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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
1 8 Diazabicyclo 5 4 0 undec 7 ene-ME426203----
1 Methyladenosine1-MethyladenosineME426204----
1 Methylhistidine1-MethylhistidineME426205----
20 Dihydrocortisol-ME426209----
2 4 Xylidine-ME426206----
2 Acetamidophenol-ME426207----
(2-oxo-2_3-dihydro-1H-indol-3-yl)acetic acid-ME426202----
2 Pyridylacetic acid3-Pyridylacetic acidME426208----
3 5 9 3 6 19 Trihydroxyurs 12 en 28 oic acid-ME426210----
3 Hydroxy 2 methylpyridine-ME426211----
3 Hydroxypyridine3-HydroxypyridineME426212----
4 Acetamidobutanoic acid4-Acetamidobutanoic acidME426213----
4 Pentylaniline-ME426214----
5 Nitro o toluidine-ME426215----
6 Methyl 1 2 4 triazolo 4 3 b pyridazin 8 ol-ME426216----
6 Methylbenzoxazole-ME426217----
Acetaminophen glucuronidep-AcetamidophenylglucuronideME426218----
Acetoacetanilide-ME426219----
AcetylcholineAcetylcholineME426221----
Acetyl L carnitineCAR 2:0ME426220----
AdenosineAdenosineME426222----
AllopurinolAllopurinolME426223----
ARGININEArginineME426224----
AtorvastatinAtorvastatinME426225----
AzithromycinAzithromycinME426226----
BetaineBetaineME426227----
BilirubinBilirubinME426228----
Bis 2 ethylhexyl phthalateBis(2-ethylhexyl)phthalateME426229----
CaprolactamEpsilon-caprolactamME426230----
CholineCholineME426231----
cis 4 Hydroxy D prolinecis-4-Hydroxy-D-prolineME426232----
CreatineCreatineME426233----
CreatinineCreatinineME426234----
CyclohexylamineCyclohexylamineME426235----
Cyclo-prolylglycine-ME426236----
CytarabineCytarabineME426237----
CytosineCytosineME426238----
DecanamideDecanamideME426240----
DecanoylcarnitineCAR 10:0ME426241----
Diethyleneglycol diacetate-ME426242----
Dimethyl cyclohexane 1 4 dicarboxylate-ME426243----
Dimetridazole-ME426244----
DL 3 Aminoisobutyric acid3-Aminoisobutanoic acidME426245----
DL GlutamineGlutamineME426246----
DL Leucineamide-ME426247----
DL StachydrineStachydrineME426248----
DL TryptophanTryptophanME426249----
D ProlineD-ProlineME426239----
EcgonineEcgonineME426250----
Ecgonine methyl ester-ME426251----
Eleostearic acid-ME426252----
Erucamide13Z-DocosenamideME426253----
GLUTARYLCARNITINECAR DC5:0ME426254----
GLYCOCHENODEOXYCHOLATEGlycochenodeoxycholic acidME426255----
Glycocholic acidGlycocholic acidME426256----
Guanidineacetic acidGuanidoacetic acidME426257----
HexanoylcarnitineCAR 6:0ME426258----
IsoleucineIsoleucineME426259----
Kynurenic acidKynurenic acidME426260----
KynurenineKynurenineME426261----
LAUROYLCARNITINECAR 12:0ME426273----
L CarnitineCarnitineME426264----
L CitrullineCitrullineME426262----
L CystineCystineME426265----
lenticinLenticinME426274----
L ErgothioneineErgothioneineME426266----
LeucineLeucineME426275----
L Glutamic acidGlutamic acidME426267----
L HistidineHistidineME426268----
LinezolidLinezolidME426276----
L MethionineMethionineME426263----
L PhenylalaninePhenylalanineME426269----
L SerineSerineME426270----
L TyrosineTyrosineME426271----
L ValineValineME426272----
Mefenamic acidMefenamic acidME426277----
Methacrylamide-ME426278----
N1 2 3 Dihydro 1H inden 5 yl acetamide-ME426283----
N2_N2-DimethylguanosineN2,N2-DimethylguanosineME426284----
N4 AcetylcytidineN4-AcetylcytidineME426285----
NicotinamideNiacinamideME426286----
Nicotinyl alcohol-ME426287----
N L Acetyl arginine-ME426279----
N-MethylanilineN-MethylanilineME426288----
N_N-DIMETHYLARGININE-ME426281----
N_N-DimethylglycineDimethylglycineME426282----
NornicotineNornicotineME426289----
N Phenylacetylglutamine-ME426280----
Octanoyl-L-CarnitineCAR 8:0ME426290----
Pantothenic acidPantothenic acidME426291----
PEG n5Pentaethylene glycolME426292----
Pipecolic acidPipecolic acidME426293----
PiperidinePiperidineME426294----
PiperinePiperineME426295----
PPG n4-ME426296----
PPG n5-ME426297----
ProlylleucinePro-LeuME426298----
PropionylcarnitineCAR 3:0ME426299----
PyridoxinePyridoxineME426300----
SARCOSINESarcosineME426301----
Skatole3-MethylindoleME426302----
TaurineTaurineME426303----
Terbucarb-ME426304----
TheophyllineTheophyllineME426305----
trans 3 Indoleacrylic acidtrans-3-Indoleacrylic acidME426306----


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
1_4-Cyclohexanedicarboxylic acid-ME426310----
14 Z Eicosenoic acid-ME426311----
1 5 Anhydro D glucitol-ME426308----
16 Hydroxyhexadecanoic acidJuniperic acidME426312----
1 Methyluric acid1-Methyluric acidME426309----
2 5 di tert Butylhydroquinone-ME426313----
2 Aminoadipic acidalpha-Aminoadipic acidME426314----
2 Hydroxy 2 methylbutyric acid2-Hydroxy-2-methyl-butyric acidME426315----
2-HYDROXYBUTYRIC ACID2-Hydroxybutyric acidME426319----
2 Hydroxycaproic acid2-Hydroxyhexanoic acidME426316----
2 Hydroxyhippuric acidSalicyluric acidME426317----
2-hydroxyquinoline2-HydroxyquinolineME426320----
2 Oxobutyric acid3-Methyl pyruvic acidME426318----
3 2 6 Dioxocyclohexyl propanenitrile-ME426321----
3 4 Hydroxyphenyl propionic acidDesaminotyrosineME426322----
3-HYDROXYBUTANOIC ACID3-Hydroxybutyric acidME426326----
3 Hydroxybutyric acid3-Hydroxybutyric acidME426323----
3-Hydroxysebacic acid3-Hydroxysebacic acidME426327----
3-Indoleacetic acidIndoleacetic acidME426328----
3 Indoxyl sulphateIndoxyl sulfateME426324----
3 Methylxanthine3-MethylxanthineME426325----
4 Acetamidobutanoic acid4-Acetamidobutanoic acidME426329----
4-Hydroxyhippuric acid4-Hydroxyhippuric acidME426331----
4-methyl-2-oxopentanoic acidKetoleucineME426332----
4 MethylphenolP-CresolME426330----
4-Pyridoxic acid4-Pyridoxic acidME426333----
5-Hydroxy-3-indoleacetic acid5-Hydroxyindoleacetic acidME426334----
6 Methyl 1 2 4 triazolo 4 3 b pyridazin 8 ol-ME426335----
9 Z 11 E Conjugated linoleic acid-ME426336----
AcesulfameAcesulfameME426337----
Acetaminophen glucuronidep-AcetamidophenylglucuronideME426338----
Adrenic acidAdrenic acidME426339----
AlanineAlanineME426340----
AllantoinAllantoinME426341----
Allethrin-ME426342----
Arachidic acidArachidic acidME426343----
Arachidonic acidArachidonic acidME426344----
Benzoic acidBenzoic acidME426345----
Caprylic acidCaprylic acidME426346----
CinnamoylglycineCinnamoylglycineME426347----
cis 2 Decenoic acid-ME426348----
CITRAMALATECitramalic acidME426349----
Citric acid (Not validated_ isomer of 227)-ME426350----
CitrullineCitrullineME426351----
CMPF3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME426352----
CreatineCreatineME426353----
CREATININECreatinineME426354----
Decanoic acidCapric acidME426361----
Dehydroascorbic acidDehydroascorbic acidME426362----
D FructoseFructoseME426355----
D Glucopyranuronic acidGlucuronic acidME426359----
D GlutamineD-GlutamineME426356----
D Hydroxyglutaric acidD-2-Hydroxyglutaric acidME426360----
DL 4 Hydroxyphenyllactic acidHydroxyphenyllactic acidME426363----
DL Lactic Acid-ME426364----
D MannoseMannoseME426357----
D-PANTOTHENIC ACIDPantothenic acidME426365----
D TryptophanD-TryptophanME426358----
EcgonineEcgonineME426366----
Ethyl myristateEthyl tetradecanoateME426367----
EupatilinEupatilinME426368----
FAHFA 36:2FAHFA 36:2;OME426369----
FORMYL-L-METHIONYL PEPTIDEN-FormylmethionineME426370----
FurosemideFurosemideME426371----
Gluconic acidGluconic acidME426372----
GLYCOCHOLATEGlycocholic acidME426373----
Glycoursodeoxycholic acidGlycoursodeoxycholic acidME426374----
Heptadecanoic acidMargaric acidME426375----
Hexadecanedioic acidHexadecanedioic acidME426376----
Hexanoic acidCaproic acidME426377----
Hippuric acidHippuric acidME426378----
HypoxanthineHypoxanthineME426379----
Indole 3 lactic acidIndole-3-lactic acidME426380----
ISOLEUCINEIsoleucineME426381----
Kynurenic acidKynurenic acidME426382----
KYNURENINEKynurenineME426383----
Lacosamide-ME426395----
L-ASPARAGINEAsparagineME426396----
L Aspartic acidAspartic acidME426387----
Lauric acidLauric acidME426397----
L Cysteine S sulfateCysteine-S-sulfateME426388----
Levulinic acidLevulinic acidME426398----
L Glutamic acidGlutamic acidME426389----
L HistidineHistidineME426390----
L IditolL-IditolME426391----
Linolenic acidOctadecatrienoic acidME426399----
L-IsoleucineIsoleucineME426400----
L Lactic acidLactic acidME426384----
L Malic acidMalic acidME426385----
L-ProlineProlineME426401----
L SerineSerineME426392----
L Tartaric acidTartaric acidME426386----
L Threonic acidThreonic acidME426393----
L TyrosineTyrosineME426394----
Myristic acidMyristic acidME426402----
N AcetylalanineN-AcetylalanineME426407----
N-ACETYLASPARTATEN-Acetylaspartic acidME426410----
N Acetyl D galactosamine 4 sulfateN-Acetylgalactosamine 4-sulfateME426403----
N Acetyl DL norvaline-ME426404----
N-ACETYL-DL-SERINEN-AcetylserineME426411----
N Acetyl DL tryptophanN-Acetyl-tryptophanME426405----
N Acetyl L methionineN-AcetylmethionineME426406----
Nicotinuric acidNicotinuric acidME426412----
N IsobutyrylglycineIsobutyrylglycineME426408----
Nonanoic acidPelargonic acidME426413----
N Phenylacetylglutamine-ME426409----
Oleic acidOleic acidME426414----
ParacetamolAcetaminophenME426415----
Pentadecanoic acidPentadecylic acidME426416----
PhenylalaninePhenylalanineME426417----
Pimelic acidPimelic acidME426418----
PseudouridinePseudouridineME426419----
raspberry ketone-ME426420----
SaccharinSaccharinME426421----
Salicylic acidSalicylic acidME426422----
Sodium DeoxycholateDeoxycholic acidME426423----
SORBATESorbic acidME426424----
SorboseSorboseME426425----
Stearic acidStearic acidME426426----
Succinic acidSuccinic acidME426427----
TaurineTaurineME426428----
Taurocholic acidTaurocholic acidME426429----
Testosterone sulfateTestosterone sulfateME426430----
Tetradecanedioic acidTetradecanedioic acidME426431----
TheophyllineTheophyllineME426432----
ThreonineThreonineME426433----
TrehaloseTrehaloseME426434----
UracilUracilME426435----
XanthineXanthineME426436----
(Z)-3-Hydroxyoctadec-7-enoic acid-ME426307----


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
ACar 10:1_1.716CAR 10:1ME426437----
ACar 14:1_2.69CAR 14:1ME426438----
ACar 18:1_5.513CAR 18:1ME426439----
ACar 18:2_4.139CAR 18:2ME426440----
CE 16:0_24.802CE 16:0ME426455----
CE 16:1_24.428CE 16:1ME426456----
CE 18:1_24.767CE 18:1ME426457----
CE 18:2_24.45CE 18:2ME426458----
CE 18:3_24.18CE 18:3ME426459----
CE 20:3_24.516CE 20:3ME426460----
CE 20:4_24.252CE 20:4ME426461----
CE 20:5_23.975CE 20:5ME426462----
CE 22:4_24.553CE 22:4ME426463----
CE 22:5_24.335CE 22:5ME426464----
CE 22:6_24.09CE 22:6ME426465----
Cer_NS d18:1_16:0_17.788Cer 18:1;O2/16:0ME426441----
Cer_NS d18:1_18:0_18.975Cer 18:1;O2/18:0ME426442----
Cer_NS d18:1_20:0_20.008Cer 18:1;O2/20:0ME426443----
Cer_NS d18:1_22:0_20.889Cer 18:1;O2/22:0ME426444----
Cer_NS d18:1_23:0_21.288Cer 18:1;O2/23:0ME426445----
Cer_NS d18:1_24:0_21.657Cer 18:1;O2/24:0ME426446----
Cer_NS d18:1_24:1_20.867Cer 18:1;O2/24:1ME426447----
Cer_NS d18:1_25:0_22.003Cer 18:1;O2/25:0ME426448----
Cer_NS d18:2_16:0_16.67Cer 18:2;O2/16:0ME426449----
Cer_NS d18:2_22:0_20.172Cer 18:2;O2/22:0ME426450----
Cer_NS d18:2_23:0_20.666Cer 18:2;O2/23:0ME426451----
Cer_NS d18:2_24:1_20.136Cer 18:2;O2/24:1ME426452----
Cer_NS d19:1_24:0_21.876Cer 19:1;O2/24:0ME426453----
Cer_NS d19:1_24:1_21.097Cer 19:1;O2/24:1ME426454----
DG 16:0_18:1_19.869DG 16:0_18:1ME426466----
DG 16:0_18:2_19.082DG 16:0_18:2ME426467----
DG 16:0_20:4_18.845DG 16:0_20:4ME426468----
DG 16:1_18:2_18.098DG 16:1_18:2ME426469----
DG 18:0_18:0_21.458DG 18:0_18:0ME426470----
DG 18:0_18:1_20.74DG 18:0_18:1ME426471----
DG 18:0_20:4_19.894DG 18:0_20:4ME426472----
DG 18:1_18:1_19.963DG 18:1_18:1ME426473----
DG 18:1_18:2_19.189DG 18:1_18:2ME426474----
DG 18:1_20:4_18.958DG 18:1_20:4ME426475----
DG 18:1_22:6_18.62DG 18:1_22:6ME426476----
DG 18:2_18:2_18.336DG 18:2_18:2ME426477----
DG 18:2_20:4_18.087DG 18:2_20:4ME426478----
DG 18:2_20:5_17.26DG 18:2_20:5ME426479----
DG 18:2_22:6_17.744DG 18:2_22:6ME426480----
HexCer_NS d18:1_16:0_16.362HexCer 18:1;O2/16:0ME426481----
LPC 0:0/14:0_3.126LPC 0:0/14:0ME426482----
LPC 0:0/16:0_4.715LPC 0:0/16:0ME426483----
LPC 0:0/16:1_3.451LPC 0:0/16:1ME426484----
LPC 0:0/18:0_6.997LPC 0:0/18:0ME426485----
LPC 0:0/18:1_5.167LPC 0:0/18:1ME426486----
LPC 0:0/18:2_3.873LPC 0:0/18:2ME426487----
LPC 0:0/20:4_3.763LPC 0:0/20:4ME426488----
LPC 0:0/22:6_3.56LPC 0:0/22:6ME426490----
LPC 0:0/22:6_3.703LPC 0:0/22:6ME426489----
LPC 14:0/0:0_3.387LPC 14:0/0:0ME426491----
LPC 15:0/0:0_4.164LPC 15:0/0:0ME426492----
LPC 16:0/0:0_5.147LPC 16:0/0:0ME426493----
LPC 16:1/0:0_3.734LPC 16:1/0:0ME426494----
LPC 17:0/0:0_6.28LPC 17:0/0:0ME426495----
LPC 17:1/0:0_4.568LPC 17:1/0:0ME426496----
LPC 18:0/0:0_7.547LPC 18:0/0:0ME426497----
LPC 18:1/0:0_5.589LPC 18:1/0:0ME426498----
LPC 18:2/0:0_4.195LPC 18:2/0:0ME426499----
LPC 18:3/0:0_3.277LPC 18:3/0:0ME426500----
LPC 20:2/0:0_6.105LPC 20:2/0:0ME426501----
LPC 20:3/0:0_4.813LPC 20:3/0:0ME426502----
LPC 20:4/0:0_4.03LPC 20:4/0:0ME426503----
LPC 22:5/0:0_4.34LPC 22:5/0:0ME426504----
LPC 22:6/0:0_3.796LPC 22:6/0:0ME426505----
LPE 18:0_7.612LPE 18:0ME426506----
LPE 18:1_5.683LPE 18:1ME426507----
LPE 18:2_4.276LPE 18:2ME426508----
PC 14:0_16:0_16.644PC 14:0_16:0ME426509----
PC 14:0_18:2_15.62PC 14:0_18:2ME426510----
PC 14:0_20:4_15.259PC 14:0_20:4ME426511----
PC 15:0_18:2_16.351PC 15:0_18:2ME426512----
PC 15:0_20:3_16.684PC 15:0_20:3ME426513----
PC 15:0_20:4_16.108PC 15:0_20:4ME426514----
PC 15:0_22:6_15.665PC 15:0_22:6ME426515----
PC 16:0_16:0_18.138PC 16:0/16:0ME426516----
PC 16:0_16:1_16.744PC 16:0_16:1ME426517----
PC 16:0_18:1_18.21PC 16:0_18:1ME426518----
PC 16:0_18:2_17.084PC 16:0_18:2ME426519----
PC 16:0_18:2_21.453PC 16:0_18:2ME426520----
PC 16:0_18:3_16.227PC 16:0_18:3ME426521----
PC 16:0_18:3_18.089PC 16:0_18:3ME426522----
PC 16:0_19:1_18.975PC 16:0_19:1ME426523----
PC 16:0_20:3_17.457PC 16:0_20:3ME426524----
PC 16:0_20:4_16.718PC 16:0_20:4ME426525----
PC 16:0_20:4_18.286PC 16:0_20:4ME426526----
PC 16:0_20:5_15.799PC 16:0_20:5ME426527----
PC 16:0_20:5_16.646PC 16:0_20:5ME426528----
PC 16:0_22:5_16.866PC 16:0_22:5ME426529----
PC 16:0_22:6_16.377PC 16:0_22:6ME426530----
PC 16:0_22:6_16.7PC 16:0_22:6ME426531----
PC 16:0_22:6_17.501PC 16:0_22:6ME426532----
PC 16:1_18:2_15.798PC 16:1_18:2ME426533----
PC 17:0_15:1_18.388PC 15:1_17:0ME426534----
PC 17:0_18:2_17.887PC 17:0_18:2ME426535----
PC 17:0_20:4_17.502PC 17:0_20:4ME426536----
PC 17:0_22:6_16.874PC 17:0_22:6ME426538----
PC 17:0_22:6_17.115PC 17:0_22:6ME426537----
PC 18:0_18:1_19.731PC 18:0_18:1ME426539----
PC 18:0_18:2_18.57PC 18:0_18:2ME426540----
PC 18:0_20:3_18.949PC 18:0_20:3ME426541----
PC 18:0_20:4_18.189PC 18:0_20:4ME426542----
PC 18:0_20:4_19.68PC 18:0_20:4ME426543----
PC 18:0_20:5_17.3PC 18:0_20:5ME426544----
PC 18:0_22:4_19.313PC 18:0_22:4ME426545----
PC 18:0_22:5_18.311PC 18:0_22:5ME426546----
PC 18:0_22:6_17.854PC 18:0_22:6ME426547----
PC 18:0_22:6_18.959PC 18:0_22:6ME426548----
PC 18:1_18:2_17.198PC 18:1_18:2ME426549----
PC 18:1_20:1_19.939PC 18:1_20:1ME426550----
PC 18:1_22:6_16.625PC 18:1_22:6ME426551----
PC 18:2_18:2_16.159PC 18:2/18:2ME426552----
PC 18:2_22:6_15.427PC 18:2_22:6ME426553----
PC 20:4_20:4_15.512PC 20:4/20:4ME426554----
PC 20:4_22:4_16.621PC 20:4_22:4ME426555----
PC 34:2_10.88PC 34:2ME426556----
PC 34:3_16.123PC 34:3ME426557----
PC 36:1_20.57PC 36:1ME426558----
PC 36:2_20.673PC 36:2ME426559----
PC 36:2_21.45PC 36:2ME426560----
PC 36:5_17.995PC 36:5ME426561----
PC 38:6_15.829PC 38:6ME426562----
PC 38:7_14.794PC 38:7ME426563----
PC 40:5_18.706PC 40:5ME426564----
PC 40:6_17.171PC 40:6ME426565----
PC 42:7_17.895PC 42:7ME426566----
PE 16:0_18:1_17.806PE 16:0_18:1ME426567----
PE 16:0_18:2_16.83PE 16:0_18:2ME426568----
PE 16:0_20:4_16.641PE 16:0_20:4ME426569----
PE 16:0_20:5_15.724PE 16:0_20:5ME426570----
PE 16:0_22:6_16.282PE 16:0_22:6ME426571----
PE 18:0_18:1_18.95PE 18:0_18:1ME426572----
PE 18:1_18:2_16.99PE 18:1_18:2ME426573----
PE 18:1_22:6_16.438PE 18:1_22:6ME426574----
PE 38:5_17.129PE 38:5ME426575----
PS 18:0_20:4_16.609PS 18:0_20:4ME426577----
PS 18:0_20:4_16.621PS 18:0_20:4ME426576----
SM d16:1_16:0_14.553SM 16:1;O2/16:0ME426578----
SM d18:1_18:0_17.845SM 18:1;O2/18:0ME426579----
SM d33:1_15.445SM 33:1;O2ME426580----
SM d34:0_16.742SM 34:0;O2ME426581----
SM d34:1_16.255SM 34:1;O2ME426582----
SM d34:1_16.642SM 34:1;O2ME426583----
SM d34:2_14.852SM 34:2;O2ME426584----
SM d35:1_17.036SM 35:1;O2ME426585----
SM d36:1_18.566SM 36:1;O2ME426586----
SM d36:2_16.613SM 36:2;O2ME426587----
SM d38:1_19.289SM 38:1;O2ME426588----
SM d38:3_16.676SM 38:3;O2ME426589----
SM d40:1_20.594SM 40:1;O2ME426591----
SM d40:1_20.651SM 40:1;O2ME426590----
SM d40:2_19.434SM 40:2;O2ME426592----
SM d40:2_19.512SM 40:2;O2ME426593----
SM d41:1_21.207SM 41:1;O2ME426595----
SM d41:1_21.424SM 41:1;O2ME426594----
SM d41:2_20.071SM 41:2;O2ME426596----
SM d42:2_20.448SM 42:2;O2ME426598----
SM d42:2_20.646SM 42:2;O2ME426597----
SM d42:2_20.748SM 42:2;O2ME426599----
SM d42:2_21.455SM 42:2;O2ME426600----
SM d42:3_19.412SM 42:3;O2ME426601----
SphingosineSphingosineME426750----
Sphingosine 1-phosphateSphingosine 1-phosphateME426749----
TG 12:0_12:0_16:0_22.401TG 12:0_12:0_16:0ME426602----
TG 12:0_14:0_16:0_22.905TG 12:0_14:0_16:0ME426603----
TG 12:0_16:0_16:0_23.315TG 12:0_16:0_16:0ME426604----
TG 12:0_16:0_18:1_23.333TG 12:0_16:0_18:1ME426605----
TG 12:0_16:0_18:2_22.981TG 12:0_16:0_18:2ME426606----
TG 12:0_16:0_18:3_22.617TG 12:0_16:0_18:3ME426607----
TG 14:0_15:0_16:0_23.503TG 14:0_15:0_16:0ME426608----
TG 14:0_16:0_16:0_23.673TG 14:0_16:0_16:0ME426609----
TG 14:0_16:0_18:1_23.682TG 14:0_16:0_18:1ME426610----
TG 14:0_16:0_18:2_23.371TG 14:0_16:0_18:2ME426611----
TG 14:0_18:2_18:2_23.087TG 14:0_18:2_18:2ME426612----
TG 14:0_18:2_18:2_23.151TG 14:0_18:2_18:2ME426613----
TG 14:0_18:2_18:3_22.749TG 14:0_18:2_18:3ME426614----
TG 15:0_16:0_16:0_23.843TG 15:0_16:0_16:0ME426615----
TG 15:0_16:0_16:1_23.524TG 15:0_16:0_16:1ME426616----
TG 15:0_16:0_18:1_23.851TG 15:0_16:0_18:1ME426617----
TG 15:0_16:0_18:2_23.554TG 15:0_16:0_18:2ME426618----
TG 15:0_18:1_18:2_23.574TG 15:0_18:1_18:2ME426619----
TG 15:0_18:2_18:2_23.265TG 15:0_18:2_18:2ME426620----
TG 16:0_16:0_16:0_23.992TG 16:0/16:0/16:0ME426621----
TG 16:0_16:0_17:0_24.128TG 16:0_16:0_17:0ME426622----
TG 16:0_16:0_18:0_23.741TG 16:0_16:0_18:0ME426624----
TG 16:0_16:0_18:0_24.284TG 16:0_16:0_18:0ME426623----
TG 16:0_16:0_18:1_24.001TG 16:0_16:0_18:1ME426625----
TG 16:0_16:0_18:2_23.712TG 16:0_16:0_18:2ME426626----
TG 16:0_16:0_20:4_23.631TG 16:0_16:0_20:4ME426627----
TG 16:0_16:0_22:6_23.454TG 16:0_16:0_22:6ME426628----
TG 16:0_16:1_18:2_23.395TG 16:0_16:1_18:2ME426629----
TG 16:0_16:4_18:1_22.917TG 16:0_16:4_18:1ME426630----
TG 16:0_17:0_18:1_24.138TG 16:0_17:0_18:1ME426631----
TG 16:0_17:1_18:1_23.865TG 16:0_17:1_18:1ME426632----
TG 16:0_17:1_20:4_23.476TG 16:0_17:1_20:4ME426633----
TG 16:0_18:0_18:0_24.54TG 16:0_18:0_18:0ME426634----
TG 16:0_18:0_18:1_24.285TG 16:0_18:0_18:1ME426635----
TG 16:0_18:0_18:2_23.97TG 16:0_18:0_18:2ME426636----
TG 16:0_18:1_18:1_24.01TG 16:0_18:1_18:1ME426637----
TG 16:0_18:1_18:2_23.74TG 16:0_18:1_18:2ME426638----
TG 16:0_18:1_18:2_24.592TG 16:0_18:1_18:2ME426639----
TG 16:0_18:1_20:3_23.805TG 16:0_18:1_20:3ME426640----
TG 16:0_18:1_20:4_23.643TG 16:0_18:1_20:4ME426641----
TG 16:0_18:1_22:0_24.773TG 16:0_18:1_22:0ME426642----
TG 16:0_18:1_22:4_23.865TG 16:0_18:1_22:4ME426643----
TG 16:0_18:1_22:5_23.646TG 16:0_18:1_22:5ME426644----
TG 16:0_18:1_22:6_23.545TG 16:0_18:1_22:6ME426645----
TG 16:0_18:2_18:2_23.443TG 16:0_18:2_18:2ME426647----
TG 16:0_18:2_18:2_23.446TG 16:0_18:2_18:2ME426646----
TG 16:0_18:2_20:4_23.347TG 16:0_18:2_20:4ME426648----
TG 16:0_18:2_22:6_23.182TG 16:0_18:2_22:6ME426649----
TG 16:0_20:4_22:6_22.884TG 16:0_20:4_22:6ME426650----
TG 16:0_20:4_22:6_23.06TG 16:0_20:4_22:6ME426651----
TG 16:1_18:0_18:1_24.025TG 16:1_18:0_18:1ME426652----
TG 16:1_18:2_18:3_22.774TG 16:1_18:2_18:3ME426653----
TG 17:0_18:0_18:1_24.389TG 17:0_18:0_18:1ME426654----
TG 17:0_18:1_18:1_24.147TG 17:0_18:1_18:1ME426655----
TG 17:0_18:1_18:2_23.89TG 17:0_18:1_18:2ME426656----
TG 17:0_18:1_22:6_23.616TG 17:0_18:1_22:6ME426657----
TG 17:0_18:2_18:2_23.609TG 17:0_18:2_18:2ME426658----
TG 17:1_18:2_18:2_23.292TG 17:1_18:2_18:2ME426659----
TG 18:0_18:0_18:0_24.763TG 18:0/18:0/18:0ME426660----
TG 18:0_18:0_18:1_24.536TG 18:0_18:0_18:1ME426661----
TG 18:0_18:1_18:1_24.301TG 18:0_18:1_18:1ME426662----
TG 18:0_18:1_20:4_23.959TG 18:0_18:1_20:4ME426663----
TG 18:0_18:1_22:4_24.148TG 18:0_18:1_22:4ME426664----
TG 18:0_18:1_22:5_23.963TG 18:0_18:1_22:5ME426665----
TG 18:1_18:1_18:1_24.04TG 18:1/18:1/18:1ME426666----
TG 18:1_18:1_18:2_23.768TG 18:1_18:1_18:2ME426667----
TG 18:1_18:1_19:1_24.14TG 18:1_18:1_19:1ME426668----
TG 18:1_18:1_22:4_23.929TG 18:1_18:1_22:4ME426669----
TG 18:1_18:1_22:5_23.631TG 18:1_18:1_22:5ME426670----
TG 18:1_18:2_18:2_23.469TG 18:1_18:2_18:2ME426671----
TG 18:1_18:2_19:1_23.902TG 18:1_18:2_19:1ME426672----
TG 18:1_18:2_20:4_23.35TG 18:1_18:2_20:4ME426673----
TG 18:1_18:2_22:0_24.553TG 18:1_18:2_22:0ME426674----
TG 18:1_18:2_22:5_23.338TG 18:1_18:2_22:5ME426675----
TG 18:1_18:2_22:6_23.218TG 18:1_18:2_22:6ME426676----
TG 18:1_20:4_22:5_23.223TG 18:1_20:4_22:5ME426677----
TG 18:1_20:4_22:6_22.913TG 18:1_20:4_22:6ME426679----
TG 18:1_20:4_22:6_23.069TG 18:1_20:4_22:6ME426678----
TG 18:1_22:5_22:6_23.055TG 18:1_22:5_22:6ME426680----
TG 18:2_18:2_18:2_23.149TG 18:2/18:2/18:2ME426681----
TG 18:2_18:2_18:3_22.876TG 18:2_18:2_18:3ME426682----
TG 18:2_20:4_20:5_22.56TG 18:2_20:4_20:5ME426683----
TG 18:2_20:4_22:6_22.72TG 18:2_20:4_22:6ME426684----
TG 18:2_20:5_20:5_22.158TG 18:2_20:5_20:5ME426685----
TG 18:2_20:5_22:6_22.354TG 18:2_20:5_22:6ME426686----
TG 46:2_22.97TG 46:2ME426687----
TG 48:1_23.671TG 48:1ME426688----
TG 48:3_22.999TG 48:3ME426690----
TG 48:3_23.014TG 48:3ME426689----
TG 48:4_22.619TG 48:4ME426691----
TG 49:3_23.227TG 49:3ME426692----
TG 50:1_23.447TG 50:1ME426695----
TG 50:1_23.957TG 50:1ME426693----
TG 50:1_24.001TG 50:1ME426694----
TG 50:2_23.689TG 50:2ME426696----
TG 50:3_23.425TG 50:3ME426697----
TG 50:4_23.061TG 50:4ME426698----
TG 50:5_22.753TG 50:5ME426699----
TG 50:6_22.444TG 50:6ME426700----
TG 51:1_24.147TG 51:1ME426701----
TG 51:2_23.87TG 51:2ME426702----
TG 51:5_22.972TG 51:5ME426704----
TG 51:5_23.042TG 51:5ME426703----
TG 52:1_24.291TG 52:1ME426705----
TG 52:5_23.144TG 52:5ME426707----
TG 52:5_23.146TG 52:5ME426706----
TG 52:6_22.78TG 52:6ME426710----
TG 52:6_22.9TG 52:6ME426708----
TG 52:6_22.918TG 52:6ME426709----
TG 53:2_24.155TG 53:2ME426711----
TG 53:3_23TG 53:3ME426712----
TG 53:4_23.767TG 53:4ME426713----
TG 54:1_24.536TG 54:1ME426714----
TG 54:2_24.3TG 54:2ME426715----
TG 54:3_24.076TG 54:3ME426716----
TG 54:5_23.489TG 54:5ME426717----
TG 54:5_23.633TG 54:5ME426718----
TG 54:6_23.153TG 54:6ME426719----
TG 54:6_23.335TG 54:6ME426720----
TG 54:7_22.815TG 54:7ME426723----
TG 54:7_22.999TG 54:7ME426722----
TG 54:7_23.041TG 54:7ME426721----
TG 54:8_22.623TG 54:8ME426724----
TG 54:8_22.717TG 54:8ME426725----
TG 55:2_24.403TG 55:2ME426726----
TG 55:7_23.298TG 55:7ME426727----
TG 56:2_24.536TG 56:2ME426728----
TG 56:3_24.3TG 56:3ME426729----
TG 56:5_23.908TG 56:5ME426730----
TG 56:6_23.628TG 56:6ME426731----
TG 56:7_23.343TG 56:7ME426733----
TG 56:7_23.502TG 56:7ME426732----
TG 56:7_23.507TG 56:7ME426734----
TG 56:8_23.026TG 56:8ME426736----
TG 56:8_23.036TG 56:8ME426735----
TG 56:8_23.184TG 56:8ME426737----
TG 56:9_22.689TG 56:9ME426739----
TG 56:9_22.713TG 56:9ME426738----
TG 58:10_23.026TG 58:10ME426740----
TG 58:11_22.547TG 58:11ME426741----
TG 58:2_24.762TG 58:2ME426742----
TG 58:4_24.335TG 58:4ME426743----
TG 58:7_23.815TG 58:7ME426744----
TG 58:8_23.529TG 58:8ME426745----
TG 58:9_23.213TG 58:9ME426746----
TG 60:12_22.718TG 60:12ME426747----
TG 62:13_22.9TG 62:13ME426748----


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
AcylGlcADG 54:1@24.827-ME426751----
AcylGlcADG 56:1@24.967-ME426752----
Cer_NS d17:1_18:0@18.419Cer 17:1;O2/18:0ME426753----
Cer_NS d18:1_26:1@21.593Cer 18:1;O2/26:1ME426754----
Cer_NS d18:2_24:2@19.354Cer 18:2;O2/24:2ME426755----
Cer_NS d20:1_22:0@21.168Cer 20:1;O2/22:0ME426756----
Cer_NS d26:2_17:0@21.238Cer 26:2;O2/17:0ME426757----
Cer_NS d32:1@16.469Cer 32:1;O2ME426758----
Cer_NS d33:1@17.154Cer 33:1;O2ME426759----
Cer_NS d34:1@17.798Cer 34:1;O2ME426760----
Cer_NS d34:2@16.699Cer 34:2;O2ME426761----
Cer_NS d36:1@18.99Cer 36:1;O2ME426762----
Cer_NS d36:2@18.023Cer 36:2;O2ME426763----
Cer_NS d37:1@19.53Cer 37:1;O2ME426764----
Cer_NS d38:1@20.011Cer 38:1;O2ME426765----
Cer_NS d38:2@19.182Cer 38:2;O2ME426766----
Cer_NS d39:1@20.504Cer 39:1;O2ME426767----
Cer_NS d40:1@20.896Cer 40:1;O2ME426768----
Cer_NS d40:2@20.033Cer 40:2;O2ME426770----
Cer_NS d40:2@20.183Cer 40:2;O2ME426769----
Cer_NS d40:3@19.204Cer 40:3;O2ME426771----
Cer_NS d41:1@21.162Cer 41:1;O2ME426773----
Cer_NS d41:1@21.3Cer 41:1;O2ME426772----
Cer_NS d41:2@20.459Cer 41:2;O2ME426775----
Cer_NS d41:2@20.645Cer 41:2;O2ME426774----
Cer_NS d42:1@21.664Cer 42:1;O2ME426776----
Cer_NS d42:2@20.853Cer 42:2;O2ME426777----
Cer_NS d42:2@21.048Cer 42:2;O2ME426778----
Cer_NS d42:3@20.143Cer 42:3;O2ME426779----
Cer_NS d43:1@21.881Cer 43:1;O2ME426780----
Cer_NS d43:1@22.008Cer 43:1;O2ME426781----
Cer_NS d43:2@21.102Cer 43:2;O2ME426782----
EtherPC 16:1e_18:2@17.894PC O-16:1/18:2ME426783----
EtherPC 16:1e_20:4@17.502PC O-16:1/20:4ME426784----
EtherPC 18:1e_20:4@17.939PC P-18:0/20:4 or PC O-18:1/20:4ME426785----
EtherPC 34:1e@19.423PC O-34:1ME426786----
EtherPC 44:6e@20.924PC O-44:6ME426787----
EtherPE 16:1e_18:1@18.505PE O-16:1/18:1ME426788----
EtherPE 16:1e_18:2@17.578PE O-16:1/18:2ME426789----
EtherPE 16:1e_18:3@16.684PE O-16:1/18:3ME426790----
EtherPE 16:1e_20:4@17.345PE O-16:1/20:4ME426791----
EtherPE 16:1e_20:5@16.471PE O-16:1/20:5ME426792----
EtherPE 16:1e_22:4@18.218PE O-16:1/22:4ME426793----
EtherPE 16:1e_22:6@16.978PE O-16:1/22:6ME426794----
EtherPE 18:1e_18:1@19.586PE O-18:1/18:1ME426795----
EtherPE 18:1e_18:2@18.77PE O-18:1/18:2ME426796----
EtherPE 18:1e_20:3@19.044PE O-18:1/20:3ME426797----
EtherPE 18:1e_20:4@18.551PE O-18:1/20:4ME426798----
EtherPE 18:1e_22:4@19.313PE O-18:1/22:4ME426799----
EtherPE 18:1e_22:4@19.621PE O-18:1/22:4ME426800----
EtherPE 18:1e_22:5@18.589PE O-18:1/22:5ME426801----
EtherPE 18:1e_22:6@18.225PE O-18:1/22:6ME426802----
EtherPE 18:2e_18:2@17.688PE O-18:2/18:2ME426803----
EtherPE 18:2e_20:4@17.456PE O-18:2/20:4ME426804----
EtherPE 18:2e_20:4@17.802PE O-18:2/20:4ME426805----
EtherPE 18:2e_20:5@16.658PE O-18:2/20:5ME426806----
EtherPE 18:2e_22:6@17.123PE O-18:2/22:6ME426807----
EtherPE 22:5e_20:4@16.992PE O-22:5_20:4*ME426808----
EtherPE 36:5e@16.701PE O-36:5ME426809----
EtherPE 36:6e@16.661PE O-36:6ME426810----
FA 16:0@10.314Palmitic acidME426811----
FA 18:0@12.791Stearic acidME426812----
FA 18:1@10.749Octadecenoic acidME426813----
HexCer_NS d18:1_16:0@16.382HexCer 18:1;O2/16:0ME426814----
HexCer_NS d36:1@17.679HexCer 36:1;O2ME426815----
HexCer_NS d40:1@19.797HexCer 40:1;O2ME426816----
HexCer_NS d42:3@18.977HexCer 42:3;O2ME426817----
LPC 16:0/0:0@5.185LPC 16:0/0:0ME426818----
LPC 18:0/0:0@7.599LPC 18:0/0:0ME426819----
LPC 18:1/0:0@5.631LPC 18:1/0:0ME426820----
LPC 18:2/0:0@4.227LPC 18:2/0:0ME426821----
LPC 20:4/0:0@4.062LPC 20:4/0:0ME426822----
LPE 16:0@5.262LPE 16:0ME426823----
LPE 18:0@7.653LPE 18:0ME426824----
LPI 18:0@5.799LPI 18:0ME426825----
PC 14:0_18:2@15.61PC 14:0_18:2ME426826----
PC 16:0_16:0@18.088PC 16:0/16:0ME426827----
PC 16:0_16:1@16.731PC 16:0_16:1ME426828----
PC 16:0_18:1@18.188PC 16:0_18:1ME426829----
PC 16:0_18:2@17.045PC 16:0_18:2ME426830----
PC 16:0_20:3@17.488PC 16:0_20:3ME426831----
PC 16:0_20:4@16.715PC 16:0_20:4ME426832----
PC 16:0_20:4@18.415PC 16:0_20:4ME426833----
PC 16:0_22:6@16.407PC 16:0_22:6ME426834----
PC 17:0_20:4@17.54PC 17:0_20:4ME426835----
PC 18:0_18:1@19.754PC 18:0_18:1ME426836----
PC 18:0_18:2@18.551PC 18:0_18:2ME426837----
PC 18:0_20:3@18.965PC 18:0_20:3ME426838----
PC 18:0_20:4@18.196PC 18:0_20:4ME426839----
PC 18:0_22:4@19.33PC 18:0_22:4ME426840----
PC 18:0_22:5@19.131PC 18:0_22:5ME426841----
PC 18:0_22:6@17.828PC 18:0_22:6ME426842----
PC 18:1_18:2@17.221PC 18:1_18:2ME426843----
PC 18:1_22:6@16.55PC 18:1_22:6ME426844----
PC 18:2_20:4@15.83PC 18:2_20:4ME426845----
PC 34:3@16.078PC 34:3ME426846----
PC 38:5@16.868PC 38:5ME426847----
PC 38:5@17.326PC 38:5ME426848----
PC 40:5@18.324PC 40:5ME426849----
PE 16:0_16:1@16.663PE 16:0_16:1ME426850----
PE 16:0_18:1@17.818PE 16:0_18:1ME426851----
PE 16:0_18:2@16.732PE 16:0_18:2ME426853----
PE 16:0_18:2@16.86PE 16:0_18:2ME426852----
PE 16:0_18:3@15.928PE 16:0_18:3ME426854----
PE 16:0_20:4@16.67PE 16:0_20:4ME426855----
PE 16:0_20:5@15.752PE 16:0_20:5ME426856----
PE 16:0_22:4@17.559PE 16:0_22:4ME426857----
PE 16:0_22:6@16.304PE 16:0_22:6ME426858----
PE 16:0_22:6@16.674PE 16:0_22:6ME426859----
PE 17:0_20:4@16.704PE 17:0_20:4ME426861----
PE 17:0_20:4@17.308PE 17:0_20:4ME426860----
PE 18:0_18:1@18.965PE 18:0_18:1ME426862----
PE 18:0_18:2@18.114PE 18:0_18:2ME426863----
PE 18:0_20:3@18.404PE 18:0_20:3ME426864----
PE 18:0_20:4@17.92PE 18:0_20:4ME426865----
PE 18:0_22:4@18.711PE 18:0_22:4ME426866----
PE 18:0_22:5@17.988PE 18:0_22:5ME426867----
PE 18:0_22:5@18.349PE 18:0_22:5ME426868----
PE 18:0_22:6@17.593PE 18:0_22:6ME426869----
PE 18:1_18:2@17.006PE 18:1_18:2ME426870----
PE 18:1_18:2@17.18PE 18:1_18:2ME426871----
PE 18:1_22:5@16.723PE 18:1_22:5ME426872----
PE 18:1_22:6@16.46PE 18:1_22:6ME426874----
PE 18:1_22:6@16.665PE 18:1_22:6ME426873----
PE 18:2_18:2@15.987PE 18:2/18:2ME426875----
PE 18:2_20:4@15.803PE 18:2_20:4ME426876----
PE 36:2@17.948PE 36:2ME426877----
PE 38:5@16.719PE 38:5ME426878----
PE 38:5@17.149PE 38:5ME426879----
PE 40:5@16.713PE 40:5ME426880----
PI 16:0_18:1@15.961PI 16:0_18:1ME426881----
PI 16:0_20:4@14.781PI 16:0_20:4ME426882----
PI 16:0_22:6@14.43PI 16:0_22:6ME426883----
PI 18:0_18:1@17.183PI 18:0_18:1ME426884----
PI 18:0_20:3@16.652PI 18:0_20:3ME426885----
PI 18:0_20:4@16.15PI 18:0_20:4ME426886----
PI 18:0_22:6@15.823PI 18:0_22:6ME426887----
PI 22:1_18:2@16.07PI 18:2_22:1ME426888----
PI 34:2@14.945PI 34:2ME426889----
PI 36:2@16.3PI 36:2ME426890----
PI 40:5@16.198PI 40:5ME426891----
SM d26:1_16:0@21.916SM 26:1;O2/16:0ME426892----
SM d32:1@14.592SM 32:1;O2ME426893----
SM d33:1@15.468SM 33:1;O2ME426894----
SM d34:0@16.729SM 34:0;O2ME426895----
SM d34:1@16.243SM 34:1;O2ME426896----
SM d34:1@16.88SM 34:1;O2ME426897----
SM d34:2@14.886SM 34:2;O2ME426898----
SM d36:1@17.795SM 36:1;O2ME426899----
SM d36:2@16.546SM 36:2;O2ME426900----
SM d40:1@20.556SM 40:1;O2ME426901----
SM d40:2@19.463SM 40:2;O2ME426902----
SM d41:1@21.248SM 41:1;O2ME426904----
SM d41:1@21.348SM 41:1;O2ME426903----
SM d41:1@21.468SM 41:1;O2ME426905----
SM d42:2@20.423SM 42:2;O2ME426906----
SM d42:3@19.426SM 42:3;O2ME426908----
SM d42:3@19.427SM 42:3;O2ME426907----


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