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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
NadololNadololME150246----
DipivefrinDipivefrinME150247----
MepyramineMepyramineME150248----
ProcyclidineProcyclidineME150249----
BepridilBepridilME150250----
Diisobutyl phthalateDiisobutyl phthalateME150251----
Phthalic acidPhthalic acidME1502521017C01606--
4-Hydroxypropofol4-HydroxypropofolME150253----
PropofolPropofolME150254----
5'-(3'-Methoxy-4'-hydroxyphenyl)-gamma-valerolacto...5'-(3'-Methoxy-4'-hydroxyphenyl)-gamma-valerolactoneME150255----
Homovanillic acidHomovanillic acidME1502561738C05582--
Edrophonium-ME150257----
TrimethoprimTrimethoprimME150258----
Cyclopentolate-ME150259----
Ethacrynic acidEthacrynic acidME150260----
ClidiniumClidiniumME150261----
5-Hydroxymethyl tolterodine-ME150262----
CinnarizineCinnarizineME150263----
FlunarizineFlunarizineME150264----
Dimenhydrinate-ME150265----
TerfenadineTerfenadineME150266----
FluspirileneFluspirileneME150267----
Haloperidol 1,2,3,6-tetrahydropyridine-ME150268----
O-Desmethylverapamil (D-702)-ME150269----
VerapamilVerapamilME1502702520C07188--
GlisoxepideGlisoxepideME150271----
N-desmethylimatinib-ME150272----
AlvimopanAlvimopanME150273----
PivmecillinamPivmecillinamME150274----
1-Methylhistidine1-MethylhistidineME1502757020397---
AnserineAnserineME150276112072C01262--
L-HistidineHistidineME1502776274C00135--
L-LysineLysineME1502785962C00047--
Proline betaineProline betaineME150279115244C10172--
RanolazineCAR 8:0ME150280----
L-OctanoylcarnitineCAR 8:0ME15028111953814C02838--
9-DecenoylcarnitineCAR 10:1(9)ME15028253481651---
ButyrylcarnitineCAR 4:0ME150283439829C02862--
2-MethylbutyroylcarnitineCAR 4:0;2MeME1502846426901---
Methyl 4,8-decadienoate-ME150285----
L-HexanoylcarnitineCAR 6:0ME1502863246938---
DecanoylcarnitineCAR 10:0ME15028710245190---
3-Hydroxy-cis-5-tetradecenoylcarnitineCAR 14:1;OHME15028853481679---
2-Propyl-2,4-pentadienoic acidCaprylic acidME150289----
Azelaic acidAzelaic acidME15029019347555C08261--
Caprylic0Octanoic acidCaprylic acidME150291379C06423--
2,3-Methyleneglutaric acid-ME150292----
2-Octenedioic acid2-Octenedioic acidME1502936079438---
Traumatic acidTraumatic acidME1502945283028C16308--
3-Hydroxytetradecanedioic acid3-Hydroxy-tetradecanedioic acidME15029520848956---
Docosahexaenoic acidDocosahexaenoic acidME150296445580C06429--
Prostaglandin E2PGE2ME1502975280360C00584--
15-Deoxy-d-12,14-PGJ215-Deoxy-delta-12,14-PGJ2ME1502985311211C14717--
15(S)-HETE15S-HETEME1502995280724C04742--
Leukotriene B4LTB4ME1503005280492C02165--
Prostaglandin F2aPGF2alphaME1503015283078---
Delta-12-Prostaglandin J2delta-12-PGJ2ME1503025280885C05958--
2,3-Dinor-6-keto-prostaglandin F1 a2,3-Dinor-6-keto-prostaglandin F1 alphaME15030353477747---
2,3-Dinor-TXB22,3-Dinor-TXB2ME1503045283138---
5a-Tetrahydrocortisol5alpha-TetrahydrocortisolME15030592748---
Tetrahydrocortisone0UrocortisoneTetrahydrocortisoneME15030612444617---
AldosteroneAldosteroneME15030724758425---
16α-hydroxyprednisolone-ME150308----
6beta-hydroxybudesonide-ME150309----
(3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihy...-ME15031053477752---
Cortolone-3-glucuronideCortolone-3-glucuronideME15031153480447---
Androsterone glucuronideAndrosterone 3-glucuronideME150312114833C11135--
Deoxycholic acid 3-glucuronideDeoxycholic acid 3-glucuronideME15031353477755---
17-Hydroxyprogesterone17alpha-HydroxyprogesteroneME1503146238C01176--
16-a-Hydroxypregnenolone16alpha-HydroxypregnenoloneME1503156452574---
15beta-hydroxycyproterone acetate-ME150316----
FluocinonideFluocinonideME150317----
DifluprednateDifluprednateME150318----
AndrostenedioneAndrostenedioneME1503196128C00280--
DehydroepiandrosteroneDehydroepiandrosteroneME1503209860744---
MestranolMestranolME150321----
Levonorgestrel-ME150322----
17a-Ethynylestradiol17alpha-Ethinyl estradiolME1503235991C07534--
NorethindroneNorethindroneME150324----
2-Hydroxyestradiol-3-methyl ether2-Hydroxyestradiol-3-methyl etherME15032513267935---
EstramustineEstramustineME150326----
MifepristoneMifepristoneME150327----
AcetyldigitoxinAcetyldigitoxinME150328----
2,6-Di-tert-butylbenzoquinone2,6-Di-tert-butylbenzoquinoneME150329----
Perillic acidPerillic acidME1503301256C11924--
ThymolThymolME1503316989C09908--
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanoneME150332----
ArtemetherArtemetherME150333----
7C-aglycone7C-AglyconeME15033420348793---
Acitretin-ME150335----
Retinoyl b-glucuronideRetinoyl beta-glucuronideME150336----
Vitamin D2 3-glucuronideVitamin D2 3-glucuronideME1503376443809---
TerazosinTerazosinME150338----
Buspirone N-oxide-ME150339----
AntrafenineAntrafenineME150340----
AzlocillinAzlocillinME150341----
NizatidineNizatidineME150342----
CandesartanCandesartanME150343----
SR 494980MC-207,110-ME150344----
CreatinineCreatinineME150345588C00791--
ImiquimodImiquimodME150346----
Chloroquine-ME150347----
Dibucaine0cinchocaine-ME150348----
D-UrobilinogenD-UrobilinogenME150349440784C05791--
2-pentylfuran2-PentylfuranME150350----
Linalyl oxide-ME150351----
ThiabendazoleThiabendazoleME150352----
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME15035369698C05842--
MeperidineMeperidineME150354----
LevocabastineLevocabastineME150355----
HydralazineHydralazineME150356----
AlosetronAlosetronME150357----
ErlotinibErlotinibME150358----
CarvedilolCarvedilolME150359----
TrimipramineTrimipramineME150360----
2-Hydroxy-imipramine glucuronide-ME150361----
NabiloneNabiloneME150362----
CarphenazineCarphenazineME150363----
(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]...-ME150364----
cis-4-Hydroxycyclohexylacetic acidcis-4-Hydroxycyclohexylacetic acidME15036512702257---
1,3-Diacetylpropane-ME150366----
2-Methyl-4-heptanone-ME150367----
12-Hydroxynevirapine glucuronide-ME150368----
NNAL-N-glucuronide-ME150369----
D-GlucoseGlucoseME1503705793C00031--
NetilmicinNetilmicinME150371----
Gentamicin-ME150372----
L-TyrosineTyrosineME1503736057C00082--
TirofibanTirofibanME150374----
UmbelliferoneUmbelliferoneME150375----
AcenocoumarolAcenocoumarolME150376----
Ellagic acidEllagic acidME1503775281855C10788--
IxabepiloneIxabepiloneME150378----
Dityrosine-ME15037953477799---
PimelylcarnitineCAR DC7:0ME15038053481675---
DesmosineDesmosineME15038153477704---
SuccinylacetoneSuccinylacetoneME1503825312---
2-OctenoylcarnitineCAR 8:1(2)ME15038353481667---
2-Hydroxycaproic acid2-Hydroxyhexanoic acidME15038499824---
4-Hydroxynonenal4-HydroxynonenalME1503855283344---
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol gluc...-ME150386----
Palmitoyl glucuronidePalmitoyl glucuronideME150387161223---
MegestrolMegestrolME150388----
PC(o-18:2(9Z,12Z)024:0)-ME15038953481741---
Linoleic acidLinoleic acidME1503905280450C01595--
10-Hydroxy-octadec-12Z-enoate-9-beta-D-glucuronide-ME150391----
Deoxydihydro-artemisinin-ME150392----
Deoxyartemsinin-ME150393----
AlizaprideAlizaprideME150394----
1-Methyl-4-nitroimidazole-ME150395----
12-Hydroxynevirapine12-HydroxynevirapineME150396----
NevirapineNevirapineME150397----
DipyridamoleDipyridamoleME150398----
Dihydroisomorphine-3-glucuronide-ME150399----
CaffeineCaffeineME1504002519C07481--
QuinineQuinineME150401----
CabergolineCabergolineME150402----
1-Methyladenosine1-MethyladenosineME150403----
Tafluprost free acid-ME150404----
Piperitone-ME150405----
2,2,4-Trimethyl-1,3-pentadienol diisobutyrate-ME150406----
4-ene-Valproic acid4-ene-Valproic acidME150407----
Phosphoramide mustardPhosphoramide mustardME150408----
3-Dechloroethylifosfamide-ME150409----
b-Dihydrotetrabenazine-ME150410----
8-Hydroxycarvedilol8-HydroxycarvedilolME150411----
CD 1790-ME150412----
AFN911-ME150413----
MethylergonovineMethylergonovineME150414----
PC(14:00P-18:1(11Z))-ME15041553478619---


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