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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
(R,R)-2,3-Dihydroxybutanoic acid, tris(trimethylsi...4-Deoxy-erythronic acidME24087913120901-10.958-
(R,S)-2,3-Dihydroxybutanoic acid, tris(trimethylsi...4-Deoxythreonic acidME24088010964471-11.103-
(R,S)-3,4-DIHYDROXYBUTANOIC ACID TRITMS-ME240881--12.045-
(t-Butyldimethylsilyl)[3-methyl-3-(4-methyl-pent-3...-ME240882--13.8-
.alpha.-D-Glucopyranose, 2,3,4,6-tetrakis-O-(trime...GlucoseME240883--22.082-
.alpha.-Tocopherol, TMS derivativealpha-TocopherolME24088414985C0247727.431-
.beta.-D-Galactofuranose, 1,2,3,5,6-pentakis-O-(tr...-ME240885--18.224-
.beta.-D-Galactofuranoside, ethyl 2,3,5,6-tetrakis...-ME240886--18.377-
.beta.-Gentiobiose, octakis(trimethylsilyl) ether,...beta-GentiobioseME240887--29.297-
.beta.-Tocopherol, TMS derivativebeta-tocopherolME2408886857447C1415226.383-
.gamma.-Tocopherol, TMS derivativegamma-TocopherolME24088914986-26.438-
phosphoric acidPhosphoric acidME2408901004C000099.966-
O-phosphocolaminePhosphoethanolamineME2408911015C0034616.232-
pyrophosphatePyrophosphateME240892644102C0001314.993-
heptadecanoic acidMargaric acidME24089310465-19.8-
arachidic acidArachidic acidME24089410467C0642522.367-
L-(+) lactic acidLactic acidME240895107689C001866.851-
succinic acidSuccinic acidME2408961110C0004210.509-
2-hydroxybutyric acid2-Hydroxybutyric acidME240897--7.852-
uric acid 1Uric acidME2408981175C0036619.331-
uric acid 2Uric acidME2408991175C0036619.82-
galactitolGalactitolME24090011850C0169717.986-
xanthineXanthineME2409011188C0038518.574-
tetracosaneLignoceraneME240902--22.035-
4-hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME240903127C0064214.615-
galactonic acid 2Galactonic acidME240904128869C0088018.504-
L-proline 2ProlineME240905145742C0014810.321-
N-acetyl-D-glucosamine 2N-AcetylglucosamineME240906439174C0014019.29-
D-threitolThreitolME240907169019C1688412.954-
acetohydroxamic acidAcetohydroxamic acidME2409081990C068087.72-
L-norleucine 1NorleucineME24090921236C019338.945-
1,5-anhydro-D-sorbitol1,5-AnhydrosorbitolME24091064960C0732616.967-
L-asparagine 2AsparagineME2409116267C0015214.984-
Beta- alanine 1beta-AlanineME240912239C0009912.044-
1-stearoyl-rac-glycerolMG 18:0ME240913--24.913-
D-glucose 1GlucoseME2409145793C0003117.426-
D-glucose 2GlucoseME2409155793C0003117.625-
1-hexadecanolCetyl alcoholME2409162682C0082318.045-
tagatose 1D-TagatoseME24091792092C0079517.011-
p-cresolP-CresolME2409182879C014688.211-
capric acidCapric acidME2409192969C0157112.399-
cholesterolCholesterolME2409205997C0018727.555-
citric acidCitric acidME240921311C0015816.615-
L-glutamic acid 1Glutamic acidME24092233032C0002513.338-
L-glutamic acid 2Glutamic acidME24092333032C0002514.398-
L-glutamic acid 3 (dehydrated)Glutamic acidME24092433032C0002513.232-
lauric acidLauric acidME2409253893C0267914.789-
trans-aconitic acidtrans-Aconitic acidME240926444212C0234115.842-
palmitoleic acidPalmitoleic acidME240927445638C0836218.728-
galacturonic acid 1Galacturonic acidME240928445929C0047017.907-
eicosapentaenoic acidEicosapentaenoic acidME240929446284C0642824.013-
D-allose 1AlloseME24093012285879C0148717.278-
serotonin 1SerotoninME2409315202C0078022.532-
linoleic acidLinoleic acidME2409325280450C0159520.399-
stearic acidStearic acidME2409335281C0153020.675-
1 monooleinMG 18:1(9Z)/0:0/0:0ME240934--24.747-
methyl oleateMethyl oleateME240935--19.44-
threonic acidThreonic acidME240936151152C0162013.652-
trans-4-hydroxy-L-proline 1trans-4-HydroxyprolineME2409375810C0115712.615-
CreatinineCreatinineME240938588C0079113.629-
L-alanine 1AlanineME2409395950C000417.475-
L-alanine 2AlanineME2409405950C0004111.182-
L-serine 1SerineME2409415951C000659.706-
L-serine 2SerineME2409425951C0006511.174-
aspartic acid 1Aspartic acidME2409435960C0004912.002-
aspartic acid 2Aspartic acidME2409445960C0004913.207-
L-lysine 1LysineME2409455962C0004717.01-
L-lysine 2LysineME2409465962C0004717.643-
inosineInosineME2409476021C0029423.396-
xylose 1XyloseME240948135191C0018114.7-
uridineUridineME2409496029C0029922.422-
gluconic acid 2Gluconic acidME24095010690C0025718.297-
L-tyrosine 2TyrosineME2409516057C0008217.856-
tyrosine 1TyrosineME2409526057C0008217.354-
tyrosine 2TyrosineME2409536057C0008217.871-
L-leucine 2LeucineME2409546106C001239.945-
L-methionine 1MethionineME2409556137C0007311.835-
L-methionine 2MethionineME2409566137C0007313.188-
D-mannitolMannitolME2409576251C0039217.81-
L-valine 2ValineME2409586287C001839.151-
L-threonine 1ThreonineME2409596288C0018810.224-
L-threonine 2ThreonineME2409606288C0018811.464-
L-tryptophan 2TryptophanME2409616305C0007820.466-
elaidic acidElaidic acidME240962445639C0071220.508-
methyl palmitoleate-ME240963--17.466-
quinic acidQuinic acidME240964-C0674617.076-
norvaline 2NorvalineME240965439575C017999.468-
arabinoseArabinoseME240966439195C0025914.897-
5alpha-CholestanolDihydrocholesterolME2409676665-27.436-
L-cystine 1CystineME24096867678C0049120.526-
L-cystine 2CystineME24096967678C0049120.862-
L-cystine 3CystineME24097067678C0049121.104-
guanosine 2GuanosineME2409716802C0038724.847-
xylitolXylitolME2409726912C0037915.376-
2-ketoisocaproic acid 2KetoleucineME24097370C002339.041-
ethanolamineEthanolamineME240974700C001899.879-
L-glutamine 1GlutamineME2409755961C0006413.431-
L-glutamine 2GlutamineME2409765961C0006414.083-
glycineGlycineME240977750C0003710.456-
glycerolGlycerolME240978753C001169.941-
glycerol 1-phosphatesn-Glycero-3-phosphateME240979439162C0009316.056-
glycolic acidGlycolic acidME240980757C001607.049-
hypoxanthineHypoxanthineME240981790C0026216.479-
DL-isoleucine 1IsoleucineME2409826306C004078.576-
DL-isoleucine 2IsoleucineME2409836306C0040710.225-
3-indoleacetic acidIndoleacetic acidME240984802C0095418.089-
1-octadecene1-OctadeceneME2409858217-16.36-
eicosaneEicosaneME2409868222-18.464-
ribitolRibitolME240987-C0047415.66-
dioctyl phthalateDioctyl phthalateME240988--23.163-
lactose 1LactoseME24098984571C0024324.386-
myo-inositolMyo-inositolME240990-C0013719.354-
psicose 1PsicoseME240991--17.059-
D-malic acidD-Malic acidME240992525C0071112.794-
3-indolelactic acid 2Indoleacetic acidME240993802C0095420.077-
methyl linolenate-ME240994--19.432-
oxalic acidOxalic acidME240995971C002097.883-
citrulline 2CitrullineME2409969750C0032716.691-
palmitic acidPalmitic acidME240997985C0024918.846-
riboseRiboseME2409985779C0012115.113-
Phenylalanine 1PhenylalanineME2409996140C0007913.545-
Methyl CaprateMethyl decanoateME2410008050-10.647-
Methyl LaurateMethyl dodecanoateME2410018139-13.25-
Methyl MyristateMethyl tetradecanoateME24100231284-15.597-
Methyl PalmitateFormyl hexadecanoateME2410038181C1699517.723-
Methyl StearateMethyl stearateME2410048201-19.663-
Methyl Eicosanoate-ME241005--21.441-
Methyl Docosanoate-ME241006--23.082-
Methyl Linocerate-ME241007--24.603-
Myristic Acid d27Myristic acidME24100811005C0642416.727-
1-(3-Methylbutyl)-2,3,4,6-tetramethylbenzene-ME241009--8.136-
1-(Trifluoroacetyl)-L-proline, TMS derivative-ME241010--10.967-
1,1'-Biphenyl, 4,4'-dinitro--ME241011--8.011-
1,2,5-Thiadiazolo[3,4-c]coumarine, 8-nitro--ME241012--6.699-
1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ...-ME241013--17.102-
1,2-Dipalmitin, TMS derivative-ME24101499931-34.532-
1,3-Dipalmitin, TMS derivative-ME24101599931-34.544-
10-Heptadecenoic acid, (Z)-, TMS derivative10Z-Heptadecenoic acidME2410165312435-19.578-
11-Methyldodecanol-ME241017--15.854-
13.beta.-Ethyl-3-oximinogon-4-en-17-one 3-TMS-ME241018--18.007-
13-Docosenoic acid, methyl ester, (Z)--ME241019--22.884-
17-Methoxy-d-homo-18-norandrosta-4,8,13,15,17-pent...-ME241020--15.062-
18-Methyl-nonadecane-1,2-diol, isopropylidene deri...-ME241021--31.182-
1-Chloromethyl-1-hexadecyloxy-1-silacyclohexane-ME241022--28.868-
1-Decanol, 2-hexyl-1-DecanolME2410238174C0163318.623-
1-Dodecanol, 2-hexyl--ME241024--20.1-
1-Dodecanol, TMS derivativeDodecanolME2410258193C0227713.757-
1-Ethyl-1-tridecyloxy-1-silacyclohexane-ME241026--31.643-
1-Heptanol, TMS derivativen-HeptanolME2410278129-7.132-
1-Hexadecanol, TBDMS derivativeCetyl alcoholME2410282682C0082319.814-
1H-Pyrazole, 4-nitro--ME241029--12.88-
1-Hydroxy-3-methoxy-6-methylanthraquinone, TMS der...-ME241030--23.896-
1-Monomyristin, 2TMS derivativeMG 14:0ME241031--21.94-
1-Monopalmitin, 2TMS derivativeMG 16:0/0:0/0:0ME24103214900-23.706-
1-Nonene, 4,6,8-trimethyl--ME24103331285C0845216.072-
1-Octadecanol, TMS derivativeStearyl alcoholME2410348221D0192419.9-
1'-Oxocannabinol-ME241035--33.228-
2(1H)-Pyridinone, 3-acetyl-4-hydroxy-6-methyl--ME241036--8.54-
2-(Methylamino)ethanol, tert-butyldimethylsilyl et...-ME241037--6.846-
2,3-Dihydroxypropyl icosanoate, 2TMS derivative-ME241038--26.246-
2,4-Thiazolidinedione-ME241039--8.857-
2,5-Di-tert-butyl-4-((trimethylsilyl)oxy)phenol-ME241040--15.066-
2,6-Bis(tert-butyl)phenol, TMS derivative-ME241041--13.402-
2,6-Diisopropylnaphthalene-ME241042--15.538-
2,6-Diphenyl-1,7-dihydrodipyrrolo[2,3-b:3',2'-e]py...-ME241043--34.129-
2-.alpha.-Mannobiose, octakis(trimethylsilyl) ethe...-ME241044--18.177-
2-Ethyl-3-hydroxypropionic acid, di-TMS2-Ethyl-hydracrylic acidME241045188979-9.502-
2-Hydrazino-4,6-dimethylpyrimidine, 2TBDMS derivat...-ME241046--34.014-
2-Hydroxybutyric acid, 2TMS derivative2-Hydroxybutyric acidME24104711266C059848.022-
2-Isopropyl-5-methyl-1-heptanol-ME241048--12.013-
2-Methoxy-6-methyl-4-phenyl-quinazoline-ME241049--6.696-
2-Methoxyestradiol, 2TMS derivative2-Methoxyestradiol-17betaME241050--22.635-
2-Monomyristin, 2TMS derivativeMG 14:0ME241051137938-21.884-
2-Monostearin, 2TMS derivative-ME241052--24.938-
2-O-Glycerol-.alpha.-d-galactopyranoside, hexa-TMS-ME241053--21.59-
2-Palmitoylglycerol, 2TMS derivativeMG 0:0/16:0/0:0ME241054123409-23.438-
2-Phenyl-1,3-oxazol-2-ine-ME241055--7.524-
2-Propenoic acid, 2,3,3-tris[(trimethylsilyl)oxy]-...Acrylic acidME241056--11.378-
2-Pyrrolidinone, TMS derivative2-PyrrolidinoneME24105712025C111188.611-
3-.alpha.-Mannobiose, octakis(trimethylsilyl) ethe...-ME241058448165-18.174-
3-.alpha.-Mannobiose, octakis(trimethylsilyl) ethe...-ME241059448165-18.218-
3-[3-(4-Hydroxyphenyl)-3-oxoprop-1-en-1-yl]-6-meth...-ME241060--13.359-
3-Bromo-1-propanol, TMS derivative-ME24106112308-6.758-
3-Pyridinol, TMS derivative3-HydroxypyridineME2410627971-7.549-
4-Bromo-1-butanol, TBDMS derivative-ME241063118388-8.038-
4-Pyridinol, TMS derivative4-PyridoneME24106412290-7.064-
5,5'-Biphthalide-ME241065--18.199-
9-Decenoic acid, TMS derivativeCaproleic acidME24106661743-12.243-
9-Hexadecenoic acid, (Z)-, TBDMS derivativePalmitoleic acidME241067445638C0836233.419-
9-Tetradecenoic acid, (E)-, TMS derivative-ME241068--16.809-
Acetamide, TMS derivativeAcetamideME241069178C062446.803-
acetyl chloride, 2,2'-[1,2-ethanediylbis(oxy)]bis--ME241070--7.125-
Aminomalonic acid, tris(trimethylsilyl)-Aminomalonic acidME241071100714-12.535-
Anthraquinone, 1-(o-chlorophenyl)-9,10-AnthraquinoneME2410726780-32.758-
Arachidonic acid, TMS derivativeArachidonic acidME241073444899C0021921.775-
Benzoic acid, 4-ethoxy-, ethyl ester-ME24107490232-13.374-
Benzoic acid, 5-methoxy-2-[(trimethylsilyl)oxy]-, ...Benzoic acidME241075--31.631-
Benzoic Acid, TMS derivative,Benzoic acidME241076243C005399.85-
Butanoic acid, 2,4-bis[(trimethylsilyl)oxy]-, trim...Butyric acidME241077--11.799-
Butylphosphonic acid, pentyl 4-(2-phenylprop-2-yl)...-ME24107876839-22.85-
Campesterol, TMS derivativeCampesterolME241079173183C0178928.361-
Carbonic acid, eicosyl vinyl ester-ME241080--17.57-
Carbonic acid, octadecyl vinyl ester-ME241081--20.319-
Cholest-7-en-3-ol, (3.beta.,5.alpha.)-, TMS deriva...-ME241082--28.034-
Cyclodecasiloxane, eicosamethyl--ME241083--23.994-
Cycloheptasiloxane, tetradecamethyl--ME241084--12.554-
Cyclohexane, 1,2,3,4,5,6-hexaethyl--ME241085--22.349-
Cyclohexasiloxane, dodecamethyl--ME241086--10.359-
Cyclohexene, 3-butyl-3,5,5-trimethyl-1-(trimethyls...-ME241087--9.038-
Cyclononasiloxane, octadecamethyl--ME241088--16.439-
Cyclooctasiloxane, hexadecamethyl--ME241089--14.515-
D-(+)-Turanose, octakis(trimethylsilyl) etherTuranoseME2410905460935C1963617.969-
D-Arabino-Hexonic acid, 2-deoxy-3,5-bis-O-(trimeth...-ME241091--26.812-
Decane, 2,4-dimethyl--ME241092--9.404-
dibenzo[b,i][1,4,8,11]tetraazacyclotetradecine, 5,...-ME241093--15.636-
Diethanolamine, 2TMS derivativeDiethanolamineME2410948113C0677210.28-
Dihydrouracil, 2TMS derivativeDihydrouracilME241095649C0042911.734-
Disiloxane, 1,3-bis(1,1-dimethylethyl)-1,1,3,3-tet...-ME241096--8.499-
Disiloxane, hexamethyl--ME241097--8.932-
DL-Ornithine, 3TMS derivativeOrnithineME2410989750C0032715.849-
Doconexent, TMS derivativeDHAME241099445580C0642923.282-
Dodecane, 1-iodo--ME24110020282-16.319-
Dodecane, 4,6-dimethyl--ME241101--10.964-
Ethanol, 2-(methylamino)-, N-trifluoroacetyl, O-(t...-ME241102--9.226-
Ethanolamine, 3TMS derivativeEthanolamineME241103700C001899.654-
Ethyl .alpha.-D-glucopyranoside, 4TMS derivative-ME241104428040-19.281-
Galactose oxime, 6TMS derivative-ME2411056436748-19.695-
Gluconic acid, 2-methoxime, tetra(trimethylsilyl)-...Gluconic acidME241106--14.653-
Glucose, 5TMS derivativeGlucoseME2411075793C0003119.476-
Gluconic acid, 2-methoxime, 3TMS derivative-ME241108--14.8-
Glycine, 2TMS derivativeGlycineME241109750C000378.273-
Glycine, TMS derivativeGlycineME241110750C000376.703-
Glycolic acid, 2TMS derivativeGlycolic acidME241111757C035477.982-
HeneicosaneHeneicosaneME24111212403-20.091-
HeptacosaneHeptacosaneME24111311636-17.058-
Heptadecanoic acid, glycerine-(1)-monoester, bis-O...Margaric acidME241114633500-24.202-
Heptasiloxane, hexadecamethyl--ME24111571359046-28.191-
HexadecaneHexadecaneME24111611006C1449916.194-
Hexadecane, 2-methyl--ME241117--15.375-
Indol-5-ol, 2TMS derivative-ME24111816054-15.381-
Lactic Acid, 2TMS derivativeLactic acidME241119107689C001867.429-
L-Alanine, 2TMS derivativeAlanineME2411205950C000417.928-
L-Alanine, TMS derivativeAlanineME2411215950C000416.721-
L-Asparagine, 2TMS derivativeAsparagineME2411226267C0015214.113-
Leu-Trp, N-trimethylsilyl-, trimethylsilyl esterLeu-TrpME241123329275-27.201-
L-Phenylalanine, 2TMS derivativePhenylalanineME2411246140C0007914.438-
L-Proline, 2TMS derivativeProlineME241125145742C0014813.905-
L-Proline, TMS derivativeProlineME241126145742C001488.951-
L-Serine, 2TMS derivativeSerineME2411275951C000659.904-
L-Valine, TMS derivativeValineME2411286287C001837.969-
m-Cresol, TMS derivativem-CresolME241129342C014678.487-
Methoxyamine, TMS derivativeMethoxamineME2411306082C075137.245-
Methyl 2-[2-(4-chlorophenyl)-5-methyl-1H-imidazol-...-ME241131--34.069-
Methyl galactoside, 4TMS derivativeMethyl beta-D-galactosideME2411322108-18.596-
Monolaurin, 2TMS derivativeMG 12:0ME24113314871-20.301-
N-(6-Quinolinyl)phthalimide-ME241134--16.088-
N-(Hydroxymethyl)trifluoroacetamide, TMS derivativ...-ME241135--6.68-
N-Acetyl glucosamine methoxime, tetrakis(trimethyl...N-AcetylglucosamineME241136--22.296-
Nonanoic acid, TMS derivativePelargonic acidME2411378158C0160111.202-
OctadecaneOctadecaneME24113811635-16.736-
Oxalic acid, 2TMS derivativeOxalic acidME241139971C002098.536-
Pentadecanoic acid, glycerine-(1)-monoester, bis-O...-ME241140632090-22.718-
Pentadecanoic acid, TMS derivativePentadecylic acidME24114113849C1653717.861-
Pentasiloxane, dodecamethyl--ME24114257376562-8.557-
Phenol, 2,4-bis(1,1-dimethylethyl)-, phosphite (3:...-ME241143--29.447-
Phenol, TMS derivativePhenolME241144996C155847.267-
Phosphoric acid, 2-(trimethylsiloxy)-1-[(trimethyl...Phosphoric acidME241145--27.779-
Phosphoric acid, 2-[(trimethylsilyl)oxy]-1,3-propa...Phosphoric acidME241146--25.648-
Phosphoric acid, bis(trimethylsilyl)monomethyl est...Phosphoric acidME241147--8.907-
propanedinitrile, 2-(1-methyl-2,6-diphenyl-4(1H)-p...-ME241148--33.105-
Propanoic acid, 2,2-dimethyl-, sodium salt-ME241149--9.657-
Propylene glycol, 2TMS derivativePropylene glycolME2411501030C005837.476-
Propylparaben, TMS derivativePropylparabenME2411517175-14.929-
Pseudo uridine penta-tmsPseudouridineME24115215047C0206721.393-
p-Tolyl-.beta.-D-glucuronide, tris(trimethylsilyl)...-ME241153--23.341-
Pyroglutamic acid, TMS derivativePyroglutamic acidME2411547405C0187912.992-
Ribonic acid, 2,3,4,5-tetrakis-O-(trimethylsilyl)-...Ribonic acidME241155--16.184-
Sedoheptulose, o-methyloxime, hexakis-O-(trimethyl...-ME241156--19.41-
Silane, diethyldecyloxyhexadecyloxy--ME241157--27.559-
Silane, dimethyl(octadecyloxy)propyl--ME241158--19.902-
Silane, dimethyl-2-propenyl(tetradecyloxy)--ME241159--15.988-
tert-Butyl(2-(tert-butyl)-4-methoxyphenoxy)dimethy...-ME241160--19.752-
Tetradecane, 1-iodo--ME24116129507-16.113-
Tetradecanoic acid, triethylsilyl esterMyristic acidME24116211005C0642433.353-
Tetrasiloxane, decamethyl--ME241163--6.93-
Thiazolidine-2,5-dione1,3-Thiazolidine-2,5-dioneME241164--8.922-
Tricosanoic acid, 2-methoxy-, methyl ester-ME241165--29.775-
Trimethylsilyl 3-((trimethylsilyl)thio)propanoate-ME241166--8.493-
Undecane, 2,10-dimethyl--ME241167--15.813-
Undecane, 3,8-dimethyl--ME241168--14.001-
Undecane, 4,7-dimethyl--ME241169--9.59-
Urea, 2TMS derivativeUreaME2411701176C000869.978-
Uridine, 3TMS derivativeUridineME2411716029C0029922.217-


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