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Analysis: ESI positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1-LinoleoylglycerophosphocholineLPC(18:2)ME097962-C04100--
24,25-hydroxyvitamin D324,25-Dihydroxyvitamin D3ME098030-C07712--
2-MethylbutyroylcarnitineCAR(4:0(2Me))ME0979616426901---
2-Pyrrolidinone2-PyrrolidinoneME09791612025C11118--
3-Hydroxy-L-prolinecis-3-HydroxyprolineME09799011137200C04397--
3-Methyl-2-oxovaleric acid3-Methyl-2-oxovaleric acidME09805347C03465--
4-Aminobutyraldehyde4-AminobutyraldehydeME098044118C00555--
4-Guanidinobutanamide4-GuanidinobutanamideME097959123C03078--
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME097904500C01035--
4-Hydroxypyridine4-PyridoneME097897----
7-ketocholesterol7-Oxo-cholesterolME09801291474---
AcetylcarnitineCAR(2:0)ME0978991C02571--
AcetylcholineAcetylcholineME097907187C01996--
Acetyl-L-serineN-AcetylserineME09789665249C00979--
AdenosineAdenosineME09808760961C00212--
ADMADimethylarginineME097987123831C03626--
ADP-riboseADP-riboseME098043192C00301--
AgmatineAgmatineME097915199C00179--
AlanineAlanineME0979395950C00041--
AllantoateAllantoic acidME097971203C00499--
Aminoadipic acidAminoadipic acidME097914469C00956--
Aminoethylphosphonic acid-ME097919-C03557--
Aminopropanol-ME098055----
AMPAMPME0980026083C00020--
Anthranilic acid2-Aminobenzoic acidME097947227C00108--
ArabitolArabitolME097976827C00532--
Arachidonic AcidArachidonic acidME098061444899C00219--
Arachidonoyl EthanolamideArachidonoyl-EAME0980295281969C11695--
ArginineArginineME0979706322C00062--
AsparagineAsparagineME0979756267C00152--
AspartateAspartic acidME0979025960C00049--
Aspartic acid b-semialdehyde-ME098092-C00441--
Benzoic acidBenzoic acidME098064243C00180--
BetaineBetaineME097931247C00719--
Betaine aldehydeBetaine aldehydeME097903249C00576--
BiotinBiotinME098016171548C00120--
Biotin amideBiotin amideME09795883831C01893--
Butyric acidButyric acidME09805120975673C00246--
Butyryl-L-carnitineCAR 4:0ME097869213144C02862--
C-2 CeramideCer 18:1;O2/2:0ME0980625497136---
CadaverineCadaverineME097883273C01672--
Caprylic acidCaprylic acidME097977379C06423--
CarnitineCarnitineME097956288C00318--
CarnosineCarnosineME098005439224C00386--
CDPcholineCytidine 5'-diphosphocholineME097969-C00307--
CDP-ethanolamineCDP-EthanolamineME098039123727C00570--
Cer(d18:0/13:0)Cer 18:0;O2/13:0ME09807452931113---
Cer(d18:0/16:0)Cer 18:0;O2/16:0ME0980375283572---
Cer(d18:0/17:0)Cer 18:0;O2/17:0ME09798852931125---
CholecalciferolVitamin D3ME09807910883523C05443--
Cholic acidCholic acidME098082221493C00695--
CholineCholineME097901305C00114--
CitrullineCitrullineME0980069750C00327--
CMPCMPME0979516131C00055--
CMP-N-acetylneuraminic acid-ME098023-C00128--
Coumaric acid-ME098018-C00811--
CreatineCreatineME097984586C00300--
Cyclic CMP-ME098076-C00941--
CystathionineCystathionineME098047439258C02291--
CysteineCysteineME097910594C00491--
Cysteineglutathione disulfideCysteine-glutathione disulfideME0979823080690---
CytidineCytidineME0979746175C00475--
CytosineCytosineME097881597C00380--
delta-Tocopheroldelta-TocopherolME09804692094C14151--
DeoxycytosineDeoxycytosineME098009161280C02026--
DethiobiotinDethiobiotinME098014445027C01909--
DG(17:1(9Z)/17:1(9Z)/0:0)DG 17:1_17:1ME097948----
DG(17:2(9Z,12Z)/18:0/0:0)DG 17:2_18:0ME098031----
DiethanolamineDiethanolamineME0980488113C06772--
Distearyl phosphatidyl ethanolaminePE 18:0/18:0ME098010447078---
DL-2-Aminoadipic acidAminoadipic acidME097930469C00956--
DocosanamideDocosanamideME09808176468---
DodecanoylcarnitineCAR 12:0ME09799610427569---
DopamineDopamineME098088681C03758--
Elaidic carnitineCAR 18:1(9E)ME09806553477837---
ErgothioneineErgothioneineME0978843032311C05570--
ErythritolErythritolME097911222285C00503--
Formimino-L-glutamic acidFormiminoglutamic acidME097935-C00439--
Gamma-Butyrolactonegamma-ButyrolactoneME0979977302C01770--
Glucosamine 1-phosphate-ME098013-C06156--
GlucoseGlucoseME0978725793C00221--
Glucose 6-phosphateGlucose 6-phosphateME0979685958C00092--
GlutamateGlutamic acidME097895-C00025--
Glutamic acid g-semialdehydeD-Glutamic acidME098077-C01165--
GlutamineGlutamineME0979645961C00064--
GlutathioneGlutathioneME097933124886C00051--
Glutathione, oxidizedOxidized glutathioneME097980-C00127--
Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME097885439168C00118--
Glyceric acidGlyceric acidME098045439194C00258--
GlycerolGlycerolME098059753C00116--
Glycerophosphocholinesn-Glycero-3-phosphocholineME097913657272C00670--
Glycerylphosphorylethanolaminesn-Glycero-3-phosphoethanolamineME09792322833510C01233--
GlycineGlycineME097978750C00037--
Glycocholic AcidGlycocholic acidME09808510140C01921--
GMPGMPME0980016804C00144--
Guanidineacetic acidGuanidoacetic acidME098072-C00581--
GuanineGuanineME098093764C00242--
H2O4S-ME097949-C00059--
HexanoylcarnitineCAR(6:0)ME0980916426853---
HistamineHistamineME097945774C00388--
HistidinalHistidinalME098073775C01929--
HistidineHistidineME0979266274C00135--
HistidinolL-HistidinolME097998165271C00860--
HomoserineHomoserineME09798612647C00263--
Homovanillic acidHomovanillic acidME0978901738C05582--
Hydrogen selenide-ME097955-C01528--
Hydroxy butyric acid-ME097934-C01089--
Hydroxyhydroquinone1,2,4-TrihydroxybenzeneME09788810787C02814--
Hydroxy-L-glutamic acid-ME097928-C03079--
Hydroxylysine5-HydroxylysineME098058-C01211--
HypotaurineHypotaurineME097886107812C00519--
HypoxanthineHypoxanthineME098035790C00262--
Imidazoleacetic acidImidazoleacetic acidME09792796215C02835--
IMPIMPME0980548582C00130--
InosineInosineME0980216021C00294--
Isobutyryl-L-carnitineCAR 3:0;2MeME098007-C02862--
IsoleucineIsoleucineME0979536306C00407--
Isovaleric acidIsovaleric acidME09799210430C08262--
KetoleucineKetoleucineME09802570C00233--
KynuramineKynuramineME0978799692---
Kynurenic acidKynurenic acidME0980203845C01717--
Lauric acidLauric acidME0978743893C02679--
L-Homocysteic acidHomocysteic acidME097875-C16511--
Linoleyl carnitineCAR 18:2ME09799451000598---
LysineLysineME0979385962C00047--
LysoPE-ME098027----
MalonylcarnitineCAR(DC3:0)ME09808971464475---
MetforminMetforminME0978664091C07151--
MethionineMethionineME0979466137C00073--
Methylcytidine-ME098011----
MethylglutarylcarnitineCAR DC5:0;3MeME098084----
Methylhistamine1-MethylhistamineME097876-C05127--
Methyl-L-histidineN-MethylhistidineME097950-C01152--
Mevalonic acidMevalonic acidME097973439230C00418--
N1-AcetylspermidineN1-AcetylspermidineME097940496C00612--
N2-Acetyl-L-ornithineN-AcetylornithineME098063439232C00437--
Na-Acetyl-L-glutamineN-AcetylglutamineME09788925561---
N-acetylaspartateN-Acetylaspartic acidME09789865065C01042--
N-AcetylcadaverineN-AcetylcadaverineME097873189087---
N-Acetyl-DL-methionineN-AcetylmethionineME098036448580C02712--
N-Acetyl-L-alanineN-AcetylalanineME09802888064---
N-Acetyl-L-glutamic acidN-Acetylglutamic acidME098080-C00624--
N-Acetylneuraminic AcidN-Acetyl-alpha-neuraminic acidME098033444885C00270--
N-AcetylputrescineN-AcetylputrescineME098022122356C02714--
N-AcetylserotoninN-AcetylserotoninME097922903C00978--
N-AcryloylglycineN-AcryloylglycineME097941100321---
NADNAD+ME09807810897651C00003--
N-CarbamoylputrescineN-CarbamoylputrescineME097952502C00436--
Ne-Methyl-L-lysineN(6)-MethyllysineME097868164795C02728--
NiacinamideNiacinamideME097921936C00153--
N-MethylureaN-MethylureaME09808611719C16363--
N,N'-DimethylureaN,N-DimethylureaME0980247293C16364--
N-PalmitoylsphingosineCer 18:1;O2/16:0ME0980675283564---
OctanoylcarnitineCAR(8:0)ME098015123701C02838--
O-PhosphorylethanolaminePhosphoethanolamineME0980401015C00346--
OrnithineOrnithineME0978776262C01602--
Palmitoyl-L-carnitineCAR 16:0ME09787011953816C02990--
Pantoic acid(R)-Pantoic acidME098042439251C00522--
Pantothenic AcidPantothenic acidME098008988C00864--
PC(10:0/11:0)[U]PC 10:0_11:0ME097937----
PC(10:0/13:0)[U]PC 10:0_13:0ME097878----
PC(16:0/0:0)LPC 16:0ME097965460602C04102--
PC(16:0/5:1(4E))PC 16:0/5:1(4E)ME098032----
PC(18:1(9Z)/0:0)[U] / PC(18:1(9Z)/0:0)[rac]LPC 18:1ME098000----
PC(20:4(5Z,8Z,11Z,14Z)/0:0)LPC 20:4ME097908----
PC(24:0/0:0)LPC 24:0ME097905----
PhenylalaninePhenylalanineME0979326140C00079--
PhosphocholineCholine phosphateME097887135437C00588--
Phospho-L-serine-ME098038-C01005--
Phosphoric acidPhosphoric acidME0979571004C00009--
PhosphorylcholineCholine phosphateME098069135437C00588--
progesteroneProgesteroneME0980715994C00410--
ProlineProlineME097942145742C00148--
Propionyl-L-carnitineCAR 3:0ME097906188824C03017--
PS(19:0/0:0)LPS 19:0ME097882----
PS(22:1(11Z)/0:0)LPS 22:1ME097920----
PsychosinePsychosineME0979189547206C01747--
PutrescinePutrescineME0979251045C00134--
Pyridoxal (Vitamin B6)-ME098034-C00250--
PyridoxaminePyridoxamineME0980521052C00534--
Pyridoxate4-Pyridoxic acidME0979666723C00847--
Pyrrolidone-5-carboxylic acidPyroglutamic acidME097900499C02237--
Quinic acidQuinic acidME0980836508C00296--
Retinoic acidRetinoic acidME098050444795C00777--
RibitolXylitolME0979956912C00474--
Ribose 5-phosphateRibose 5-phosphateME098017439167C00117--
SarcosineSarcosineME0980601088C00213--
Selenium Sulfide-ME098090----
SelenocysteineSelenocysteineME09801925076C02432--
SerineSerineME0979445951C00065--
SerotoninSerotoninME0980495202C00780--
Skatole3-MethylindoleME0980756736C08313--
SpermineSpermineME0979241103C00750--
SphinganineSphinganineME09805691486C00836--
StearoylcarnitineCAR(18:0)ME09789152922056---
SuccinateSuccinic acidME0978711110C00042--
Succinic acid semialdehydeSuccinic acid semialdehydeME0979851112C00232--
SucroseSucroseME0979725988C00089--
Sulfite-ME098003-C00094--
TaurineTaurineME0979091123C00245--
TestosteroneTestosteroneME0980666013C00535--
ThiamineThiamineME0979171130C00378--
ThreonineThreonineME0979676288C00188--
ThymineThymineME0979911135C00178--
Trigonellinamide-ME097867-C02918--
TrigonellineTrigonellineME0978805570C01004--
TryptophanTryptophanME0979636305C00078--
TryptopholTryptophanolME09802610685C00955--
TyramineTyramineME0979545610C00483--
TyrosineTyrosineME0979366057C00082--
UDPUDPME0979996031C00015--
UDP-D-galactoseUDP-galactoseME0980416857410C00052--
UDP-N-acetyl-D-galactosamineUDP-N-acetylgalactosamineME0979606419712C00203--
UMPUMPME0980046030C00105--
Uric acidUric acidME0980571175C00366--
Urocanic acidUrocanic acidME097912736715C00785--
ValineValineME0978936287C00183--
XylitolXylitolME0979296912C00379--


Analysis: ESI negative ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
2-(a-D-Mannosyl)-3-phosphoglycerate-ME098105-C11516--
2-Keto-glutaramic acid2-Keto-glutaramic acidME09813848C00940--
3-Hydroxy-L-prolinecis-3-HydroxyprolineME09799011137200C04397--
3-Indoleacetic AcidIndoleacetic acidME098130802C00954--
3-methyl pyruvic acid3-Methyl pyruvic acidME09815158C00109--
4-Hydroxypyridine4-PyridoneME098139----
5-Aminoimidazole-4-carboxamide5-Aminoimidazole-4-carboxamideME0981479679C04051--
Aconitic acidcis-Aconitic acidME098094643757C00417--
AdenineAdenineME098152190C00147--
AdenosineAdenosineME09808760961C00212--
ADMADimethylarginineME097987123831C03626--
ADPADPME0981156022C00008--
AlanineAlanineME0979395950C00041--
Aminobutyric acidgamma-Aminobutyric acidME098141-C02261--
Aminolevulinic Acid5-Amino-levulinic acidME098124137C00430--
AMPAMPME0980026083C00020--
Arachidonic AcidArachidonic acidME098061444899C00219--
ArginineArginineME0979796322C00062--
Ascorbic acidVitamin CME09811254670067C00072--
AsparagineAsparagineME0979756267C00152--
AspartateAspartic acidME0979025960C00049--
Aspartic acid b-semialdehyde-ME098092-C00441--
Butyric acidButyric acidME09805120975673C00246--
Cinnamic acidCinnamic acidME0981255372954C10438--
Citric acidCitric acidME098095311C00158--
CitrullineCitrullineME0980069750C00327--
CMPCMPME0979516131C00055--
Coumaric acid-ME098018-C00811--
CreatineCreatineME097984586C00300--
CreatinineCreatinineME098107588C00791--
CysteineCysteineME097910594C00491--
CytidineCytidineME0979746175C00475--
CytosineCytosineME097894597C00380--
D-Erythrose 4-phosphateErythrose 4-phosphateME098106122357C00279--
D-Glycerate 3-phosphate3-Phosphoglyceric acidME098133439183C00197--
DihydrouracilDihydrouracilME098150649C00429--
ErythruloseErythruloseME098118162406C02045--
FormylmethionineN-FormylmethionineME0981196995182C03145--
FucoseFucoseME09813519466C01019--
FumarateFumaric acidME098100444972C00122--
GlucoseGlucoseME0978725793C00221--
Glucose 6-phosphateGlucose 6-phosphateME0979685958C00092--
Glucuronic acidGlucuronic acidME09809694715C00191--
GlutamateGlutamic acidME097895-C00025--
GlutamineGlutamineME0979645961C00064--
Glutaric acidGlutaric acidME098117743C00489--
GlutathioneGlutathioneME097933124886C00051--
Glutathione, oxidizedOxidized glutathioneME097980-C00127--
Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME097885439168C00118--
Glyceric acidGlyceric acidME098045439194C00258--
GlycerolGlycerolME098059753C00116--
Glycerol 2-phosphatesn-Glycero-2-phosphateME0981402526C02979--
Glycolic acidGlycolic acidME098120757C00160--
Guanidineacetic acidGuanidoacetic acidME098072-C00581--
GuanosineGuanosineME0981236802C00387--
Gulonic acidGulonic acidME098121152304C00800--
HistidineHistidineME0979266274C00135--
HistidinolL-HistidinolME097998165271C00860--
Homocysteinesulfinic acidHomocysteinesulfinic acidME098104161712---
Hydantoin-5-propionic acidHydantoin-5-propionic acidME098145782C05565--
Hydroxyhydroquinone1,2,4-TrihydroxybenzeneME09788810787C02814--
Hydroxyisobutyric acid-ME098127-C01188--
Hydroxy-L-glutamic acid-ME097928-C03079--
Hydroxypyruvic acidHydroxypyruvic acidME098153964C00168--
HypotaurineHypotaurineME097886107812C00519--
HypoxanthineHypoxanthineME098035790C00262--
IMPIMPME0980548582C00130--
InosineInosineME0980686021C00294--
IsoleucineIsoleucineME0979536306C00407--
ketoisovaleric acidKetoisovaleric acidME09813749C00141--
KetoleucineKetoleucineME09802570C00233--
Lactic acidLactic acidME098099107689C01432--
Lauric acidLauric acidME0978743893C02679--
L-Homocysteic acidHomocysteic acidME097875-C16511--
LysineLysineME0979435962C00047--
Maleamic acidMaleamateME098126-C01596--
Malic acidMalic acidME098097222656C03668--
MannitolMannitolME0981296251C00392--
MethionineMethionineME0979466137C00073--
Myristic acidMyristic acidME09810211005C06424--
N-acetylaspartateN-Acetylaspartic acidME09789865065C01042--
N-AcetylcadaverineN-AcetylcadaverineME097873189087---
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME098142439174C00140--
N-CarbamoylputrescineN-CarbamoylputrescineME097952502C00436--
Nicotinuric acidNicotinuric acidME09814468499C05380--
O-PhosphorylethanolaminePhosphoethanolamineME0980401015C00346--
OrnithineOrnithineME0978776262C01602--
Oxalic acidOxalic acidME098116971C00209--
OxaloacetateOxaloacetic acidME098146970C00036--
Oxoglutaric acidOxoglutaric acidME09810351C00026--
Pantothenic AcidPantothenic acidME098008988C00864--
Pentadecylic acidPentadecylic acidME09811313849C16537--
PhenylalaninePhenylalanineME0979326140C00079--
Phosphatidyl glycerol-ME098111-C03274--
Phosphonopyruvate-ME098149-C02798--
Pipecolic acidPipecolic acidME098143849C00408--
ProlineProlineME097989145742C00148--
Proline betaineProline betaineME098136115244C10172--
Propionyl-L-carnitineCAR 3:0ME097906188824C03017--
Pyridoxal (Vitamin B6)-ME098034-C00250--
Pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME09815412473C05942--
Pyrroline hydroxycarboxylic acidPyrroline hydroxycarboxylic acidME0981011059C04281--
PyruvatePyruvic acidME0981081060C00022--
RiboseRiboseME0981285779C00121--
Ribose 5-phosphateRibose 5-phosphateME098017439167C00117--
SarcosineSarcosineME0980601088C00213--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME098148165007C05382--
SerineSerineME0979445951C00065--
Succinic acid semialdehydeSuccinic acid semialdehydeME0979851112C00232--
SucroseSucroseME0979935988C00089--
Tartaric acidTartaric acidME098109444305C00898--
TaurineTaurineME0979091123C00245--
TaurocyamineTaurocyamineME09813268340C01959--
ThreonateD-Threonic acidME0981105460407C01620--
ThreonineThreonineME0979676288C00188--
ThymidineThymidineME0980985789C00214--
ThymineThymineME0979911135C00178--
TryptophanTryptophanME0979636305C00078--
TyrosineTyrosineME0979366057C00082--
UMPUMPME0980046030C00105--
UracilUracilME0981311174C00106--
Uric acidUric acidME0980571175C00366--
UridineUridineME0981226029C00299--
ValineValineME0978936287C00183--
XanthineXanthineME0981341188C00385--


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