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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-ME343178----
aGlc_1-ME343405----
aGlc 13C-A_1-ME343403----
aGlc 13C-B_1-ME343404----
aGlc_2-ME343406----
Ala13C-A_1AlanineME343181----
Ala13C-A_2AlanineME343182----
Ala13C-A_3AlanineME343183----
Ala13C-A_4AlanineME343184----
Ala13C-A_5AlanineME343185----
Ala13C-A_6AlanineME343186----
Ala13C-A_7AlanineME343187----
Ala13C-B_1AlanineME343188----
Ala13C-B_2AlanineME343189----
Ala13C-B_3AlanineME343190----
Ala13C-B_4AlanineME343191----
Ala13C-B_5AlanineME343192----
Ala13C-B_6AlanineME343193----
Ala-3_1AlanineME343179----
Ala-3_2AlanineME343180----
Asp-3a_1-ME343194----
Asp-3a_2-ME343195----
Asp-3a_3-ME343196----
Asp-3a_4-ME343197----
Asp-3b_1-ME343198----
Asp-3b_2-ME343199----
Asp-3b_3-ME343200----
Asp-3b_4-ME343201----
AXP-1'_1-ME343167----
AXP-1' 13C-A_1-ME343165----
AXP-1' 13C-B_1-ME343166----
AXP-1'_2-ME343168----
AXP-1'_3-ME343169----
AXP-1'_4-ME343170----
AXP-2_1-ME343171----
AXP-2_2-ME343172----
AXP-2_3-ME343173----
AXP-2_4-ME343174----
AXP-2_5-ME343175----
AXP-8_1-ME343176----
AXP-8_2-ME343177----
bGlc_1-ME343411----
bGlc 13C-A_1-ME343407----
bGlc 13C-A_2-ME343408----
bGlc 13C-A_3-ME343409----
bGlc 13C-A_4-ME343410----
bGlc_2-ME343412----
bOH-butyrate_1-ME343413----
bOH-butyrate_2-ME343414----
Creat_1-ME343204----
CXP-6_1-ME343202----
CXP-6_2-ME343203----
Cys-3-GSH_1-ME343205----
Cys-3-GSH_2-ME343206----
Cys-3-GSH_3-ME343207----
Cys-3-GSH_4-ME343208----
DSS_1DapsoneME343209----
For_1-ME343210----
Fum_1-ME343211----
Gln-4_1GlutamineME343246----
Gln-4_10GlutamineME343247----
Gln-4_11GlutamineME343248----
Gln-4_12GlutamineME343249----
Gln-4_13GlutamineME343250----
Gln-4_14GlutamineME343251----
Gln-4_2GlutamineME343252----
Gln-4_3GlutamineME343253----
Gln-4_4GlutamineME343254----
Gln-4_5GlutamineME343255----
Gln-4_6GlutamineME343256----
Gln-4_7GlutamineME343257----
Gln-4_8GlutamineME343258----
Gln-4_9GlutamineME343259----
Gln+Glu-2_1Gln-GluME343236----
Gln+Glu-2_10Gln-GluME343237----
Gln+Glu-2_2Gln-GluME343238----
Gln+Glu-2_3Gln-GluME343239----
Gln+Glu-2_4Gln-GluME343240----
Gln+Glu-2_5Gln-GluME343241----
Gln+Glu-2_6Gln-GluME343242----
Gln+Glu-2_7Gln-GluME343243----
Gln+Glu-2_8Gln-GluME343244----
Gln+Glu-2_9Gln-GluME343245----
Glu-3-a_1-ME343260----
Glu-3-a_10-ME343261----
Glu-3-a_11-ME343262----
Glu-3-a_12-ME343263----
Glu-3-a_13-ME343264----
Glu-3-a_14-ME343265----
Glu-3-a_15-ME343266----
Glu-3-a_16-ME343267----
Glu-3-a_2-ME343268----
Glu-3-a_3-ME343269----
Glu-3-a_4-ME343270----
Glu-3-a_5-ME343271----
Glu-3-a_6-ME343272----
Glu-3-a_7-ME343273----
Glu-3-a_8-ME343274----
Glu-3-a_9-ME343275----
Glu-4_1Glutamic acidME343276----
Glu-4_10Glutamic acidME343277----
Glu-4_11Glutamic acidME343278----
Glu-4_2Glutamic acidME343279----
Glu-4_3Glutamic acidME343280----
Glu-4_4Glutamic acidME343281----
Glu-4_5Glutamic acidME343282----
Glu-4_6Glutamic acidME343283----
Glu-4_7Glutamic acidME343284----
Glu-4_8Glutamic acidME343285----
Glu-4_9Glutamic acidME343286----
Gly_1GlycineME343287----
Glycogen_1GlycogenME343288----
Glycogen_2GlycogenME343289----
GSH+GSSG-3_1-ME343212----
GSH+GSSG-3_2-ME343213----
GSH+GSSG-3_3-ME343214----
GSH+GSSG-3_4-ME343215----
GSH+GSSG-4_1-ME343216----
GSH+GSSG-4_10-ME343217----
GSH+GSSG-4_11-ME343218----
GSH+GSSG-4_12-ME343219----
GSH+GSSG-4_13-ME343220----
GSH+GSSG-4_14-ME343221----
GSH+GSSG-4_15-ME343222----
GSH+GSSG-4_16-ME343223----
GSH+GSSG-4_2-ME343224----
GSH+GSSG-4_3-ME343225----
GSH+GSSG-4_4-ME343226----
GSH+GSSG-4_5-ME343227----
GSH+GSSG-4_6-ME343228----
GSH+GSSG-4_7-ME343229----
GSH+GSSG-4_8-ME343230----
GSH+GSSG-4_9-ME343231----
GSSG-12_1Oxidized glutathioneME343232----
GSSG-12_2Oxidized glutathioneME343233----
GSSG-12_3Oxidized glutathioneME343234----
GSSG-12_4Oxidized glutathioneME343235----
Ile_1IsoleucineME343290----
Ile_2IsoleucineME343291----
Itaconate-5a_1-ME343292----
Lac13C-A_1Lactic acidME343314----
Lac13C-A_2Lactic acidME343315----
Lac13C-A_3Lactic acidME343316----
Lac13C-A_4Lactic acidME343317----
Lac13C-A_5Lactic acidME343318----
Lac13C-A_6Lactic acidME343319----
Lac13C-A_7Lactic acidME343320----
Lac13C-A_8Lactic acidME343321----
Lac13C-A_9Lactic acidME343322----
Lac13C-B_1Lactic acidME343323----
Lac13C-B_2Lactic acidME343324----
Lac13C-B_3Lactic acidME343325----
Lac13C-B_4Lactic acidME343326----
Lac13C-B_5Lactic acidME343327----
Lac13C-B_6Lactic acidME343328----
Lac13C-B_7Lactic acidME343329----
Lac13C-B_8Lactic acidME343330----
Lac-2_1Lactic acidME343307----
Lac-2 13C-B_1-ME343293----
Lac-2 13C-B_10-ME343294----
Lac-2 13C-B_11-ME343295----
Lac-2 13C-B_12-ME343296----
Lac-2 13C-B_13-ME343297----
Lac-2 13C-B_14-ME343298----
Lac-2 13C-B_2-ME343299----
Lac-2 13C-B_3-ME343300----
Lac-2 13C-B_4-ME343301----
Lac-2 13C-B_5-ME343302----
Lac-2 13C-B_6-ME343303----
Lac-2 13C-B_7-ME343304----
Lac-2 13C-B_8-ME343305----
Lac-2 13C-B_9-ME343306----
Lac-2_2Lactic acidME343308----
Lac-2_3Lactic acidME343309----
Lac-2_4Lactic acidME343310----
Lac-2_5Lactic acidME343311----
Lac-3_1Lactic acidME343312----
Lac-3_2Lactic acidME343313----
Me-His A_1-ME343331----
Me-His B_1-ME343332----
m-Ins-1,3_1-ME343415----
m-Ins-1,3_2-ME343416----
m-Ins-1,3_3-ME343417----
m-Ins-1,3_4-ME343418----
m-Ins-2?_1-ME343419----
m-Ins-2?_2-ME343420----
m-Ins-2?_3-ME343421----
NAD+-A1'_1-ME343333----
NAD+-A1'_2-ME343334----
NAD+-N1'_1-ME343336----
NAD+-N1' 13C-B_1-ME343335----
NAD+-N1'_2-ME343337----
NAD-N2_1-ME343338----
NAD-N6_1-ME343339----
NAD-N6_2-ME343340----
NADP-N2_1-ME343341----
NADP-N6_1-ME343342----
NADP-N6_2-ME343343----
Nicotin-5_1NAD+ME343344----
P-Cho A_1-ME343345----
P-Cho B_1-ME343346----
P-Cho B_2-ME343347----
P-Cho B_3-ME343348----
P-Cho B_4-ME343349----
P-Cho B_5-ME343350----
P-Cho B_6-ME343351----
P-Cho B_7-ME343352----
P-Cho B_8-ME343353----
P-Cho B_9-ME343354----
Phe-2,6_1-ME343355----
Phe-2,6_2-ME343356----
Phe-3,5_1-ME343357----
Phe-3,5_2-ME343358----
Phe-3,5_3-ME343359----
Pro-5 A_1-ME343360----
Pro-5 A_2-ME343361----
Pro-5 A_3-ME343362----
Pro-5 A_4-ME343363----
Pro-5 A_5-ME343364----
Pro-5 A_6-ME343365----
Pro-5 A_7-ME343366----
Pro-5 A_8-ME343367----
pyruvate-3_1Pyruvic acidME343422----
Ser-2_1SerineME343368----
Ser-2_2SerineME343369----
Ser-2_3SerineME343370----
Ser-2_4SerineME343371----
Ser-2_5SerineME343372----
Ser-2_6SerineME343373----
Ser-2_7SerineME343374----
Ser-2_8SerineME343375----
Ser-2_9SerineME343376----
Succinate-2,3_1-ME343377----
Tau-1 (SCH2)_1-ME343378----
Tau-1 (SCH2)_2-ME343379----
Tau-1 (SCH2)_3-ME343380----
Tau-2 (NCH2)_1-ME343381----
Tau-2 (NCH2)_2-ME343382----
Tau-2 (NCH2)_3-ME343383----
Thr_1ThreonineME343384----
Thr_2ThreonineME343385----
Trp-4_1TryptophanME343386----
Trp-4_2TryptophanME343387----
Tyr-2,6_1-ME343388----
Tyr-2,6_2-ME343389----
Tyr-3,5_1-ME343390----
Tyr-3,5_2-ME343391----
UXP-1'_1-ME343392----
UXP-1'_2-ME343393----
UXP-5_1-ME343394----
UXP-5_2-ME343395----
UXP-5_3-ME343396----
UXP-5_4-ME343397----
UXP-6_1-ME343398----
UXP-6_2-ME343399----
UXP-6_3-ME343400----
Val-B_1-ME343401----
Val-B_2-ME343402----


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