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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
1,3,5-Cycloheptatriene (91@3.75)-ME227531--3.7591
1,3-Cyclopentadiene, 5-(1-methylethylidene)- (43@6...-ME227564--6.4643
1,3-Dioxolane, 2-ethyl-4-methyl- (87@4.18)-ME227536--4.1887
1,3-Dioxolane-2-methanol (73@19.66)-ME227627--19.6673
1,3-Hexadien-5-yne (78@2.22)-ME227521--2.2278
1,4-Dichlorobenzene-D4(150@11.67)-ME227641--11.67150
1-Hexanol, 2-ethyl- (57@11.75)Xi-2-Ethyl-1-hexanolME227591--11.7557
1-Methoxy-5-trifluoroacetoxyhexane (45@1.85)-ME227517--1.8545
1-Nonen-4-ol (43@3)-ME227527--343
1-Propanol, 2,2-dimethyl- (57@13.09)-ME227604--13.0957
1-Propanol, 2,2-dimethyl- (57@14.81)-ME227615--14.8157
2,3-Epoxyhexanol (73@17.42)-ME227624--17.4273
2,4,6-Trimethyl-1-nonene (43@10.8)-ME227585--10.843
2,4,6-Trimethyl-1-nonene (43@6.05)-ME227557--6.0543
2,5-Octadiyne, 4,4-diethyl- (41@16.02)-ME227618--16.0241
2-Butanone, 3-methyl- (43@2.48)-ME227524--2.4843
2-Hexanol, 3,4-dimethyl- (43@12.17)-ME227594--12.1743
2-Hexanol, 3,4-dimethyl- (43@4.92)-ME227546--4.9243
2-Pentanone, 4-hydroxy-4-methyl- (43@7.72)-ME227575--7.7243
2-Propanamine, 2-methyl- (58@1.48)-ME227504--1.4858
2-Propanol, 1,3-dichloro- (79@1.61)-ME227512--1.6179
2-Propanol, 2-methyl- (59@1.63)-ME227513--1.6359
3,4-Hexanedione, 2,2,5-trimethyl- (43@21.12)-ME227632--21.1243
3,4-Hexanedione, 2,2,5-trimethyl- (43@26.54)-ME227636--26.5443
3,6-Dimethoxy-1,6-dimethyl-1,4-cyclohexadiene (153...-ME227530--3.57153
3-carene(41@10.91)-ME227586--10.9141
3-Cyclohexylpropionamide (55@1.75)-ME227514--1.7555
3-Ethyl-3-methylheptane (43@14.01)-ME227610--14.0143
3-Hexen-2-one (83@4.49)-ME227540--4.4983
3-Hexene-2,5-diol (44@4.52)-ME227541--4.5244
4,4'-Diisothiocyanatostilbene-2,2'-disulfonic acid...-ME227510--1.5976
4-Ethylbenzamide (133@4.34)-ME227538--4.34133
4-Heptyn-2-ol (45@1.58)-ME227509--1.5845
4-Pyridazinamine (39@5.39)-ME227550--5.3939
5-Hexen-1-ol (41@2.46)-ME227523--2.4641
5-Methyl-1,5-hexadien-3-ol (57@11.06)-ME227587--11.0657
Acetic acid, 2-phenylethyl ester (43@7.11)-ME227569--7.1143
Acetic acid, 2-phenylethyl ester (91@7.11)-ME227568--7.1191
Acetic acid (45@4.1)Acetic acidME227535--4.145
Acetic acid (45@4.24)Acetic acidME227537--4.2445
Acetic acid (46@3.85)Acetic acidME227532--3.8546
Acetic acid, methyl ester (43@1.54)-ME227508--1.5443
Acetone (43@1.47)AcetoneME227503--1.4743
Acetophenone (105@10.48)AcetophenoneME227583--10.48105
Acetophenone (105@12.9)AcetophenoneME227602--12.9105
Acetophenone (77@9.42)AcetophenoneME227578--9.4277
Argon (40@6.4)-ME227562--6.440
Benzene, 1,2-bis(hexyloxy)-4-nitro- (43@1.78)-ME227515--1.7843
Benzene, 1,4-dichloro- (146@11.17)-ME227588--11.17146
Benzene, 1-bromo-3-fluoro-(95@8.24)-ME227643--8.2495
Benzene, fluoro-(96@2.35)-ME227642--2.3596
Borane-methyl sulfide complex (47@1.54)-ME227507--1.5447
Butane, 2,2-dimethyl- (41@15.87)-ME227617--15.8741
Butane, 2,2-dimethyl- (41@16.35)-ME227621--16.3541
Butane, 2,2-dimethyl- (43@9.55)-ME227579--9.5543
Butane (43@3.26)ButaneME227528--3.2643
Butanoic acid (43@5.79)Butyric acidME227556--5.7943
Carbamic acid, methyl-, phenyl ester (94@10.1)-ME227581--10.194
Cyclobutane-1,1-dicarboxamide, N,N'-di-benzoyloxy-...-ME227620--16.15105
Cyclobutanol (44@1.33)-ME227498--1.3344
Cyclohexanone (43@7.34)CyclohexanoneME227571--7.3443
Cyclohexanone (55@7.26)CyclohexanoneME227570--7.2655
Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- (...-ME227590--11.6968
Decane, 2,5,9-trimethyl- (57@11.96)-ME227593--11.9657
Decane, 2,5,9-trimethyl- (57@38.35)-ME227638--38.3557
Decane, 3,7-dimethyl(57@11.83)-ME227592--11.8357
Difluorophosphoric acid (43@1.9)-ME227518--1.943
Di(n-hexyl)sulfone (42@1.99)-ME227520--1.9942
DL-3-Methyl-2-butanol, pentafluoropropionate (43@1...-ME227616--15.6143
Ethanol, 2-nitro-, propionate (ester) (44@4.88)-ME227545--4.8844
Ethanol, 2-nitro-, propionate (ester) (45@5.26)-ME227549--5.2645
Ethanol, 2-nitro-, propionate (ester) (45@6.06)-ME227558--6.0645
Ethylbenzene (91@6.16)EthylbenzeneME227559--6.1691
Ethylene oxide (44@3.87)-ME227533--3.8744
Formamide (45@1.41)FormamideME227501--1.4145
Formamide, N,N-dimethyl- (44@36.18)-ME227637--36.1844
Formic acid, 3-methylbut-2-yl ester (45@5.55)-ME227552--5.5545
Glutaraldehyde (44@1.79)GlutaralME227516--1.7944
Heptanal (41@7.53)EnanthaldehydeME227573--7.5341
Heptane, 2,2,4,6,6-pentamethyl- (57@11.51)-ME227589--11.5157
Heptane, 2,3-dimethyl- (43@4.88)-ME227544--4.8843
Hexanal, 3-methyl- (41@7.51)-ME227572--7.5141
Hexanal (44@4.58)CaproaldehydeME227542--4.5844
Hexane, 2,2,3-trimethyl- (57@12.53)-ME227597--12.5357
Hexane, 2,2,3-trimethyl- (57@12.88)-ME227601--12.8857
Hexane, 2,3,4-trimethyl- (43@12.6)-ME227598--12.643
Hexane, 2,3,4-trimethyl- (43@19.49)-ME227626--19.4943
Hexane, 2,3,4-trimethyl- (43@20.85)-ME227631--20.8543
Hexane, 2,3,4-trimethyl- (43@5.06)-ME227547--5.0643
Hexane, 2,3,4-trimethyl- (43@5.07)-ME227548--5.0743
Hexane, 2,3,4-trimethyl- (43@6.27)-ME227560--6.2743
Hexane, 2,3,4-trimethyl- (43@6.28)-ME227561--6.2843
Hexane, 2,3-dimethyl- (44@10.68)-ME227584--10.6844
Hydroxylamine, O-(2-methylpropyl)- (41@2.62)-ME227525--2.6241
Isoprene(67@1.5)IsopreneME227505--1.567
Isopropyl Alcohol (45@1.46)IsopropanolME227502--1.4645
L-Cysteine sulfinic acid (64@3.38)3-Sulfino-alanineME227529--3.3864
Methane, dichloronitro- (83@1.95)-ME227519--1.9583
Methanesulfonyl chloride (79@1.61)-ME227511--1.6179
Methyl methacrylate (41@2.77)Methyl methacrylateME227526--2.7741
Naphthalene (128@16.68)NaphthaleneME227622--16.68128
N-Methyltaurine (44@4.03)N-MethyltaurineME227534--4.0344
Nonadecane (57@39.61)NonadecaneME227640--39.6157
Nonanal(41@14.25)PelargonaldehydeME227612--14.2541
Nonane, 1-iodo- (43@25.37)-ME227635--25.3743
O-Butylisourea (41@2.26)-ME227522--2.2641
Octane, 2,3,6,7-tetramethyl- (43@12.34)-ME227595--12.3443
Octane, 2,3,6,7-tetramethyl- (43@13.82)-ME227609--13.8243
Octane, 3,5-dimethyl- (43@14.08)-ME227611--14.0843
Octane, 3,5-dimethyl- (43@17.27)-ME227623--17.2743
Oxalic acid, allyl nonyl ester (43@12.78)-ME227600--12.7843
Pentane, 2,2,3,4-tetramethyl- (43@13.61)-ME227607--13.6143
Pentane, 2,2,3,4-tetramethyl- (43@13.65)-ME227608--13.6543
Pentane, 2,2,3,4-tetramethyl- (43@14.57)-ME227614--14.5743
Pentane, 2,2,3,4-tetramethyl- (43@20.67)-ME227629--20.6743
Pentane, 2,2,3,4-tetramethyl- (43@23.07)-ME227634--23.0743
Pentane, 2,2,3,4-tetramethyl- (57@12.47)-ME227596--12.4757
Pentane, 2,2,3,4-tetramethyl- (57@13.34)-ME227605--13.3457
Pentane, 2,2,3,4-tetramethyl- (57@13.44)-ME227606--13.4457
Pentane, 2,2,3,4-tetramethyl- (57@20.69)-ME227630--20.6957
Pentane, 2,2,3,4-tetramethyl- (57@9.82)-ME227580--9.8257
Pentane, 2,2,3-trimethyl- (57@9.39)-ME227577--9.3957
Pentane, 3,3-dimethyl- (43@21.36)-ME227633--21.3643
Pentane, 3-methyl- (57@12.96)-ME227603--12.9657
Pentanoic acid, 4-methyl- (45@4.46)Isocaproic acidME227539--4.4645
Pentanoic acid (73@5.63)Valeric acidME227554--5.6373
?-Pinene(93@8.46)-ME227576--8.4693
Propanamide, 2-hydroxy- (45@5.4)LactamideME227551--5.445
Propane, 1-chloro-2-methyl- (77@1.37)-ME227500--1.3777
Propane, 2-bromo-1-chloro- (77@1.36)-ME227499--1.3677
Propane, 2-methoxy-2-methyl- (73@5.6)-ME227553--5.673
Propane, 2-methyl-1-nitro- (57@10.16)-ME227582--10.1657
Propanedioic acid, propyl- (45@4.74)-ME227543--4.7445
Propanedioic acid, propyl- (45@6.65)-ME227566--6.6545
Propanoic acid, 2,2-dimethyl- (57@7.71)-ME227574--7.7157
Propanoic acid, 2-hydroxy-, pentyl ester (41@16.03...-ME227619--16.0341
Propanoic acid (45@5.72)Propionic acidME227555--5.7245
p-Xylene (43@6.51)p-XyleneME227565--6.5143
p-Xylene (91@6.43)p-XyleneME227563--6.4391
(S)-(+)-1,2-Propanediol (45@6.99)-ME227567--6.9945
(S)-(+)-3-Methyl-1-pentanol (57@12.65)-ME227599--12.6557
Sulfur dioxide (64@1.53)-ME227506--1.5364
Sulfurous acid, 2-ethylhexyl isohexyl ester (57@39...-ME227639--39.4557
Toluene-D8(98@3.66)TolueneME227644--3.6698
Tridecane(43@20.26)TridecaneME227628--20.2643
Undecane, 4-methyl(43@14.52)-ME227613--14.5243
Z-2-Dodecenol (41@17.45)-ME227625--17.4541


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