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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-ME271758----
aGlc_1-ME271926----
aGlc_2-ME271927----
Ala-3_1AlanineME271759----
Ala-3_2AlanineME271760----
Asp-3a_1-ME271761----
Asp-3a_2-ME271762----
Asp-3a_3-ME271763----
Asp-3a_4-ME271764----
Asp-3b_1-ME271765----
Asp-3b_2-ME271766----
Asp-3b_3-ME271767----
Asp-3b_4-ME271768----
AXP-2_1-ME271757----
bGlc_1-ME271933----
bGlc 13C-B_1-ME271928----
bGlc 13C-B_2-ME271929----
bGlc 13C-B_3-ME271930----
bGlc 13C-B_4-ME271931----
bGlc 13C-B_5-ME271932----
bGlc_2-ME271934----
bOH-butyrate_1-ME271935----
bOH-butyrate_2-ME271936----
Creat_1-ME271771----
Creat-P_1-ME271770----
CXP-6_1-ME271769----
Cys-3-GSH_1-ME271772----
Cys-3-GSH_2-ME271773----
Cys-3-GSH_3-ME271774----
Cys-3-GSH_4-ME271775----
Cys-3-GSH_5-ME271776----
Cys-3-GSH_6-ME271777----
Cys-3-GSH_7-ME271778----
DSS_1DapsoneME271779----
For_1-ME271780----
Fum_1Fumaric acidME271781----
Gln-4_1GlutamineME271806----
Gln-4_2GlutamineME271807----
Gln-4_3GlutamineME271808----
Gln-4_4GlutamineME271809----
Gln+Glu-2_1Gln-GluME271798----
Gln+Glu-2_2Gln-GluME271799----
Gln+Glu-2_3Gln-GluME271800----
Gln+Glu-2_4Gln-GluME271801----
Gln+Glu-2_5Gln-GluME271802----
Gln+Glu-2_6Gln-GluME271803----
Gln+Glu-2_7Gln-GluME271804----
Gln+Glu-2_8Gln-GluME271805----
Glu-3-a_1-ME271810----
Glu-3-a_2-ME271811----
Glu-3-a_3-ME271812----
Glu-3-a_4-ME271813----
Glu-3-a_5-ME271814----
Glu-3-a_6-ME271815----
Glu-3-b_1-ME271816----
Glu-3-b_10-ME271817----
Glu-3-b_2-ME271818----
Glu-3-b_3-ME271819----
Glu-3-b_4-ME271820----
Glu-3-b_5-ME271821----
Glu-3-b_6-ME271822----
Glu-3-b_7-ME271823----
Glu-3-b_8-ME271824----
Glu-3-b_9-ME271825----
Glu-4_1Glutamic acidME271826----
Glu-4_2Glutamic acidME271827----
Glu-4_3Glutamic acidME271828----
Glu-4_4Glutamic acidME271829----
Glu-4_5Glutamic acidME271830----
Glu-4_6Glutamic acidME271831----
Glu-4_7Glutamic acidME271832----
Glu-4_8Glutamic acidME271833----
Glu-4_9Glutamic acidME271834----
Gly_1GlycineME271835----
Glyco 13C-B_1-ME271836----
Glyco 13C-B_2-ME271837----
Glyco 13C-B_3-ME271838----
Glyco 13C-B_4-ME271839----
Glycogen_1GlycogenME271840----
Glycogen_2GlycogenME271841----
Glycogen_3GlycogenME271842----
Glycogen_4GlycogenME271843----
Glycogen_5GlycogenME271844----
Glycogen_6GlycogenME271845----
GSH_1GlutathioneME271794----
GSH_2GlutathioneME271795----
GSH_3GlutathioneME271796----
GSH_4GlutathioneME271797----
GSH+GSSG-3_1GlutathioneME271782----
GSH+GSSG-3_2GlutathioneME271783----
GSH+GSSG-3_3GlutathioneME271784----
GSH+GSSG-3_4GlutathioneME271785----
GSH+GSSG-4_1GlutathioneME271786----
GSH+GSSG-4_2GlutathioneME271787----
GSH+GSSG-4_3GlutathioneME271788----
GSH+GSSG-4_4GlutathioneME271789----
GSH+GSSG-4_5GlutathioneME271790----
GSH+GSSG-4_6GlutathioneME271791----
GSH+GSSG-4_7GlutathioneME271792----
GSH+GSSG-4_8GlutathioneME271793----
Ile_1IsoleucineME271846----
Ile_2IsoleucineME271847----
Itaconate-3_1-ME271848----
Lac-2_1Lactic acidME271855----
Lac-2 13C-B_1-ME271849----
Lac-2 13C-B_2-ME271850----
Lac-2 13C-B_3-ME271851----
Lac-2 13C-B_4-ME271852----
Lac-2 13C-B_5-ME271853----
Lac-2 13C-B_6-ME271854----
Lac-2_2Lactic acidME271856----
Lac-2_3Lactic acidME271857----
Lac-2_4Lactic acidME271858----
Lac-3_1Lactic acidME271859----
Lac-3_2Lactic acidME271860----
Me-His A_1-ME271861----
Me-His B_1-ME271862----
Met-CH3_1-ME271863----
m-Ins-1,3_1-ME271937----
m-Ins-1,3_2-ME271938----
m-Ins-1,3_3-ME271939----
m-Ins-1,3_4-ME271940----
m-Ins-2?_1-ME271941----
m-Ins-2?_2-ME271942----
m-Ins-2?_3-ME271943----
NAD+-A1'_1-ME271865----
NAD+-A1' 13C-A_1-ME271864----
NAD+-A1'_2-ME271866----
NAD+-N1'_1-ME271867----
NAD+-N1'_2-ME271868----
NAD-N2_1-ME271869----
NAD-N6_1-ME271870----
NAD-N6_2-ME271871----
NADP-N2_1-ME271872----
P-Cho A_1-ME271873----
P-Cho B_1-ME271874----
P-Cho B_2-ME271875----
P-Cho B_3-ME271876----
P-Cho B_4-ME271877----
P-Cho B_5-ME271878----
P-Cho B_6-ME271879----
P-Cho B_7-ME271880----
P-Cho B_8-ME271881----
P-Cho B_9-ME271882----
Phe-2,6_1-ME271883----
Phe-2,6_2-ME271884----
Phe-3,5_1-ME271885----
Phe-3,5_2-ME271886----
Phe-3,5_3-ME271887----
Pro-4A_1-ME271888----
Pro-4A_2-ME271889----
Pro-4A_3-ME271890----
Pro-4A_4-ME271891----
Pro-4A_5-ME271892----
Ser-3_1SerineME271893----
Ser-3_2-ME271894----
Ser-3_3-ME271895----
Ser-3_4-ME271896----
Succinate-2,3_1-ME271897----
Tau-1 (SCH2)_1-ME271898----
Tau-1 (SCH2)_2-ME271899----
Tau-1 (SCH2)_3-ME271900----
Tau-2 (NCH2)_1-ME271901----
Tau-2 (NCH2)_2-ME271902----
Tau-2 (NCH2)_3-ME271903----
Tris_1-ME271904----
Trp-4_1TryptophanME271905----
Trp-4_2TryptophanME271906----
Tyr-2,6_1-ME271907----
Tyr-2,6_2-ME271908----
Tyr-3,5_1-ME271909----
Tyr-3,5_2-ME271910----
UDP-GlcNAc-G1_1-ME271911----
UDP-GlcNAc-G1_2-ME271912----
UDP-GlcNAc-G1_3-ME271913----
UDP-GlcNAc-G1_4-ME271914----
UXP-1'_1-ME271915----
UXP-1'_2-ME271916----
UXP-1'_3-ME271917----
UXP-5_1-ME271918----
UXP-5_2-ME271919----
UXP-6_1-ME271922----
UXP-6 13C-A_1-ME271920----
UXP-6 13C-A_2-ME271921----
UXP-6_2-ME271923----
Val-B_1-ME271924----
Val-B_2-ME271925----


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