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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
Ace-2_1-ME342858----
aGlc_1-ME343083----
aGlc 13C-A_1-ME343079----
aGlc 13C-B_1-ME343080----
aGlc 13C-B_2-ME343081----
aGlc 13C-B_3-ME343082----
aGlc_2-ME343084----
Ala13C-A_1AlanineME342861----
Ala13C-A_2AlanineME342862----
Ala13C-A_3AlanineME342863----
Ala13C-A_4AlanineME342864----
Ala13C-A_5AlanineME342865----
Ala13C-A_6AlanineME342866----
Ala13C-B_1AlanineME342867----
Ala13C-B_2AlanineME342868----
Ala13C-B_3AlanineME342869----
Ala13C-B_4AlanineME342870----
Ala13C-B_5AlanineME342871----
Ala13C-B_6AlanineME342872----
Ala13C-B_7AlanineME342873----
Ala13C-B_8AlanineME342874----
Ala-3_1AlanineME342859----
Ala-3_2AlanineME342860----
Asp-3a_1-ME342875----
Asp-3a_2-ME342876----
Asp-3a_3-ME342877----
Asp-3a_4-ME342878----
Asp-3b_1-ME342879----
Asp-3b_2-ME342880----
Asp-3b_3-ME342881----
Asp-3b_4-ME342882----
AXP-1'_1-ME342853----
AXP-1' 13C-A_1-ME342850----
AXP-1' 13C-B_1-ME342851----
AXP-1' 13C-B_2-ME342852----
AXP-1'_2-ME342854----
AXP-2_1-ME342855----
AXP-2_2-ME342856----
AXP-8_1-ME342857----
bGlc_1-ME343095----
bGlc 13C-A_1-ME343085----
bGlc 13C-A_2-ME343086----
bGlc 13C-A_3-ME343087----
bGlc 13C-A_4-ME343088----
bGlc 13C-A_5-ME343089----
bGlc 13C-B_1-ME343090----
bGlc 13C-B_2-ME343091----
bGlc 13C-B_3-ME343092----
bGlc 13C-B_4-ME343093----
bGlc 13C-B_5-ME343094----
bGlc_2-ME343096----
bGlc_3-ME343097----
Creat_1-ME342884----
CXP-6_1-ME342883----
Cys-3-GSH_1-ME342885----
Cys-3-GSH_2-ME342886----
Cys-3-GSH_3-ME342887----
Cys-3-GSH_4-ME342888----
DSS_1DapsoneME342889----
For_1-ME342890----
Fum_1Fumaric acidME342891----
Gln-3_1GlutamineME342930----
Gln-3_2GlutamineME342931----
Gln-3_3GlutamineME342932----
Gln-4_1GlutamineME342933----
Gln-4_2GlutamineME342934----
Gln-4_3GlutamineME342935----
Gln-4_4GlutamineME342936----
Gln-4_5GlutamineME342937----
Gln-4_6GlutamineME342938----
Gln-4_7GlutamineME342939----
Gln-4_8GlutamineME342940----
Gln+Glu-2_1Gln-GluME342914----
Gln+Glu-2_10Gln-GluME342915----
Gln+Glu-2_11Gln-GluME342916----
Gln+Glu-2_12Gln-GluME342917----
Gln+Glu-2_13Gln-GluME342918----
Gln+Glu-2_14Gln-GluME342919----
Gln+Glu-2_15Gln-GluME342920----
Gln+Glu-2_16Gln-GluME342921----
Gln+Glu-2_2Gln-GluME342922----
Gln+Glu-2_3Gln-GluME342923----
Gln+Glu-2_4Gln-GluME342924----
Gln+Glu-2_5Gln-GluME342925----
Gln+Glu-2_6Gln-GluME342926----
Gln+Glu-2_7Gln-GluME342927----
Gln+Glu-2_8Gln-GluME342928----
Gln+Glu-2_9Gln-GluME342929----
Glu-3-a_1-ME342941----
Glu-3-a_10-ME342942----
Glu-3-a_11-ME342943----
Glu-3-a_12-ME342944----
Glu-3-a_13-ME342945----
Glu-3-a_14-ME342946----
Glu-3-a_2-ME342947----
Glu-3-a_3-ME342948----
Glu-3-a_4-ME342949----
Glu-3-a_5-ME342950----
Glu-3-a_6-ME342951----
Glu-3-a_7-ME342952----
Glu-3-a_8-ME342953----
Glu-3-a_9-ME342954----
Glu-3-b_1-ME342955----
Glu-3-b_2-ME342956----
Glu-3-b_3-ME342957----
Glu-3-b_4-ME342958----
Glu-3-b_5-ME342959----
Glu-3-b_6-ME342960----
Glu-3-b_7-ME342961----
Glu-3-b_8-ME342962----
Glu-4_1Glutamic acidME342963----
Glu-4_10Glutamic acidME342964----
Glu-4_2Glutamic acidME342965----
Glu-4_3Glutamic acidME342966----
Glu-4_4Glutamic acidME342967----
Glu-4_5Glutamic acidME342968----
Glu-4_6Glutamic acidME342969----
Glu-4_7Glutamic acidME342970----
Glu-4_8Glutamic acidME342971----
Glu-4_9Glutamic acidME342972----
Gly_1GlycineME342973----
Glycogen_1GlycogenME342974----
Glycogen_2GlycogenME342975----
Glycogen_3GlycogenME342976----
GSH+GSSG-3_1GlutathioneME342892----
GSH+GSSG-3_2GlutathioneME342893----
GSH+GSSG-3_3GlutathioneME342894----
GSH+GSSG-3_4GlutathioneME342895----
GSH+GSSG-3_5-ME342896----
GSH+GSSG-3_6-ME342897----
GSH+GSSG-4_1GlutathioneME342898----
GSH+GSSG-4_2GlutathioneME342899----
GSH+GSSG-4_3GlutathioneME342900----
GSH+GSSG-4_4GlutathioneME342901----
GSH+GSSG-4_5GlutathioneME342902----
GSH+GSSG-4_6GlutathioneME342903----
GSH+GSSG-4_7GlutathioneME342904----
GSH+GSSG-4_8GlutathioneME342905----
GSH+GSSG-4_9-ME342906----
GSSG-12_1Oxidized glutathioneME342907----
GSSG-12_2Oxidized glutathioneME342908----
GSSG-12_3Oxidized glutathioneME342909----
GSSG-12_4Oxidized glutathioneME342910----
GSSG-12_5Oxidized glutathioneME342911----
GXP-1'_1-ME342912----
GXP-1'_2-ME342913----
Ile_1IsoleucineME342977----
Ile_2IsoleucineME342978----
Inosine-1'_1-ME342979----
Inosine-1'_2-ME342980----
Itaconate-5a_1-ME342981----
Lac13C-A_1Lactic acidME342998----
Lac13C-A_2Lactic acidME342999----
Lac13C-A_3Lactic acidME343000----
Lac13C-A_4Lactic acidME343001----
Lac13C-A_5Lactic acidME343002----
Lac13C-A_6Lactic acidME343003----
Lac13C-A_7Lactic acidME343004----
Lac13C-A_8Lactic acidME343005----
Lac13C-B_1Lactic acidME343006----
Lac13C-B_2Lactic acidME343007----
Lac13C-B_3Lactic acidME343008----
Lac13C-B_4Lactic acidME343009----
Lac13C-B_5Lactic acidME343010----
Lac13C-B_6Lactic acidME343011----
Lac13C-B_7Lactic acidME343012----
Lac13C-B_8Lactic acidME343013----
Lac-2_1Lactic acidME342991----
Lac-2 13C-B_1-ME342982----
Lac-2 13C-B_2-ME342983----
Lac-2 13C-B_3-ME342984----
Lac-2 13C-B_4-ME342985----
Lac-2 13C-B_5-ME342986----
Lac-2 13C-B_6-ME342987----
Lac-2 13C-B_7-ME342988----
Lac-2 13C-B_8-ME342989----
Lac-2 13C-B_9-ME342990----
Lac-2_2Lactic acidME342992----
Lac-2_3Lactic acidME342993----
Lac-2_4Lactic acidME342994----
Lac-3_1Lactic acidME342995----
Lac-3_2Lactic acidME342996----
Lac-3_3Lactic acidME342997----
Me-His A_1-ME343014----
Me-His B_1-ME343015----
Me-His B_2-ME343016----
Met-CH3_1-ME343017----
m-Ins-1,3_1-ME343098----
m-Ins-1,3_2-ME343099----
m-Ins-1,3_3-ME343100----
m-Ins-1,3_4-ME343101----
m-Ins-1,3_5-ME343102----
m-Ins-2?_1-ME343103----
m-Ins-2?_2-ME343104----
m-Ins-2?_3-ME343105----
NAD+-A1'_1-ME343018----
NAD+-A1'_2-ME343019----
NAD+-N1'_1-ME343022----
NAD+-N1' 13C-B_1-ME343020----
NAD+-N1' 13C-B_2-ME343021----
NAD+-N1'_2-ME343023----
NAD-N2_1-ME343024----
NAD-N6_1-ME343025----
NAD-N6_2-ME343026----
NADP-N6_1-ME343027----
Nicotin-2_1NAD+ME343028----
Nicotin-2_2NAD+ME343029----
Nicotin-5_1NAD+ME343030----
Nicotin-5_2NAD+ME343031----
Nicotin-5_3NAD+ME343032----
Nicotin-5_4NAD+ME343033----
Nicotin-6_1NAD+ME343034----
Nicotin-6_2NAD+ME343035----
Nicotin-6_3NAD+ME343036----
Nicotin-6_4NAD+ME343037----
P-Cho A_1-ME343038----
P-Cho A_2-ME343039----
P-Cho B_1-ME343040----
P-Cho B_2-ME343041----
P-Cho B_3-ME343042----
P-Cho B_4-ME343043----
P-Cho B_5-ME343044----
P-Cho B_6-ME343045----
P-Cho B_7-ME343046----
P-Cho B_8-ME343047----
P-Cho B_9-ME343048----
Phe-2,6_1-ME343049----
Phe-2,6_2-ME343050----
Phe-2,6_3-ME343051----
Phe-3,5_1-ME343052----
Phe-3,5_2-ME343053----
Phe-3,5_3-ME343054----
pyruvate-3_1Pyruvic acidME343106----
Succinate-2,3_1-ME343055----
Tau-1 (SCH2)_1-ME343056----
Tau-1 (SCH2)_2-ME343057----
Tau-1 (SCH2)_3-ME343058----
Tau-2 (NCH2)_1-ME343059----
Tau-2 (NCH2)_2-ME343060----
Tau-2 (NCH2)_3-ME343061----
Tris_1-ME343062----
Trp-4_1TryptophanME343063----
Trp-4_2TryptophanME343064----
Tyr-2,6_1-ME343065----
Tyr-2,6_2-ME343066----
Tyr-3,5_1-ME343067----
Tyr-3,5_2-ME343068----
UXP-1'_1-ME343069----
UXP-1'_2-ME343070----
UXP-5_1-ME343071----
UXP-5_2-ME343072----
UXP-5_3-ME343073----
UXP-5_4-ME343074----
UXP-6_1-ME343075----
UXP-6_2-ME343076----
Val-B_1-ME343077----
Val-B_2-ME343078----


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