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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-ME271576----
aGlc_1-ME271728----
aGlc 13C-A_1-ME271725----
aGlc 13C-B_1-ME271726----
aGlc 13C-B_2-ME271727----
aGlc_2-ME271729----
Ala-3_1AlanineME271577----
Ala-3_2AlanineME271578----
AXP-1'_1-ME271571----
AXP-1' 13C-B_1-ME271570----
AXP-1'_2-ME271572----
AXP-1'_3-ME271573----
AXP-1'_4-ME271574----
AXP-2_1-ME271575----
bGlc_1-ME271734----
bGlc 13C-A_1-ME271730----
bGlc 13C-A_2-ME271731----
bGlc 13C-A_3-ME271732----
bGlc 13C-A_4-ME271733----
bGlc_2-ME271735----
Creat_1-ME271581----
Creat-P_1-ME271580----
CXP-6_1-ME271579----
DSS_1DapsoneME271582----
For_1-ME271583----
Fum_1Fumaric acidME271584----
Gln-3_1GlutamineME271613----
Gln-3_2GlutamineME271614----
Gln-3_3GlutamineME271615----
Gln-4_1GlutamineME271616----
Gln-4_2GlutamineME271617----
Gln-4_3GlutamineME271618----
Gln-4_4GlutamineME271619----
Gln+Glu-2_1Gln-GluME271603----
Gln+Glu-2_10Gln-GluME271604----
Gln+Glu-2_2Gln-GluME271605----
Gln+Glu-2_3Gln-GluME271606----
Gln+Glu-2_4Gln-GluME271607----
Gln+Glu-2_5Gln-GluME271608----
Gln+Glu-2_6Gln-GluME271609----
Gln+Glu-2_7Gln-GluME271610----
Gln+Glu-2_8Gln-GluME271611----
Gln+Glu-2_9Gln-GluME271612----
Glu-3-a_1-ME271620----
Glu-3-a_10-ME271621----
Glu-3-a_11-ME271622----
Glu-3-a_12-ME271623----
Glu-3-a_13-ME271624----
Glu-3-a_2-ME271625----
Glu-3-a_3-ME271626----
Glu-3-a_4-ME271627----
Glu-3-a_5-ME271628----
Glu-3-a_6-ME271629----
Glu-3-a_7-ME271630----
Glu-3-a_8-ME271631----
Glu-3-a_9-ME271632----
Glu-3-b_1-ME271633----
Glu-3-b_2-ME271634----
Glu-3-b_3-ME271635----
Glu-3-b_4-ME271636----
Glu-3-b_5-ME271637----
Glu-3-b_6-ME271638----
Glu-3-b_7-ME271639----
Glu-4_1Glutamic acidME271640----
Glu-4_2Glutamic acidME271641----
Glu-4_3Glutamic acidME271642----
Glu-4_4Glutamic acidME271643----
Glu-4_5Glutamic acidME271644----
Glu-4_6Glutamic acidME271645----
Glu-4_7Glutamic acidME271646----
Glu-4_8Glutamic acidME271647----
Glu-4_9Glutamic acidME271648----
Gly_1GlycineME271649----
GSH_1GlutathioneME271600----
GSH_2GlutathioneME271601----
GSH_3GlutathioneME271602----
GSH+GSSG-3_1GlutathioneME271585----
GSH+GSSG-3_2GlutathioneME271586----
GSH+GSSG-3_3GlutathioneME271587----
GSH+GSSG-3_4GlutathioneME271588----
GSH+GSSG-3_5-ME271589----
GSH+GSSG-4_1GlutathioneME271590----
GSH+GSSG-4_10-ME271591----
GSH+GSSG-4_2GlutathioneME271592----
GSH+GSSG-4_3GlutathioneME271593----
GSH+GSSG-4_4GlutathioneME271594----
GSH+GSSG-4_5GlutathioneME271595----
GSH+GSSG-4_6GlutathioneME271596----
GSH+GSSG-4_7GlutathioneME271597----
GSH+GSSG-4_8GlutathioneME271598----
GSH+GSSG-4_9-ME271599----
Ile_1IsoleucineME271650----
Ile_2IsoleucineME271651----
Itaconate-3_1-ME271652----
Lac13C-A_1Lactic acidME271659----
Lac13C-A_2Lactic acidME271660----
Lac13C-A_3Lactic acidME271661----
Lac13C-A_4Lactic acidME271662----
Lac13C-A_5Lactic acidME271663----
Lac13C-A_6Lactic acidME271664----
Lac13C-B_1Lactic acidME271665----
Lac13C-B_2Lactic acidME271666----
Lac13C-B_3Lactic acidME271667----
Lac13C-B_4Lactic acidME271668----
Lac13C-B_5Lactic acidME271669----
Lac13C-B_6Lactic acidME271670----
Lac-2_1Lactic acidME271653----
Lac-2_2Lactic acidME271654----
Lac-2_3Lactic acidME271655----
Lac-2_4Lactic acidME271656----
Lac-3_1Lactic acidME271657----
Lac-3_2Lactic acidME271658----
Me-His A_1-ME271671----
m-Ins-1,3_1-ME271736----
m-Ins-1,3_2-ME271737----
m-Ins-1,3_3-ME271738----
m-Ins-1,3_4-ME271739----
m-Ins-2?_1-ME271740----
m-Ins-2?_2-ME271741----
m-Ins-2?_3-ME271742----
NAD+-A1'_1-ME271674----
NAD+-A1' 13C-A_1-ME271672----
NAD+-A1' 13C-B_1-ME271673----
NAD+-A1'_2-ME271675----
NAD+-N1'_1-ME271678----
NAD+-N1' 13C-A_1-ME271676----
NAD+-N1' 13C-B_1-ME271677----
NAD+-N1'_2-ME271679----
NAD-N2_1-ME271680----
NAD-N6_1-ME271681----
NAD-N6_2-ME271682----
NADP-N2_1-ME271683----
P-Cho A_1-ME271684----
P-Cho B_1-ME271685----
P-Cho B_2-ME271686----
P-Cho B_3-ME271687----
P-Cho B_4-ME271688----
P-Cho B_5-ME271689----
P-Cho B_6-ME271690----
P-Cho B_7-ME271691----
P-Cho B_8-ME271692----
P-Cho B_9-ME271693----
Phe-2,6_1-ME271694----
Phe-2,6_2-ME271695----
Phe-3,5_1-ME271696----
Phe-3,5_2-ME271697----
Phe-3,5_3-ME271698----
pyruvate-3_1Pyruvic acidME271743----
pyruvate-3_2Pyruvic acidME271744----
Succinate-2,3_1-ME271699----
Tau-1 (SCH2)_1-ME271700----
Tau-1 (SCH2)_2-ME271701----
Tau-1 (SCH2)_3-ME271702----
Tau-2 (NCH2)_1-ME271703----
Tau-2 (NCH2)_2-ME271704----
Tau-2 (NCH2)_3-ME271705----
Tris_1-ME271706----
Trp-4_1TryptophanME271707----
Trp-4_2TryptophanME271708----
Tyr-2,6_1-ME271709----
Tyr-2,6_2-ME271710----
Tyr-3,5_1-ME271711----
Tyr-3,5_2-ME271712----
UXP-1'_1-ME271715----
UXP-1' 13C-A_1-ME271713----
UXP-1' 13C-B_1-ME271714----
UXP-1'_2-ME271716----
UXP-1'_3-ME271717----
UXP-5_1-ME271718----
UXP-5_2-ME271719----
UXP-5_3-ME271720----
UXP-6_1-ME271721----
UXP-6_2-ME271722----
Val-B_1-ME271723----
Val-B_2-ME271724----


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