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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-CoAME824745444493C000248.0807808.1188
Acetyl-CoA C13-label-1Acetyl-CoAME824746444493C000248.082333809.1214
Acetyl-CoA C13-label-10Acetyl-CoAME824755444493C00024--
Acetyl-CoA C13-label-11Acetyl-CoAME824756444493C00024--
Acetyl-CoA C13-label-12Acetyl-CoAME824757444493C00024--
Acetyl-CoA C13-label-13Acetyl-CoAME824758444493C000248.1447821.1583
Acetyl-CoA C13-label-14Acetyl-CoAME824759444493C00024--
Acetyl-CoA C13-label-15Acetyl-CoAME824760444493C00024--
Acetyl-CoA C13-label-16Acetyl-CoAME824761444493C00024--
Acetyl-CoA C13-label-17Acetyl-CoAME824762444493C00024--
Acetyl-CoA C13-label-18Acetyl-CoAME824763444493C00024--
Acetyl-CoA C13-label-19Acetyl-CoAME824764444493C00024--
Acetyl-CoA C13-label-2Acetyl-CoAME824747444493C000248.087103810.123
Acetyl-CoA C13-label-20Acetyl-CoAME824765444493C00024--
Acetyl-CoA C13-label-21Acetyl-CoAME824766444493C00024--
Acetyl-CoA C13-label-22Acetyl-CoAME824767444493C00024--
Acetyl-CoA C13-label-23Acetyl-CoAME824768444493C00024--
Acetyl-CoA C13-label-3Acetyl-CoAME824748444493C000248.096434811.1272
Acetyl-CoA C13-label-4Acetyl-CoAME824749444493C00024--
Acetyl-CoA C13-label-5Acetyl-CoAME824750444493C00024--
Acetyl-CoA C13-label-6Acetyl-CoAME824751444493C00024--
Acetyl-CoA C13-label-7Acetyl-CoAME824752444493C00024--
Acetyl-CoA C13-label-8Acetyl-CoAME824753444493C00024--
Acetyl-CoA C13-label-9Acetyl-CoAME824754444493C00024--
Citrate C12 PARENTCitric acidME824769311C0015810.71224191.0195
Citrate C13-label-1Citric acidME824770311C0015810.7147192.0226
Citrate C13-label-2Citric acidME824771311C0015810.67262193.0262
Citrate C13-label-3Citric acidME824772311C0015810.68299194.0294
Citrate C13-label-4Citric acidME824773311C0015810.67679195.0327
Citrate C13-label-5Citric acidME824774311C0015810.68454196.0359
Citrate C13-label-6Citric acidME824775311C00158--
Dihydroxyacetone phosphate (DHAP) C12 PARENTDihydroxyacetone phosphateME824785668C001119.54091168.9905
Dihydroxyacetone phosphate (DHAP) C13-label-1Dihydroxyacetone phosphateME824786668C001119.537518169.9938
Dihydroxyacetone phosphate (DHAP) C13-label-2Dihydroxyacetone phosphateME824787668C001119.522561170.9969
Dihydroxyacetone phosphate (DHAP) C13-label-3Dihydroxyacetone phosphateME824788668C001119.537522172.0005
D-Sedoheptulose 7-phosphate C12 PARENTD-Sedoheptulose 7-phosphateME824789165007C0538210.01168289.0326
D-Sedoheptulose 7-phosphate C13-label-1D-Sedoheptulose 7-phosphateME824790165007C0538210.01735290.0359
D-Sedoheptulose 7-phosphate C13-label-2D-Sedoheptulose 7-phosphateME824791165007C0538210.01087291.0389
D-Sedoheptulose 7-phosphate C13-label-3D-Sedoheptulose 7-phosphateME824792165007C0538210.00945292.0427
D-Sedoheptulose 7-phosphate C13-label-4D-Sedoheptulose 7-phosphateME824793165007C0538210.01733293.046
D-Sedoheptulose 7-phosphate C13-label-5D-Sedoheptulose 7-phosphateME824794165007C0538210.01958294.0494
D-Sedoheptulose 7-phosphate C13-label-6D-Sedoheptulose 7-phosphateME824795165007C0538210.00315295.0526
D-Sedoheptulose 7-phosphate C13-label-7D-Sedoheptulose 7-phosphateME824796165007C0538210.0382296.0556
Glycerol 3-phosphate C12 PARENTsn-Glycero-3-phosphateME824781439162C000939.350879171.0062
Glycerol 3-phosphate C13-label-1sn-Glycero-3-phosphateME824782439162C000939.348742172.0096
Glycerol 3-phosphate C13-label-2sn-Glycero-3-phosphateME824783439162C000939.36029173.013
Glycerol 3-phosphate C13-label-3sn-Glycero-3-phosphateME824784439162C000939.357393174.0163
Lactate C12 PARENTLactic acidME824737107689C001864.62422389.02434
Lactate C13-label-1Lactic acidME824738107689C001864.61427190.02765
Lactate C13-label-2Lactic acidME824739107689C001864.55401791.03088
Lactate C13-label-3Lactic acidME824740107689C001864.61071792.03435
Malate C12 PARENTMalic acidME824797222656C001499.885712133.014
Malate C13-label-1Malic acidME824798222656C001499.888937134.0174
Malate C13-label-2Malic acidME824799222656C001499.88649135.0208
Malate C13-label-3Malic acidME824800222656C001499.882583136.024
Malate C13-label-4Malic acidME824801222656C001499.843167137.0273
Pyruvate C12 PARENTPyruvic acidME8247411060C000223.1742587.00868
Pyruvate C13-label-1Pyruvic acidME8247421060C000223.18712988.01204
Pyruvate C13-label-2Pyruvic acidME8247431060C000223.22219889.01542
Pyruvate C13-label-3Pyruvic acidME8247441060C000223.24041890.01871
Succinate C12 PARENTSuccinic acidME8247761110C000429.439565117.0191
Succinate C13-label-1Succinic acidME8247771110C000429.451841118.0225
Succinate C13-label-2Succinic acidME8247781110C000429.461269119.0257
Succinate C13-label-3Succinic acidME8247791110C000429.463387120.0292
Succinate C13-label-4Succinic acidME8247801110C00042--


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-CoAME824802444493C000248.079143810.1327
Acetyl-CoA C13-label-1Acetyl-CoAME824803444493C000248.083757811.1354
Acetyl-CoA C13-label-10Acetyl-CoAME824812444493C00024--
Acetyl-CoA C13-label-11Acetyl-CoAME824813444493C000248.2184821.1707
Acetyl-CoA C13-label-12Acetyl-CoAME824814444493C000248.089258822.1719
Acetyl-CoA C13-label-13Acetyl-CoAME824815444493C000248.147017823.176
Acetyl-CoA C13-label-14Acetyl-CoAME824816444493C00024--
Acetyl-CoA C13-label-15Acetyl-CoAME824817444493C00024--
Acetyl-CoA C13-label-16Acetyl-CoAME824818444493C00024--
Acetyl-CoA C13-label-17Acetyl-CoAME824819444493C00024--
Acetyl-CoA C13-label-18Acetyl-CoAME824820444493C000248.005217828.1924
Acetyl-CoA C13-label-19Acetyl-CoAME824821444493C00024--
Acetyl-CoA C13-label-2Acetyl-CoAME824804444493C000248.098002812.1372
Acetyl-CoA C13-label-20Acetyl-CoAME824822444493C00024--
Acetyl-CoA C13-label-21Acetyl-CoAME824823444493C00024--
Acetyl-CoA C13-label-22Acetyl-CoAME824824444493C00024--
Acetyl-CoA C13-label-23Acetyl-CoAME824825444493C00024--
Acetyl-CoA C13-label-3Acetyl-CoAME824805444493C000248.099983813.1405
Acetyl-CoA C13-label-4Acetyl-CoAME824806444493C00024--
Acetyl-CoA C13-label-5Acetyl-CoAME824807444493C00024--
Acetyl-CoA C13-label-6Acetyl-CoAME824808444493C000248.145617816.1545
Acetyl-CoA C13-label-7Acetyl-CoAME824809444493C000248.019383817.1552
Acetyl-CoA C13-label-8Acetyl-CoAME824810444493C000248.212826818.1617
Acetyl-CoA C13-label-9Acetyl-CoAME824811444493C00024--
Dimethyl sulfoxide (DMSO) C12 PARENT-ME824826679C111432.54091179.02119
Dimethyl sulfoxide (DMSO) C13-label-1-ME824827679C111432.44763180.02449
Dimethyl sulfoxide (DMSO) C13-label-2-ME824828679C111432.47163881.02775
Fasnall C12 PARENT-ME82482916230362NA1.579835339.1633
Fasnall C13-label-1-ME82483016230362NA1.577026340.1667
Fasnall C13-label-10-ME82483916230362NA1.616105349.1982
Fasnall C13-label-11-ME82484016230362NA1.796783350.2018
Fasnall C13-label-12-ME82484116230362NA--
Fasnall C13-label-13-ME82484216230362NA--
Fasnall C13-label-14-ME82484316230362NA1.644285353.2097
Fasnall C13-label-15-ME82484416230362NA--
Fasnall C13-label-16-ME82484516230362NA--
Fasnall C13-label-17-ME82484616230362NA--
Fasnall C13-label-18-ME82484716230362NA--
Fasnall C13-label-19-ME82484816230362NA--
Fasnall C13-label-2-ME82483116230362NA1.574856341.17
Fasnall C13-label-3-ME82483216230362NA1.62751342.1742
Fasnall C13-label-4-ME82483316230362NA--
Fasnall C13-label-5-ME82483416230362NA--
Fasnall C13-label-6-ME82483516230362NA--
Fasnall C13-label-7-ME82483616230362NA--
Fasnall C13-label-8-ME82483716230362NA--
Fasnall C13-label-9-ME82483816230362NA--
Myristoyl-L-carnitine C12 PARENTCAR 14:0ME82484953477791NA1.741611372.3103
Myristoyl-L-carnitine C13-label-1CAR 14:0ME82485053477791NA1.73831373.3138
Myristoyl-L-carnitine C13-label-10CAR 14:0ME82485953477791NA--
Myristoyl-L-carnitine C13-label-11CAR 14:0ME82486053477791NA--
Myristoyl-L-carnitine C13-label-12CAR 14:0ME82486153477791NA--
Myristoyl-L-carnitine C13-label-13CAR 14:0ME82486253477791NA--
Myristoyl-L-carnitine C13-label-14CAR 14:0ME82486353477791NA--
Myristoyl-L-carnitine C13-label-15CAR 14:0ME82486453477791NA1.774794387.3603
Myristoyl-L-carnitine C13-label-16CAR 14:0ME82486553477791NA--
Myristoyl-L-carnitine C13-label-17CAR 14:0ME82486653477791NA--
Myristoyl-L-carnitine C13-label-18CAR 14:0ME82486753477791NA--
Myristoyl-L-carnitine C13-label-19CAR 14:0ME82486853477791NA--
Myristoyl-L-carnitine C13-label-2CAR 14:0ME82485153477791NA1.738097374.3169
Myristoyl-L-carnitine C13-label-20CAR 14:0ME82486953477791NA--
Myristoyl-L-carnitine C13-label-21CAR 14:0ME82487053477791NA--
Myristoyl-L-carnitine C13-label-3CAR 14:0ME82485253477791NA1.746872375.3205
Myristoyl-L-carnitine C13-label-4CAR 14:0ME82485353477791NA1.739996376.3236
Myristoyl-L-carnitine C13-label-5CAR 14:0ME82485453477791NA1.753668377.3272
Myristoyl-L-carnitine C13-label-6CAR 14:0ME82485553477791NA1.725926378.3304
Myristoyl-L-carnitine C13-label-7CAR 14:0ME82485653477791NA1.751529379.3342
Myristoyl-L-carnitine C13-label-8CAR 14:0ME82485753477791NA1.730362380.3371
Myristoyl-L-carnitine C13-label-9CAR 14:0ME82485853477791NA--


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