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Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Acetyl-CoA C12 PARENTAcetyl-CoAME823760444493C000248.228556808.1192
Acetyl-CoA C13-label-1Acetyl-CoAME823761444493C000248.253796809.1213
Acetyl-CoA C13-label-10Acetyl-CoAME823770444493C00024--
Acetyl-CoA C13-label-11Acetyl-CoAME823771444493C00024--
Acetyl-CoA C13-label-12Acetyl-CoAME823772444493C00024--
Acetyl-CoA C13-label-13Acetyl-CoAME823773444493C00024--
Acetyl-CoA C13-label-14Acetyl-CoAME823774444493C00024--
Acetyl-CoA C13-label-15Acetyl-CoAME823775444493C00024--
Acetyl-CoA C13-label-16Acetyl-CoAME823776444493C00024--
Acetyl-CoA C13-label-17Acetyl-CoAME823777444493C00024--
Acetyl-CoA C13-label-18Acetyl-CoAME823778444493C00024--
Acetyl-CoA C13-label-19Acetyl-CoAME823779444493C00024--
Acetyl-CoA C13-label-2Acetyl-CoAME823762444493C000248.244634810.1243
Acetyl-CoA C13-label-20Acetyl-CoAME823780444493C00024--
Acetyl-CoA C13-label-21Acetyl-CoAME823781444493C00024--
Acetyl-CoA C13-label-22Acetyl-CoAME823782444493C00024--
Acetyl-CoA C13-label-23Acetyl-CoAME823783444493C00024--
Acetyl-CoA C13-label-3Acetyl-CoAME823763444493C000248.264252811.1272
Acetyl-CoA C13-label-4Acetyl-CoAME823764444493C000248.252136812.1301
Acetyl-CoA C13-label-5Acetyl-CoAME823765444493C00024--
Acetyl-CoA C13-label-6Acetyl-CoAME823766444493C00024--
Acetyl-CoA C13-label-7Acetyl-CoAME823767444493C00024--
Acetyl-CoA C13-label-8Acetyl-CoAME823768444493C00024--
Acetyl-CoA C13-label-9Acetyl-CoAME823769444493C00024--
alpha-Ketoglutaric acid C12 PARENT2-Oxoglutaric acidME82379151C000269.830396145.0142
alpha-Ketoglutaric acid C13-label-12-Oxoglutaric acidME82379251C000269.835419146.0176
alpha-Ketoglutaric acid C13-label-22-Oxoglutaric acidME82379351C000269.826958147.0209
alpha-Ketoglutaric acid C13-label-32-Oxoglutaric acidME82379451C000269.84732148.0244
alpha-Ketoglutaric acid C13-label-42-Oxoglutaric acidME82379551C00026--
alpha-Ketoglutaric acid C13-label-52-Oxoglutaric acidME82379651C000269.851441150.0316
Citrate C12 PARENTCitric acidME823784311C0015811.00825191.0197
Citrate C13-label-1Citric acidME823785311C0015811.00965192.023
Citrate C13-label-2Citric acidME823786311C0015811.00648193.0263
Citrate C13-label-3Citric acidME823787311C0015811.01685194.0297
Citrate C13-label-4Citric acidME823788311C0015811.00274195.0328
Citrate C13-label-5Citric acidME823789311C0015811.00976196.0364
Citrate C13-label-6Citric acidME823790311C00158--
L-Aspartic acid C12 PARENTAspartic acidME8238075960C00049.575432132.0302
L-Aspartic acid C13-label-1Aspartic acidME8238085960C00049.564569133.0335
L-Aspartic acid C13-label-2Aspartic acidME8238095960C00049.562537134.0371
L-Aspartic acid C13-label-3Aspartic acidME8238105960C00049.572783135.0405
L-Aspartic acid C13-label-4Aspartic acidME8238115960C00049.578674136.0442
Malate C12 PARENTMalic acidME823802222656C0014910.12774133.0142
Malate C13-label-1Malic acidME823803222656C0014910.13109134.0175
Malate C13-label-2Malic acidME823804222656C0014910.12268135.0211
Malate C13-label-3Malic acidME823805222656C0014910.11847136.0243
Malate C13-label-4Malic acidME823806222656C0014910.09459137.0279
Myristic acid C12 PARENTMyristic acidME82382911005C064241.371463227.2016
Myristic acid C13-label-1Myristic acidME82383011005C064241.386577228.2048
Myristic acid C13-label-10Myristic acidME82383911005C064241.387419237.2352
Myristic acid C13-label-11Myristic acidME82384011005C064241.376315238.2383
Myristic acid C13-label-12Myristic acidME82384111005C064241.383951239.2418
Myristic acid C13-label-13Myristic acidME82384211005C064241.393341240.2455
Myristic acid C13-label-14Myristic acidME82384311005C064241.428358241.2484
Myristic acid C13-label-2Myristic acidME82383111005C064241.376782229.2082
Myristic acid C13-label-3Myristic acidME82383211005C064241.384542230.2118
Myristic acid C13-label-4Myristic acidME82383311005C064241.371615231.215
Myristic acid C13-label-5Myristic acidME82383411005C064241.397231232.2185
Myristic acid C13-label-6Myristic acidME82383511005C064241.368551233.2216
Myristic acid C13-label-7Myristic acidME82383611005C064241.371328234.2251
Myristic acid C13-label-8Myristic acidME82383711005C064241.365228235.2283
Myristic acid C13-label-9Myristic acidME82383811005C064241.422878236.2323
Palmitic acid C12 PARENTPalmitic acidME823812985C002491.339877255.2329
Palmitic acid C13-label-1Palmitic acidME823813985C002491.339877256.2363
Palmitic acid C13-label-10Palmitic acidME823822985C002491.339848265.2664
Palmitic acid C13-label-11Palmitic acidME823823985C002491.336688266.2697
Palmitic acid C13-label-12Palmitic acidME823824985C002491.364719267.273
Palmitic acid C13-label-13Palmitic acidME823825985C002491.336975268.2766
Palmitic acid C13-label-14Palmitic acidME823826985C002491.345827269.2797
Palmitic acid C13-label-15Palmitic acidME823827985C002491.344468270.283
Palmitic acid C13-label-16Palmitic acidME823828985C002491.33034271.2866
Palmitic acid C13-label-2Palmitic acidME823814985C002491.341462257.2393
Palmitic acid C13-label-3Palmitic acidME823815985C002491.347659258.2424
Palmitic acid C13-label-4Palmitic acidME823816985C002491.336807259.2462
Palmitic acid C13-label-5Palmitic acidME823817985C002491.346431260.2498
Palmitic acid C13-label-6Palmitic acidME823818985C002491.333683261.2529
Palmitic acid C13-label-7Palmitic acidME823819985C002491.352558262.2566
Palmitic acid C13-label-8Palmitic acidME823820985C002491.33032263.2597
Palmitic acid C13-label-9Palmitic acidME823821985C002491.343081264.2633
Palmitoleic acid C12 PARENTPalmitoleic acidME823844445638C083621.363024253.2173
Palmitoleic acid C13-label-1Palmitoleic acidME823845445638C083621.344916254.2207
Palmitoleic acid C13-label-10Palmitoleic acidME823854445638C083621.343238263.2505
Palmitoleic acid C13-label-11Palmitoleic acidME823855445638C083621.368292264.2533
Palmitoleic acid C13-label-12Palmitoleic acidME823856445638C083621.346535265.257
Palmitoleic acid C13-label-13Palmitoleic acidME823857445638C083621.335138266.2609
Palmitoleic acid C13-label-14Palmitoleic acidME823858445638C083621.381363267.2639
Palmitoleic acid C13-label-15Palmitoleic acidME823859445638C083621.469797268.2673
Palmitoleic acid C13-label-16Palmitoleic acidME823860445638C083621.35712269.2706
Palmitoleic acid C13-label-2Palmitoleic acidME823846445638C08362--
Palmitoleic acid C13-label-3Palmitoleic acidME823847445638C08362--
Palmitoleic acid C13-label-4Palmitoleic acidME823848445638C083621.330609257.2305
Palmitoleic acid C13-label-5Palmitoleic acidME823849445638C083621.394058258.2333
Palmitoleic acid C13-label-6Palmitoleic acidME823850445638C083621.339797259.2371
Palmitoleic acid C13-label-7Palmitoleic acidME823851445638C083621.375131260.2401
Palmitoleic acid C13-label-8Palmitoleic acidME823852445638C083621.346047261.2438
Palmitoleic acid C13-label-9Palmitoleic acidME823853445638C083621.361002262.2469
Succinate C12 PARENTSuccinic acidME8237971110C000429.777125117.0193
Succinate C13-label-1Succinic acidME8237981110C000429.769395118.0227
Succinate C13-label-2Succinic acidME8237991110C000429.78619119.0259
Succinate C13-label-3Succinic acidME8238001110C000429.728387120.0293
Succinate C13-label-4Succinic acidME8238011110C00042--


Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Acetyl-CoA C12 PARENTAcetyl-CoAME823861444493C000248.264252810.1323
Acetyl-CoA C13-label-1Acetyl-CoAME823862444493C000248.264318811.1351
Acetyl-CoA C13-label-10Acetyl-CoAME823871444493C00024--
Acetyl-CoA C13-label-11Acetyl-CoAME823872444493C00024--
Acetyl-CoA C13-label-12Acetyl-CoAME823873444493C00024--
Acetyl-CoA C13-label-13Acetyl-CoAME823874444493C00024--
Acetyl-CoA C13-label-14Acetyl-CoAME823875444493C000248.241442824.1783
Acetyl-CoA C13-label-15Acetyl-CoAME823876444493C00024--
Acetyl-CoA C13-label-16Acetyl-CoAME823877444493C00024--
Acetyl-CoA C13-label-17Acetyl-CoAME823878444493C00024--
Acetyl-CoA C13-label-18Acetyl-CoAME823879444493C00024--
Acetyl-CoA C13-label-19Acetyl-CoAME823880444493C00024--
Acetyl-CoA C13-label-2Acetyl-CoAME823863444493C000248.282574812.1376
Acetyl-CoA C13-label-20Acetyl-CoAME823881444493C00024--
Acetyl-CoA C13-label-21Acetyl-CoAME823882444493C00024--
Acetyl-CoA C13-label-22Acetyl-CoAME823883444493C00024--
Acetyl-CoA C13-label-23Acetyl-CoAME823884444493C00024--
Acetyl-CoA C13-label-3Acetyl-CoAME823864444493C000248.284739813.1407
Acetyl-CoA C13-label-4Acetyl-CoAME823865444493C000248.28975814.1436
Acetyl-CoA C13-label-5Acetyl-CoAME823866444493C000248.273425815.1458
Acetyl-CoA C13-label-6Acetyl-CoAME823867444493C00024--
Acetyl-CoA C13-label-7Acetyl-CoAME823868444493C000248.3211817.1536
Acetyl-CoA C13-label-8Acetyl-CoAME823869444493C00024--
Acetyl-CoA C13-label-9Acetyl-CoAME823870444493C00024--
Fasnall C12 PARENT-ME82388516230362NA1.678357339.1631
Fasnall C13-label-1-ME82388616230362NA1.701267340.1664
Fasnall C13-label-10-ME82389516230362NA--
Fasnall C13-label-11-ME82389616230362NA--
Fasnall C13-label-12-ME82389716230362NA--
Fasnall C13-label-13-ME82389816230362NA--
Fasnall C13-label-14-ME82389916230362NA--
Fasnall C13-label-15-ME82390016230362NA--
Fasnall C13-label-16-ME82390116230362NA--
Fasnall C13-label-17-ME82390216230362NA--
Fasnall C13-label-18-ME82390316230362NA--
Fasnall C13-label-19-ME82390416230362NA--
Fasnall C13-label-2-ME82388716230362NA1.658297341.1711
Fasnall C13-label-3-ME82388816230362NA1.723833342.1743
Fasnall C13-label-4-ME82388916230362NA--
Fasnall C13-label-5-ME82389016230362NA--
Fasnall C13-label-6-ME82389116230362NA1.573583345.1847
Fasnall C13-label-7-ME82389216230362NA1.701867346.1877
Fasnall C13-label-8-ME82389316230362NA--
Fasnall C13-label-9-ME82389416230362NA--
GSK2194069 C12 PARENT-ME82390567376285NA1.684213429.1911
GSK2194069 C13-label-1-ME82390667376285NA1.65017430.1946
GSK2194069 C13-label-10-ME82391567376285NA--
GSK2194069 C13-label-11-ME82391667376285NA--
GSK2194069 C13-label-12-ME82391767376285NA--
GSK2194069 C13-label-13-ME82391867376285NA--
GSK2194069 C13-label-14-ME82391967376285NA--
GSK2194069 C13-label-15-ME82392067376285NA--
GSK2194069 C13-label-16-ME82392167376285NA--
GSK2194069 C13-label-17-ME82392267376285NA--
GSK2194069 C13-label-18-ME82392367376285NA--
GSK2194069 C13-label-19-ME82392467376285NA--
GSK2194069 C13-label-2-ME82390767376285NA1.65017431.1976
GSK2194069 C13-label-20-ME82392567376285NA--
GSK2194069 C13-label-21-ME82392667376285NA--
GSK2194069 C13-label-22-ME82392767376285NA--
GSK2194069 C13-label-23-ME82392867376285NA--
GSK2194069 C13-label-24-ME82392967376285NA--
GSK2194069 C13-label-25-ME82393067376285NA--
GSK2194069 C13-label-3-ME82390867376285NA1.656594432.2006
GSK2194069 C13-label-4-ME82390967376285NA--
GSK2194069 C13-label-5-ME82391067376285NA--
GSK2194069 C13-label-6-ME82391167376285NA--
GSK2194069 C13-label-7-ME82391267376285NA--
GSK2194069 C13-label-8-ME82391367376285NA--
GSK2194069 C13-label-9-ME82391467376285NA--
L-Carnitine C12 PARENTCarnitineME82394110917C003187.897175162.1124
L-Carnitine C13-label-1CarnitineME82394210917C003187.906517163.1158
L-Carnitine C13-label-2CarnitineME82394310917C00318--
L-Carnitine C13-label-3CarnitineME82394410917C00318--
L-Carnitine C13-label-4CarnitineME82394510917C00318--
L-Carnitine C13-label-5CarnitineME82394610917C00318--
L-Carnitine C13-label-6CarnitineME82394710917C00318--
L-Carnitine C13-label-7CarnitineME82394810917C00318--
Myristoyl-L-carnitine C12 PARENTCAR 14:0ME82397353477791NA1.811613372.3102
Myristoyl-L-carnitine C13-label-1CAR 14:0ME82397453477791NA1.815706373.3137
Myristoyl-L-carnitine C13-label-10CAR 14:0ME82398353477791NA1.828425382.344
Myristoyl-L-carnitine C13-label-11CAR 14:0ME82398453477791NA1.802525383.3481
Myristoyl-L-carnitine C13-label-12CAR 14:0ME82398553477791NA1.806289384.3501
Myristoyl-L-carnitine C13-label-13CAR 14:0ME82398653477791NA--
Myristoyl-L-carnitine C13-label-14CAR 14:0ME82398753477791NA1.808983386.3571
Myristoyl-L-carnitine C13-label-15CAR 14:0ME82398853477791NA--
Myristoyl-L-carnitine C13-label-16CAR 14:0ME82398953477791NA--
Myristoyl-L-carnitine C13-label-17CAR 14:0ME82399053477791NA--
Myristoyl-L-carnitine C13-label-18CAR 14:0ME82399153477791NA--
Myristoyl-L-carnitine C13-label-19CAR 14:0ME82399253477791NA--
Myristoyl-L-carnitine C13-label-2CAR 14:0ME82397553477791NA1.815631374.3171
Myristoyl-L-carnitine C13-label-20CAR 14:0ME82399353477791NA--
Myristoyl-L-carnitine C13-label-21CAR 14:0ME82399453477791NA--
Myristoyl-L-carnitine C13-label-3CAR 14:0ME82397653477791NA1.811353375.3202
Myristoyl-L-carnitine C13-label-4CAR 14:0ME82397753477791NA1.799856376.3235
Myristoyl-L-carnitine C13-label-5CAR 14:0ME82397853477791NA1.820578377.3264
Myristoyl-L-carnitine C13-label-6CAR 14:0ME82397953477791NA1.81275378.3306
Myristoyl-L-carnitine C13-label-7CAR 14:0ME82398053477791NA1.797006379.3344
Myristoyl-L-carnitine C13-label-8CAR 14:0ME82398153477791NA1.822125380.3367
Myristoyl-L-carnitine C13-label-9CAR 14:0ME82398253477791NA1.822008381.3404
O-Acetyl-L-carnitine C12 PARENTCAR 2:0ME8239317045767C025716.304233204.1229
O-Acetyl-L-carnitine C13-label-1CAR 2:0ME8239327045767C025716.308872205.1259
O-Acetyl-L-carnitine C13-label-2CAR 2:0ME8239337045767C025716.296321206.1294
O-Acetyl-L-carnitine C13-label-3CAR 2:0ME8239347045767C025716.300106207.1328
O-Acetyl-L-carnitine C13-label-4CAR 2:0ME8239357045767C02571--
O-Acetyl-L-carnitine C13-label-5CAR 2:0ME8239367045767C025716.25845209.1394
O-Acetyl-L-carnitine C13-label-6CAR 2:0ME8239377045767C02571--
O-Acetyl-L-carnitine C13-label-7CAR 2:0ME8239387045767C02571--
O-Acetyl-L-carnitine C13-label-8CAR 2:0ME8239397045767C02571--
O-Acetyl-L-carnitine C13-label-9CAR 2:0ME8239407045767C02571--
Palmitoyl-L-carnitine C12 PARENTCAR 16:0ME82394911953816C029901.718306400.3422
Palmitoyl-L-carnitine C13-label-1CAR 16:0ME82395011953816C02990--
Palmitoyl-L-carnitine C13-label-10CAR 16:0ME82395911953816C029901.742961410.3751
Palmitoyl-L-carnitine C13-label-11CAR 16:0ME82396011953816C029901.707467411.3792
Palmitoyl-L-carnitine C13-label-12CAR 16:0ME82396111953816C029901.712608412.3818
Palmitoyl-L-carnitine C13-label-13CAR 16:0ME82396211953816C029901.775325413.3849
Palmitoyl-L-carnitine C13-label-14CAR 16:0ME82396311953816C029901.707227414.3881
Palmitoyl-L-carnitine C13-label-15CAR 16:0ME82396411953816C029901.738667415.3915
Palmitoyl-L-carnitine C13-label-16CAR 16:0ME82396511953816C029901.713333416.3953
Palmitoyl-L-carnitine C13-label-17CAR 16:0ME82396611953816C02990--
Palmitoyl-L-carnitine C13-label-18CAR 16:0ME82396711953816C02990--
Palmitoyl-L-carnitine C13-label-19CAR 16:0ME82396811953816C02990--
Palmitoyl-L-carnitine C13-label-2CAR 16:0ME82395111953816C029901.716446402.3474
Palmitoyl-L-carnitine C13-label-20CAR 16:0ME82396911953816C02990--
Palmitoyl-L-carnitine C13-label-21CAR 16:0ME82397011953816C02990--
Palmitoyl-L-carnitine C13-label-22CAR 16:0ME82397111953816C02990--
Palmitoyl-L-carnitine C13-label-23CAR 16:0ME82397211953816C02990--
Palmitoyl-L-carnitine C13-label-3CAR 16:0ME82395211953816C029901.70899403.3514
Palmitoyl-L-carnitine C13-label-4CAR 16:0ME82395311953816C029901.720637404.3551
Palmitoyl-L-carnitine C13-label-5CAR 16:0ME82395411953816C029901.733581405.3579
Palmitoyl-L-carnitine C13-label-6CAR 16:0ME82395511953816C029901.7332406.3619
Palmitoyl-L-carnitine C13-label-7CAR 16:0ME82395611953816C029901.701859407.3648
Palmitoyl-L-carnitine C13-label-8CAR 16:0ME82395711953816C029901.710953408.3682
Palmitoyl-L-carnitine C13-label-9CAR 16:0ME82395811953816C029901.678883409.3712


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