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Analysis: NMR data

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-Hydroxybutyric acid2-Hydroxybutyric acidME307539-C05984--
3-Hydroxybutyric acid3-Hydroxybutyric acidME307541-C01089--
AlanineAlanineME307542-C00041--
BetaineBetaineME307543-C00719--
C14_cerCer 18:1;O2/14:0ME390972--15.053-
C14HexosylCerHexCer 18:1;O2/14:0ME390997--15.979-
C14Lact-CerLacCer 18:1;O2/14:0ME390996--15.552-
C14-SMSM 18:1;O2/14:0ME390984--17.662-
C16_cerCer 18:1;O2/16:0ME390973--16.57993424-
C16Lact-CerLacCer 18:1;O2/16:0ME390998--16.742-
C16-SMSM 18:1;O2/16:0ME390985--18.481-
C18_1_cerCer 18:1;O2/18:1ME390974--17.0608333-
C18_1-SMSM 18:1;O2/18:1ME390986--19.081-
C18_cerCer 18:1;O2/18:0ME390975--17.93720568-
C18-SMSM 18:1;O2/18:0ME390987--19.711-
C20_1_cerCer 18:1;O2/20:1ME390976--18.62231951-
C20_1-SMSM 18:1;O2/20:1ME390988--19.964-
C20_cerCer 18:1;O2/20:0ME390977--19.3108956-
C20-SMSM 18:1;O2/20:0ME390989--20.845-
C22_1_cerCer 18:1;O2/22:1ME390978--19.94082869-
C22_1-SMSM 18:1;O2/22:1ME390990--20.658-
C22_cerCer 18:1;O2/22:0ME390979--20.77011827-
C22-SMSM 18:1;O2/22:0ME390991--21.602-
C24_1_cerCer 18:1;O2/24:1ME390980--20.97331072-
C24_1-SMSM 18:1;O2/24:1ME390992--21.729-
C24_cerCer 18:1;O2/24:0ME390981--22.3756384-
C24-SMSM 18:1;O2/24:0ME390993--22.988-
C26_1_cerCer 18:1;O2/26:1ME390982--22.87423635-
C26_1-SMSM 18:1;O2/26:1ME390994--23.083-
C26_cerCer 18:1;O2/26:0ME390983--24.53351824-
C26-SMSM 18:1;O2/26:0ME390995--24.624-
CAR(2:0)CAR 2:0ME307558-C02571--
CarnitineCarnitineME307544-C00318--
CholineCholineME307545-C00114--
Citric acidCitric acidME307546-C00158--
CreatineCreatineME307547-C00300--
CreatinineCreatinineME307548-C00791--
GlucoseGlucoseME307549-C00221--
GlutamineGlutamineME307550-C00064--
GlycineGlycineME307551-C00037--
HistidineHistidineME307552-C00135--
IsoleucineIsoleucineME307553-C00407--
KetoleucineKetoleucineME307540-C00233--
Lactic acidLactic acidME307554-C00186--
LeucineLeucineME307555-C00123--
LysineLysineME307556-C00047--
MethionineMethionineME307557-C00073--
OrnithineOrnithineME307559-C00077--
PhenylalaninePhenylalanineME307560-C00079--
ProlineProlineME307561-C00148--
Propylene glycolPropylene glycolME307562-C00583--
Pyruvic acidPyruvic acidME307563-C00022--
t0c101carnitine-ME390027----
t0c10carnitine-ME390028----
t0c121carnitine-ME390029----
t0c12carnitine-ME390030----
t0c141carnitine-ME390031----
t0c14carnitine-ME390032----
t0c161carnitine-ME390033----
t0c16carnitine-ME390037----
t0c181carnitine-ME390038----
t0c182carnitine-ME390035----
t0c18carnitine-ME390040----
t0c201carnitine-ME390041----
t0c202carnitine-ME390039----
t0c203carnitine-ME390036----
t0c204carnitine-ME390034----
t0c20carnitine-ME390042----
t0c2carnitine-ME390020----
t0c3carnitine-ME390021----
t0c4carnitine-ME390022----
t0c5carnitine-ME390023----
t0c6carnitine-ME390024----
t0c81carnitine-ME390025----
t0c8carnitine-ME390026----
t0lcarnitine-ME390019----
TyrosineTyrosineME307564-C00082--
ValineValineME307565-C00183--


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