:2)PC 38:2ME727805----
PC(38:3)PC 38:3ME727806----
PC(38:4)PC 38:4ME727807----
PC(38:5)PC 38:5ME727808----
PC(38:6)PC 38:6ME727809----
PC(40:2)PC 40:2ME727810----
PC(40:3)PC 40:3ME727811----
PC(40:4)PC 40:4ME727812----
PC(40:5)PC 40:5ME727813----
PC(40:6)PC 40:6ME727814----
PC(40:7)PC 40:7ME727815----
PC(40:8)PC 40:8ME727816----
PC(42:10)PC 42:10ME727817----
PC(42:11)PC 42:11ME727818----
PC(42:12)PC 42:12ME727819----
PC(42:2)PC 42:2ME727820----
PC(42:5)PC 42:5ME727821----
PC(42:6)PC 42:6ME727822----
PC(42:7)PC 42:7ME727823----
PC(42:8)PC 42:8ME727824----
PC(42:9)PC 42:9ME727825----
PC(44:10)PC 44:10ME727826----
PC(44:12)PC 44:12ME727827----
PC(44:5)PC 44:5ME727828----
PC(44:6)PC 44:6ME727829----
PC(46:11)PC 46:11ME727830----
PC(46:12)PC 46:12ME727831----
PC(48:11)PC 48:11ME727832----
PE(34:0)PE 34:0ME727833----
PE(34:1)PE 34:1ME727834----
PE(34:2)PE 34:2ME727835----
PE(34:3)PE 34:3ME727836----
PE(36:1)PE 36:1ME727837----
PE(36:2)PE 36:2ME727838----
PE(36:3)PE 36:3ME727839----
PE(36:4)PE 36:4ME727840----
PE(36:5)PE 36:5ME727841----
PE(38:1)PE 38:1ME727842----
PE(38:2)PE 38:2ME727843----
PE(38:3)PE 38:3ME727844----
PE(38:5)PE 38:5ME727845----
PE(38:6)PE 38:6ME727846----
PE(40:1)PE 40:1ME727847----
PE(40:2)PE 40:2ME727848----
PE(40:3)PE 40:3ME727849----
PE(40:4)PE 40:4ME727850----
PE(40:5)PE 40:5ME727851----
PE(40:6)PE 40:6ME727852----
PE(40:7)PE 40:7ME727853----
PE(40:8)PE 40:8ME727854----
PE(42:1)PE 42:1ME727855----
PE(42:10)PE 42:10ME727856----
PE(42:2)PE 42:2ME727857----
PE(42:3)PE 42:3ME727858----
PE(42:4)PE 42:4ME727859----
PE(42:5)PE 42:5ME727860----
PE(42:6)PE 42:6ME727861----
PE(42:7)PE 42:7ME727862----
PE(44:5)PE 44:5ME727863----
PE(44:6)PE 44:6ME727864----
PE(44:8)PE 44:8ME727865----
PE(44:9)PE 44:9ME727866----
PE(46:9)PE 46:9ME727867----
PE(48:11)PE 48:11ME727868----
PE(O-34:1)PE O-34:1ME727869----
PE(O-36:1)PE O-36:1ME727870----
PE(O-36:2)PE O-36:2ME727871----
PE(O-36:3)PE O-36:3ME727872----
PE(O-36:5)PE O-36:5ME727873----
PE(O-38:2)PE O-38:2ME727874----
PE(O-38:4)PE O-38:4ME727875----
PE(O-38:5)PE O-38:5ME727876----
PE(O-38:6)PE O-38:6ME727877----
PE(O-40:6)PE O-40:6ME727878----
PE(O-42:5)PE O-42:5ME727879----
PS(42:8)PS 42:8ME727880----
PS(44:8)PS 44:8ME727881----
PS(44:9)PS 44:9ME727882----
PS(O-42:0)PS O-42:0ME727883----
SM(d18:1/16:0)SM 18:1;O2/16:0ME727887----
SM(d18:1/18:0)SM 18:1;O2/18:0ME727888----
SM(d18:1/18:1)SM 18:1;O2/18:1ME727889----
SM(d18:1/18:2)SM 18:1;O2/18:2ME727890----
SM(d18:1/18:3)SM 18:1;O2/18:3ME727891----
SM(d18:1/20:0)SM 18:1;O2/20:0ME727892----
SM(d18:1/20:1)SM 18:1;O2/20:1ME727893----
SM(d18:1/20:2)SM 18:1;O2/20:2ME727894----
SM(d18:1/20:3)SM 18:1;O2/20:3ME727895----
SM(d18:1/20:4)SM 18:1;O2/20:4ME727896----
SM(d18:1/22:0)SM 18:1;O2/22:0ME727897----
SM(d18:1/22:1)SM 18:1;O2/22:1ME727898----
SM(d18:1/22:2)SM 18:1;O2/22:2ME727899----
SM(d18:1/22:3)SM 18:1;O2/22:3ME727900----
SM(d18:1/22:5)SM 18:1;O2/22:5ME727901----
SM(d18:1/22:6)SM 18:1;O2/22:6ME727902----
SM (d18:1/24:0)SM 18:1;O2/24:0ME727884----
SM(d18:1/24:1)SM 18:1;O2/24:1ME727903----
SM(d18:1/24:2)SM 18:1;O2/24:2ME727904----
SM(d18:1/24:3)SM 18:1;O2/24:3ME727905----
SM(d18:1/24:4)SM 18:1;O2/24:4ME727906----
SM(d18:1/24:6)SM 18:1;O2/24:6ME727907----
SM (d18:1/26:0)SM 18:1;O2/26:0ME727885----
SM(d18:1/26:1)SM 18:1;O2/26:1ME727908----
SM(d18:1/26:2)SM 18:1;O2/26:2ME727909----
SM(d18:1/26:3)SM 18:1;O2/26:3ME727910----
SM(d18:1/26:4)SM 18:1;O2/26:4ME727911----
SM(d18:1/26:5)SM 18:1;O2/26:5ME727912----
SM (d18:1/28:0)SM 18:1;O2/28:0ME727886----
SM(d18:1/28:1)SM 18:1;O2/28:1ME727913----
SM(d18:1/28:2)SM 18:1;O2/28:2*ME727914----
SM(d18:1/28:3)SM 18:1;O2/28:3*ME727915----
SM(d18:1/28:4)SM 18:1;O2/28:4*ME727916----
Sphingosine(24:0)/sphinganine(24:1)-ME727917----
Sphingosine(24:1)-ME727742----
Sphingosine-3-deoxy(m18:1)-ME727740----
Sphingosine(d20:1)-ME727743----
Sphingosine-dimethyl(d18:1)-ME727741----
TG_NH4(44:3)TG 44:3ME727918----
TG_NH4(46:0)TG 46:0ME727919----
TG_NH4(46:2)TG 46:2ME727920----
TG_NH4(46:3)TG 46:3ME727921----
TG_NH4(48:0)TG 48:0ME727922----
TG_NH4(48:1)TG 48:1ME727923----
TG_NH4(48:2)TG 48:2ME727924----
TG_NH4(48:3)TG 48:3ME727925----
TG_NH4(50:0)TG 50:0ME727926----
TG_NH4(50:1)TG 50:1ME727927----
TG_NH4(50:2)TG 50:2ME727928----
TG_NH4(50:3)TG 50:3ME727929----
TG_NH4(50:4)TG 50:4ME727930----
TG_NH4(50:5)TG 50:5ME727931----
TG_NH4(50:6)TG 50:6ME727932----
TG_NH4(50:8)TG 50:8ME727933----
TG_NH4(50:9)TG 50:9ME727934----
TG_NH4(52:0)TG 52:0ME727935----
TG_NH4(52:1)TG 52:1ME727936----
TG_NH4(52:2)TG 52:2ME727937----
TG_NH4(52:3)TG 52:3ME727938----
TG_NH4(52:4)TG 52:4ME727939----
TG_NH4(52:5)TG 52:5ME727940----
TG_NH4(52:6)TG 52:6ME727941----
TG_NH4(52:7)TG 52:7ME727942----
TG_NH4(52:8)TG 52:8ME727943----
TG_NH4(52:9)TG 52:9ME727944----
TG_NH4(54:0)TG 54:0ME727945----
TG_NH4(54:1)TG 54:1ME727946----
TG_NH4(54:2)TG 54:2ME727947----
TG_NH4(54:3)TG 54:3ME727948----
TG_NH4(54:4)TG 54:4ME727949----
TG_NH4(54:5)TG 54:5ME727950----
TG_NH4(54:6)TG 54:6ME727951----
TG_NH4(54:7)TG 54:7ME727952----
TG_NH4(54:8)TG 54:8ME727953----
TG_NH4(54:9)TG 54:9ME727954----
TG_NH4(56:0)TG 56:0ME727955----
TG_NH4(56:1)TG 56:1ME727956----
TG_NH4(56:10)TG 56:10ME727957----
TG_NH4(56:2)TG 56:2ME727958----
TG_NH4(56:3)TG 56:3ME727959----
TG_NH4(56:4)TG 56:4ME727960----
TG_NH4(56:5)TG 56:5ME727961----
TG_NH4(56:6)TG 56:6ME727962----
TG_NH4(56:7)TG 56:7ME727963----
TG_NH4(56:8)TG 56:8ME727964----
TG_NH4(56:9)TG 56:9ME727965----
TG_NH4(58:1)TG 58:1ME727966----
TG_NH4(58:10)TG 58:10ME727967----
TG_NH4(58:11)TG 58:11ME727968----
TG_NH4(58:2)TG 58:2ME727969----
TG_NH4(58:3)TG 58:3ME727970----
TG_NH4(58:4)TG 58:4ME727971----
TG_NH4(58:5)TG 58:5ME727972----
TG_NH4(58:6)TG 58:6ME727973----
TG_NH4(58:7)TG 58:7ME727974----
TG_NH4(58:8)TG 58:8ME727975----
TG_NH4(58:9)TG 58:9ME727976----
TG_NH4(60:1)TG 60:1ME727977----
TG_NH4(60:10)TG 60:10ME727978----
TG_NH4(60:11)TG 60:11ME727979----
TG_NH4(60:12)TG 60:12ME727980----
TG_NH4(60:2)TG 60:2ME727981----
TG_NH4(60:5)TG 60:5ME727982----
TG_NH4(60:6)TG 60:6ME727983----
TG_NH4(60:7)TG 60:7ME727984----
TG_NH4(60:8)TG 60:8ME727985----
TG_NH4(60:9)TG 60:9ME727986----
TG_NH4(62:10)TG 62:10ME727987----
TG_NH4(62:11)TG 62:11ME727988----
TG_NH4(62:12)TG 62:12ME727989----
TG_NH4(62:13)TG 62:13ME727990----
TG_NH4(62:14)TG 62:14ME727991----
TG_NH4(62:15)TG 62:15ME727992----
TG_NH4(62:3)TG 62:3ME727993----
TG_NH4(62:6)TG 62:6ME727994----
TG_NH4(62:7)TG 62:7ME727995----
TG_NH4(62:8)TG 62:8ME727996----
TG_NH4(62:9)TG 62:9ME727997----
TG_NH4(64:12)TG 64:12ME727998----
TG_NH4(64:13)TG 64:13ME727999----
TG_NH4(64:14)TG 64:14ME728000----
TG_NH4(64:15)TG 64:15ME728001----
TG_NH4(66:10)TG 66:10ME728002----
TG_NH4(66:13)TG 66:13ME728003----
TG_NH4(66:14)TG 66:14ME728004----
TG_NH4(66:15)TG 66:15ME728005----
TG_NH4(66:16)TG 66:16ME728006----
TG_NH4(66:17)TG 66:17ME728007----
TG_NH4(66:18)TG 66:18ME728008----
TG_NH4(68:18)TG 68:18ME728009----


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
C14:0CAR 14:0ME728010----
C14:1CAR 14:1ME728011----
C14:2CAR 14:2ME728012----
C15:0CAR 15:0ME728013----
C15:1CAR 15:1ME728014----
C15:2Pentadecadienoic acidME728015----
C16:0CAR 16:0ME728016----
C16:1CAR 16:1ME728017----
C16:2Hexadecadienoic acidME728018----
C17:0CAR 17:0ME728019----
C17:1CAR 17:1ME728020----
C17:2Heptadecadienoic acidME728021----
C18:0CAR 18:0ME728022----
C18:1CAR 18:1ME728023----
C18:2CAR 18:2ME728024----
C18:3CAR 18:3ME728025----
C18:4Octadecatetraenoic acidME728026----
C19:0CAR 19:0ME728027----
C19:1CAR 19:1ME728028----
C19:2Nonadecadienoic acidME728029----
C19:3Nonadecatrienoic acidME728030----
C19:4Nonadecatetraenoic acidME728031----
C20:0CAR 20:0ME728032----
C20:1CAR 20:1ME728033----
C20:2CAR 20:2ME728034----
C20:3CAR 20:3ME728035----
C20:4CAR 20:4ME728036----
C20:5CAR 20:5ME728037----
C20:6-ME728038----
C21:0CAR 21:0ME728039----
C21:1Heneicosenoic acidME728040----
C21:2Heneicosadienoic acidME728041----
C21:3Heneicosatrienoic acidME728042----
C21:4Heneicosatetraenoic acidME728043----
C21:5Heneicosapentaenoic acidME728044----
C22:0CAR 22:0ME728045----
C22:1CAR 22:1ME728046----
C22:2CAR 22:2ME728047----
C22:3CAR 22:3ME728048----
C22:4CAR 22:4ME728049----
C22:5CAR 22:5ME728050----
C22:6CAR 22:6ME728051----
C23:0 ATricosylic acidME728052----
C23:0 BTricosylic acidME728053----
C23:1Tricosenoic acidME728054----
C24:0CAR 24:0ME728055----
C24:1CAR 24:1ME728056----
C24:2Tetracosadienoic acidME728057----
C24:3Tetracosatrienoic acidME728058----
C24:4Tetracosatetraenoic acidME728059----
C24:5Tetracosapentaenoic acidME728060----
C24:6Tetracosahexaenoic acidME728061----
C25:1Pentacosenoic acidME728062----
C26:0CAR 26:0ME728063----
C26:1CAR 26:1ME728064----
C26:2Hexacosadienoic acidME728065----
C28:0Montanic acidME728066----
PG(32:0)PG 32:0ME728067----
PG(36:0)PG 36:0ME728068----
PG(36:1)PG 36:1ME728069----
PG(36:2)PG 36:2ME728070----
PI(36:0)PI 36:0ME728071----
PI(36:1)PI 36:1ME728072----
PI(36:2)PI 36:2ME728073----
PI(36:3)PI 36:3ME728074----
PI(36:4)PI 36:4ME728075----
PI(36:5)PI 36:5ME728076----
PI(38:0)PI 38:0ME728077----
PI(38:1)PI 38:1ME728078----
PI(38:2)PI 38:2ME728079----
PI(38:3)PI 38:3ME728080----
PI(38:4)PI 38:4ME728081----
PI(38:5)PI 38:5ME728082----
PI(38:6)PI 38:6ME728083----
PI(40:3)PI 40:3ME728084----
PI(40:4)PI 40:4ME728085----
PI(40:5)PI 40:5ME728086----
PI(40:6)PI 40:6ME728087----
PI(40:7)PI 40:7ME728088----
PI(42:6)PI 42:6ME728089----
PI(42:7)PI 42:7ME728090----


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