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Analysis: GC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1-(2-(3-CYCLOHEXENYL)ETHYL)SILATRANE-ME251258337486-27.75474174.112854
12-HETE12-HETEME2511055283155C1477723.277362203.143112
1,3-Dimethyl-7,7-diphenyl-6-oxa-4-thia-2-azabicycl...-ME251150--9.5398407113.096107
1,3-DIMETHYLCYCLOHEXANE-ME25118811564-15.6671869.069946
1,3-Dipentyl-heptabarbital-ME251277632353-49.900957361.156006
13-HpOTrE(r)13-HpOTrEME25115873242172-11.25983795.036621
1,3-Methanopentalene, octahydro--ME251235556393-23.76842381.069931
1,4-DIMETHYLCYCLOHEXANE1,4-DimethylcyclohexaneME25119911523-18.005169.069923
1,5-Anhydrohexitol-ME251213219984-19.23780273.046822
15-HETE15S-HETEME2510575280724C0474249.752758143.085678
1,8-cis-Undecadien-5-yne 3,7-bis-trimethylsilyl et...-ME25126691696575-31.522442227.18248
(19R)-9-acetyl-19-hydroxy-10,14-dimethyl-20-oxopen...-ME2510977973C1177730.494165219.10199
1-DecylamineDecylamineME2512168916-20.16519771.085548
1-ETHOXY-3-TRIMETHYLSILYL-2-PROPANONE-ME251146101624309-8.893155115.057442
1-Heptene, 6-methyl--ME25114221122-8.659633843.054153
1-Naphthylamine1-NaphthylamineME2511068640C1479018.940931117.036736
1-NONENE1-NoneneME25121931285-20.58734171.085548
1-Octadecylamine-ME25119015793-15.86745485.101212
1-Piperidinecarboxaldehyde, 2-(1-formyl-2-pyrrolid...-ME251222574479-20.81796299.067909
20-HDoHE20-HDoHEME25120416061143-18.267155133.06488
2,2,4-Trimethyl-3-hexene-ME2511525365974-9.9619812207.068726
2,2,4-TRIMETHYLPENTANEIsooctaneME25121510907-20.07089371.085548
2,2,5-TRIMETHYLHEXANE-ME25119719041-17.74462999.116852
2,2-Dimethyl-3-heptene trans-ME2511855352650-15.53512969.069923
2,3,4-TRIMETHYLPENTANE2,3,4-Trimethyl-pentaneME25123211269-23.40492399.116905
2,3-Dimethyl-5,6-dihydro-1,4-oxathiine-ME251257548058-27.676116130.044418
2,3-DIMETHYLBUTANE-ME2512536589-26.380541281.051178
2,4-DIMETHYL-1-HEPTENE-ME251234123385-23.61417669.069923
2,4-DIMETHYLPENTANE-ME2512057907-18.38681957.069916
2,6-Bis(tert-butyl)phenol-ME25118631405-15.562073263.182648
2-[6-(diethylamino)purin-9-yl]-5-(hydroxymethyl)ox...-ME2511913300105-16.374918218.166595
2-BUTOXY-N-(2-(DIETHYLAMINO)ETHYL)-3-PYRIDINECARBO...-ME251247101618146-25.257826294.315369
2H,8H-Benzo[1,2-b:3,4-b']dipyran-6-propanol, 5-met...-ME251242632131-24.090205357.169983
2-Phenylaminoadenosine2-PhenylaminoadenosineME2511416917803-8.6147242227.038605
3,3-Dimethylhexane3,3-DimethylhexaneME25116411233-12.16249743.054153
3,4-Methylenedioxymandelic acid3,4-Methylenedioxymandelic acidME251193119618-16.859931223.114807
3-ETHOXY-1-PHENYL-1,5-HEXADIENE-ME2512085373742-18.550309176.11972
3-Ethyl-3-methylheptane-ME251210140213-18.70118243.054153
3-ETHYLPENTANE3-EthylpentaneME25118712048-15.6024985.101212
3-Nonanol3-NonanolME25114712216-9.054827373.046783
3-Phenoxybenzoic acid3-Phenoxybenzoic acidME25115419539-10.255474169.104401
4-Aminomethylcyclohexane carboxylic acid-ME25115934001-11.358637174.112854
4-Coumaroylcholine-ME251274156745-38.829188263.131622
4-Methoxy-2-allylphenol4-Methoxy-2-allylphenolME251207346056-18.550051176.119553
4-Methoxy-3-indolylmethyl glucosinolate-ME251087656563C0842319.069432203.143112
4-METHYL-1-PENTENE-ME25116812724-12.58463843.054153
4-Octene, 2,3,6,7-tetramethyl--ME2511485365962-9.353036969.069946
4-Octene, 2,3,6-trimethyl--ME251165549902-12.35265569.069893
4-Octene, 2,3,7-trimethyl-, [S-(E)]--ME25116612567285-12.46787769.069923
4-Piperidinecarboxamide4-Piperidine carboxamideME2511893772-15.702831112.075714
4-tert-Octylphenol-ME2511018814C1420516.832984207.119843
5-Aminovaleric acid5-Aminopentanoic acidME251018138C004319.2793711116.070679
5-methoxypodophyllotoxin-ME2512753035544-40.073152252.003082
5-Nonanol-ME25113912202-8.156654475.0261
5-Phosphorylribose 1-pyrophosphatePhosphoribosyl pyrophosphateME251000126970134C0011928.051137152.062088
5-TERT-BUTYL-3,3-DIMETHYL-1-INDANONE-ME251198608582-17.879356201.12735
6-Methyl-2-(4-methylphenyl)-7-(3,4-dimethylphenylm...-ME251264630925-29.025653339.198334
7-Methylguanosine7-MethylguanosineME2511206474236C2067430.89117373.028488
9,10-anthracenedione, 1-amino-4-[(4-methylphenyl)a...-ME251192122751-16.408564328.121399
Acid orange 7 (free acid)-ME2511956799211-17.56720777.021767
AdenylosuccinateAdenylsuccinic acidME251054447145C0379432.762042165.531418
AdiphenineAdiphenineME2511842031-15.422857167.179367
AjmalineAjmalineME2512806100671-53.812225165.011154
AlanineAlanineME2509925950C0004113.195396188.12854
Alanine, N-trimethylsilyl-, trimethylsilyl esterAlanineME251153520350-10.206302116.065338
AlfentanilAlfentanilME25108551263C0800529.730715228.021866
AlfuzosinAlfuzosinME2511312092D0712414.248073334.168793
AliskirenAliskirenME2511295493444D0320851.67012242.046272
Allantoic acidAllantoic acidME251020203C0049926.80717160.044426
AllocryptopineAllocryptopineME25104898570C0213422.585641217.107437
ALPHA-METHYLSTYRENE-ME2511037407C1439546.32152119.085648
Alpha-Tocopherolalpha-TocopherolME25105014985C0247749.339436237.130768
AmisulprideAmisulprideME2511332159D0731029.016674147.080383
AMPAMPME2509896083C000209.229972284.093399
AmpicillinAmpicillinME2510626249C0657416.922804207.119843
ArginineArginineME25099528782C0006218.738666157.11557
AtazanavirAtazanavirME251134148192D074718.3542543155.088669
Benthiavalicarb-isopropyl-ME25111153297381C1841510.15958152.052628
Benzaldehyde, 2-ethyl--ME251180123406-14.996227223.114807
Benzene, 1,3,5-trimethyl-2-(1,2-propadienyl)--ME251172588776-13.168448143.085571
Benzene, 1-(5,5-dimethyl-1-cyclopenten-1-yl)-2-met...-ME251194604555-17.412307187.111694
Benzenesulfonamide, N-[2-(2,5-dimethyl-1H-indol-3-...-ME2512601260176-28.223378158.099609
Benzoic AcidBenzoic acidME25100520144841C0018011.623596179.052246
Benzoic acid, 4-(4-butylcyclohexyl)-, 2,3-dicyano-...-ME251224618325-21.29871243.211014
benzoic acid, 4-ethenyl-, 4-[[(methylsulfonyl)amin...-ME25116271323479-12.009811131.08876
Bergamottin-ME2512305471349-23.274687203.143204
BezafibrateBezafibrateME25112739042D0136613.91842385.064842
BicalutamideBicalutamideME2511562375-10.949968259.118225
BiotinBiotinME251001171548C0012013.3993227.121231
BIS(2,2,6,6-TETRAMETHYL-4-PIPERIDINYL)SEBACATE-ME251176164282-14.187875124.112137
Blasticidin SBlasticidin SME251047170012C0201018.243115110.109055
Butanal, O-methyloxime-ME2512369576980-23.77317273.052261
CapecitabineCapecitabineME25109960953C1265031.455204153.163757
CarbacholCarbacholME251125521353D0052423.7039988.075722
Cetirizine N-Oxide-ME25118245038602-15.198317126.01622
Cholic acidCholic acidME251024221493C0069530.40434887.044167
CilastatinCilastatinME2510416435415C0167511.565216130.104752
CimetidineCimetidineME2510632756C0695254.76904496.504051
CIS-4-NONENE-ME2512065364454-18.5214269.069901
Citric acidCitric acidME25100419782904C0015818.721357273.097443
CortisoneCortisoneME251026222786C0076234.904182361.167938
Cyclobutanecarboxylic acid, 1-amino--ME25121740469936-20.28417342.033684
Cyclopentane, 1,1,3,4-tetramethyl-, cis--ME2511496432537-9.355715769.069923
CystathionineCystathionineME2510224083111C0054257.795647196.991714
Cytosine arabinosideCytarabineME2510526253C0296129.858268345.227386
D-Arabino-Hexonic acid-ME251202--18.130845217.107483
Decane, 3-ethyl-3-methyl--ME251179545661-14.83455943.054153
Decanedioic acid, dibutyl ester-ME2511307986D0378223.169582185.117126
DiazinonDiazinonME2511023017C1432422.574113305.142029
DibucaineDibucaineME2510843025C0787923.449603254.193466
DiclofenacDiclofenacME2510423033C0169018.728125251.146271
DICYCLOHEXYLAMINEN,N-DicyclohexylamineME2511047582C1468614.259726138.127747
DimefuronDimefuronME25111791612C1878334.931124205.125946
DoxorubicinAdriamycinME25104031703C0166135.38629355.069916
DroperidolDroperidolME2511213168D0030836.853212164.966492
Eicosan-1-olArachidyl alcoholME25124812404-25.529095355.339325
Eicosanoic acidArachidic acidME25106110467C0642526.894058117.036598
EprosartanEprosartanME2510775281037C0746719.002069160.078796
EsculinEsculinME2510885281417C0926418.451283177.091095
EthenodeoxyadenosineEthenodeoxyadenosineME25114310945668-8.70635688.057808
Ethylamine, N,N-dinonyl-2-(2-thiophenyl)--ME2512726426104-35.272432282.224854
ETHYL BENZOATEEthyl benzoateME2511557165-10.693991105.033569
ETHYLCYCLOHEXANEEthylcyclohexaneME25118315504-15.32855169.069923
Fluvastatin-ME251064446155C0701417.261206348.123779
Folic acidFolic acidME2510216037C0050429.506176295.103119
Foramsulfuron-ME25121811419598-20.358308268.172913
Formic acidFormic acidME25099418971002C000588.3767086103.021027
FurosemideFurosemideME2510653440C0701720.843319193.049942
Galactofuranoside-ME251196--17.65213773.046852
GallamineGallamineME25114467425-8.776392586.096466
Glucomalcomiin-ME251276132993925-46.362167316.032654
GlucoseGlucoseME2509915793C0003120.19884673.046822
GlycocholateGlycocholic acidME25104410140C0192143.070368175.078583
GlycyrrhetinateGlycyrrhetinic acidME25104910114C0228317.69972189.127365
GuanosineGuanosineME2510166802C0038718.262892203.143204
Haploperoside C Acetate-ME25125420106092-26.638109153.163757
HENEICOSANOIC ACID TRIMETHYLSILYL ESTERHeneicosanoic acidME251263526088-28.591857117.03672
Heptadecanoic acidMargaric acidME25122810465-22.729476117.03672
Heptane, 4-methylene--ME251255519193-27.148477110.109055
Hexadecanoic acidPalmitic acidME251011985C0024921.43162117.03672
Hexadecenoic acidPalmitoleic acidME251086445638C0836221.235565129.036667
HistidineHistidineME2510026274C0013523.396334326.189667
HomoserineHomoserineME25101312647C0026314.598751232.118378
HydroxylamineHydroxylamineME251008787C001929.899110173.046783
IbuprofenIbuprofenME2510343672C0158817.870371251.146271
Iminostilbene-ME2512009212-18.051825206.111099
IndapamideIndapamideME2511223702D0034535.645174383.224762
InositolMyo-inositolME251227892-22.583487217.107407
IrbesartanIrbesartanME2510783749C0746933.633271233.083359
IsoleucineIsoleucineME2510176306C0040712.119145158.135941
IsomaltoseIsomaltoseME251012126963629C0025227.961322342.996613
Isorhamnetin-3-O-rutinosideIsorhamnetin-3-O-rutinosideME2512395481663-23.93035171.081146
Kinetin-9-riboside-ME25124620345-24.997358203.115479
Lactic acidLactic acidME25103019789253C014328.9425573147.065613
l-Alanine, N-ethoxycarbonyl-, undec-10-enyl ester-ME2512436422313-24.139605116.052666
Leu-Leu-TyrLeu-Leu-TyrME2512734584009-35.95504121.101196
Linoleic acidLinoleic acidME2510355280450C0159523.991405202.077682
LiquiritinLiquiritinME251110503737C1698931.16779347.088135
LisinoprilLisinoprilME25113511865407D0813155.128045333.060272
l-Leucine, N-methyl-N-(2-methoxyethoxycarbonyl)-, ...-ME25124091733217-23.979751201.127457
l-Norvaline, N-ethoxycarbonyl-, hexadecyl ester-ME25116391718827-12.083871144.083939
LysineLysineME2509935962C0004720.046156156.120331
Lyxonic acidD-Lyxonic acidME251203152955-18.19103973.046852
MalaoxonMalaoxonME25107915415C0749829.52595599.116905
Man6GlcNAc-VI-ME251265132993876-29.582523371.297394
Mesosulfuron-methyl-ME25120911409499-18.648879275.08902
MesotrioneMesotrioneME251169175967-12.899228.066177
Metergoline phenylmethyl ester-ME2511321268305D0721821.871727220.133102
MethiocarbMethiocarbME25111616248C1865116.123431179.088699
MethotrexateMethotrexateME251046126941C0193715.970743117.073051
Methyl-LyxofuranosideMethyl D-lyxofuranosideME25122112889243-20.692188217.107391
MinocyclineMinocyclineME25117054675783-12.984325231.123169
N4-AcetylsulfadimethoxineN4-AcetylsulfadimethoxineME251281473359-59.933258240.980484
N4-Acetylsulfamethazine-ME25126866855-33.089873125.987686
N4-Anisoyl-2'-deoxycytidine-ME251245191072-24.611142295.172211
Na-Benzenolarginine ethylester-ME251167417068-12.487657215.103195
N-Acetylethylenediamine-ME25126166082-28.26669673.052231
NAD+NAD+ME25125210897651-26.129052329.03244
NafcillinNafcillinME2510708982C0725011.030803229.107574
N-AllyladenosineN-AllyladenosineME25123397078-23.47945176.120209
NaproxenNaproxenME251033156391C0151722.520617243.119995
Ne-Acetyllysine-ME2510516991978C0272714.098057157.104431
Neohesperidin dihydrochalconeNeohesperidin dihydrochalconeME25116030231-11.681977145.101196
Nicosulfuron-ME25109151380907C1094913.141502213.105347
N-METHYL-2-PYRROLIDONEN-Methylpyrrolidin-2-oneME25109513387C1111823.501999.067879
N,N'-DIMETHYL-2,2'-BIPYRROLIDINE-ME25123114382599-23.400204311.276642
Nonadecanoic acidNonadecylic acidME25110712591C1653525.407586117.036598
Nonanoic acidPelargonic acidME2510368158C0160112.943908215.146118
NorleucineNorleucineME251045517543C0193311.782336158.135941
Norlidocaine-ME25110824415C1656125.010829128.089035
NovobiocinNovobiocinME25105854675769C0508019.689167197.072937
OCTADECANOIC ACID TRIMETHYLSILYL ESTERStearic acidME25124187777-24.056094117.03672
Octadecenoic acid_R1Octadecenoic acidME2512375282750-23.786377129.036743
Octadecenoic acid_R2Octadecenoic acidME2512385282750-23.793686129.036667
Octaethylene glycolOctaethylene glycolME25127178798-34.944599117.073051
OCTANEOctaneME251029356C013879.759893343.054153
Olopatadine-ME25108325271818C0778912.554752189.076263
Ornithine-1,5-lactam3-Amino-2-piperidoneME2511775200225-14.428098128.089081
Orotidine 5'-monophosphateOrotidylic acidME251028160617C0110328.68884131.076111
OxazepamOxazepamME2510724616C0735929.950768113.132484
PenicillaminePenicillamineME2510765852C0741813.806152228.066177
PerindoprilPerindoprilME251082107807C0770615.27016898.096481
PhenylalaninePhenylalanineME2509986140C0007916.59048218.102646
PhloridzinPhlorizinME2510376072C0160438.857948178.982315
Phosphatidylcholine 14:0-16:0PC 14:0_16:0ME251269129657-33.983556156.005753
Phosphatidylcholine 15:0-16:0PC 15:0_16:0ME25127924778655-50.152446190.171616
Phosphatidylcholine 16:0-22:5PC 16:0_22:5ME25122924778737-23.211815171.083588
Phosphatidylcholine 18:0-20:0 / 16:0-22:0-ME251251--25.90900197.002632
Phosphatidylcholine 19:0-18:1PC 18:1_19:0ME251244--24.379172116.052719
Phosphatidylcholine lyso 16:0LPC 16:0ME2512599827122-27.882302197.22641
Phosphatidylcholine lyso 17:1LPC 17:1ME251181132993695-15.178072267.086792
Phosphatidylcholine lyso 18:1LPC 18:1ME251157132993376-11.053258144.120377
Phosphatidylcholine lyso 18:2LPC 18:2ME251171132993378-13.143322279.126373
Phosphatidylcholine lyso 20:3LPC 20:3ME251174132993386-13.401975233.138809
Phosphatidylethanolamine 18:1-18:1PC 18:1/18:1ME251140--8.2659866281.051208
Phosphatidylethanolamine alkenyl 18:0-22:1-ME251270132993589-34.398262337.321625
Phosphatidylethanolamine lyso 20:1LPE 20:1ME251250132993469-25.722201309.151947
Phosphonic acid-ME2511613084169-11.825685299.071472
PhosphoramidonPhosphoramidonME251023445114C0056337.710963378.050079
Phthalic acidPhthalic acidME2510381017C0160617.360628147.065613
PioglitazonePioglitazoneME2510814829C0767537.08673781.988564
Pipecolic acid, N-hexyloxycarbonyl-, heptadecyl es...-ME251262--28.29546212.237289
PiperacillinPiperacillinME25110043672C1403410.500882187.15126
PirimicarbPirimicarbME25109431645C1107911.63416577.022964
PrazosinPrazosinME2510734893C0736848.126804344.06781
PrednisolonePrednisoloneME2510745755C0736922.486971265.125488
ProcaineProcaineME2510754914C0737521.310366155.179398
ProlineProlineME251003145742C0014815.98642473.046822
PrometrynPrometrynME2511134929C1854211.066729200.121368
ProtopineProtopineME2510594970C0518917.174289117.03672
PuerarinPuerarinME2510895281807C1052413.363145326.965973
Pyridate-ME25111841463C1880313.613045207.119843
Pyridine, 2-hydroxy-ME251145--8.8437593152.052628
Pyroglutamic acidPyroglutamic acidME2510437405C0187915.292622156.083923
RanitidineRanitidineME2511233001055D0042223.838717112.075706
RepaglinideRepaglinideME25108065981C0767020.86759293.193298
RimsulfuronRimsulfuronME25109291779C1095250.866493247.242218
RisperidoneRisperidoneME2511245073D0042640.297695110.104645
Ritalinic acidRitalinic acidME25117359877519-13.277788156.12027
RitonavirRitonavirME251069392622C072409.6296576140.031815
RuboneRuboneME2512675951499-32.524026175.078445
rubusoside-ME25125690659180-27.588578105.999138
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME25099025246222C0002111.955919170.099533
S-AdenosylmethionineS-AdenosylmethionineME25098856593143C0001916.747658250.139145
SalicinSalicinME251031439503C0145110.57273487.044167
SerineSerineME2509965951C0006512.959196204.123535
SinapineSinapineME2510275280385C0093316.071128251.146271
Sisomicin-ME25101936119C0049421.296892243.210754
Sissotrine-ME2512785358913-49.950356163.031509
S-LactoylglutathioneS-LactoylglutathioneME251053440018C0345133.626105233.083466
SotalolSotalolME2510715253C0730918.777527142.104675
SpermineSpermineME2510251103C0075023.789319117.03672
Sphingomyelin d18:0-C18:0SM 18:0;O2/18:0ME25120115081686-18.121862209.029083
Sphingomyelin d18:0-C23:0SM 18:0;O2/23:0ME25124976043687-25.531767355.33905
SucraloseSucraloseME25109871485C1228521.988485359.206879
Sulfentrazon-ME25109686369C1112560.696969149.014709
Sulfurous acid, 2-ethylhexyl hexyl ester-ME2512256420784-21.692088265.125488
SulpirideSulpirideME2511265355D0122625.334175130.104752
TaurineTaurineME2510101123C0024517.158538326.109253
TebufenozideTebufenozideME25111291773C1852659.32702987.044136
Tembotrione-ME25117511556911-13.662445403.034027
TerbutalineTerbutalineME2510665403C0712928.742726355.069794
TerbutylazineTerbutylazineME25111922206C1881011.273308198.167267
TERT-PENTYLBENZENE-ME25122316295-21.27625871.049248
Tetradecanoic acidMyristic acidME25106011005C0642418.948179117.03672
Thermopsoside, crotonoyl-ME25121424208689-19.311938128.089035
Thiacloprid-amide-ME25121116212161-19.159247128.052628
ThiamineThiamineME25113623423984D0858030.768105117.073051
Thiamine monophosphateThiamine monophosphateME25113710761D0858132.712645139.148132
Thifensulfuron-methyl-ME25109373674C1095722.177103175.078445
Thioinosinic acidThioinosinic acidME2510563034391C0464625.370096375.201691
ThreitolThreitolME251109169019C1688414.865995217.107483
ThreonineThreonineME2510076288C0018813.357066218.139038
ThymidineThymidineME2510095789C0021414.681869124.112137
TiaprideTiaprideME2511385467D0859010.994876159.083755
TimololTimololME25106733624C0714135.130266268.209167
trans-Zeatintrans-ZeatinME251015449093C0037120.32687218.102646
TRHThyrotropin releasing hormoneME251055129360500C0395839.455234175.078583
Trifloxystrobin-ME25111411664966C1856227.837392186.131012
TriflumuronTriflumuronME25111547445C1861514.160926156.026703
TrifolirhizinTrifolirhizinME251090442827C1053838.95648268.209351
Trimethylsilyl 2,2-dimethyl-3,6,9,12,15,18,21,24-o...-ME25122691709831-22.448765117.073059
Trinexapac-ME25121214371531-19.174539251.146408
Tritosulfuron-ME25122011657899-20.636738190.171631
TryptophanTryptophanME2509976305C0007824.328219202.104477
TylosinTylosinME2510325280440C0145720.18947112.124756
UNDECANEUndecaneME25115114257-9.602711443.054153
UreaUreaME2509991176C0008611.22097189.087418
Uric acidUric acidME2510141175C0036622.403852441.162506
ValineValineME2510066287C0018311.073431144.120316
VerapamilVerapamilME2510682520C0718828.811908116.052734
Z-Gly-Pro-ME251039439540C0163212.09962777.038597
Zopiclone(5R)-ZopicloneME2511285735D0137212.678946214.100586
ZopicloneA^-ME251178--14.602848233.102478


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