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Analysis: ESI negative ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
2 or 3-phosphoglycerate_13C_1Phosphoglyceric acidME696292724C00597--
2 or 3-phosphoglycerate_13C_2Phosphoglyceric acidME696293724C00597--
2 or 3-phosphoglycerate_13C_3Phosphoglyceric acidME696294724C00597--
2 or 3-phosphoglycerate_2PG/3PGPhosphoglyceric acidME696291724C00597--
3-Glycerophosphate3-Phosphoglyceric acidME696357754---
3-Glycerophosphate_13C_13-Phosphoglyceric acidME696358754---
3-Glycerophosphate_13C_23-Phosphoglyceric acidME696359754---
3-Glycerophosphate_13C_33-Phosphoglyceric acidME696360754---
3-phosphoglyceraldehydeGlyceraldehyde 3-phosphateME696346439168C00118--
3-phosphoglyceraldehyde_13C_1Glyceraldehyde 3-phosphateME696347439168C00118--
3-phosphoglyceraldehyde_13C_2Glyceraldehyde 3-phosphateME696348439168C00118--
3-phosphoglyceraldehyde_13C_3Glyceraldehyde 3-phosphateME696349439168C00118--
6-Phosphogluconate6-Phosphogluconic acidME69629591493C00345--
6-Phosphogluconate_13C_16-Phosphogluconic acidME69629691493C00345--
6-Phosphogluconate_13C_26-Phosphogluconic acidME69629791493C00345--
6-Phosphogluconate_13C_36-Phosphogluconic acidME69629891493C00345--
6-Phosphogluconate_13C_46-Phosphogluconic acidME69629991493C00345--
6-Phosphogluconate_13C_56-Phosphogluconic acidME69630091493C00345--
6-Phosphogluconate_13C_66-Phosphogluconic acidME69630191493C00345--
Acetyl-CoAAcetyl-CoAME696302444493C00024--
Acetyl-CoA_13C_1Acetyl-CoAME696303444493C00024--
Acetyl-CoA_13C_2Acetyl-CoAME696304444493C00024--
Adenosine diphosphateADPME6963056022C00008--
Adenosine diphosphate_13C_1ADPME6963066022C00008--
Adenosine diphosphate_13C_2ADPME6963076022C00008--
Adenosine diphosphate_13C_3ADPME6963086022C00008--
Adenosine diphosphate_13C_4ADPME6963096022C00008--
Adenosine diphosphate_13C_5ADPME6963106022C00008--
Adenosine monophosphateAMPME6963116083C00020--
Adenosine monophosphate_13C_1AMPME6963126083C00020--
Adenosine monophosphate_13C_2AMPME6963136083C00020--
Adenosine monophosphate_13C_3AMPME6963146083C00020--
Adenosine monophosphate_13C_4AMPME6963156083C00020--
Adenosine monophosphate_13C_5AMPME6963166083C00020--
Adenosine triphosphateATPME6963225957C00002--
Adenosine triphosphate_13C_1ATPME6963235957C00002--
Adenosine triphosphate_13C_2ATPME6963245957C00002--
Adenosine triphosphate_13C_3ATPME6963255957C00002--
Adenosine triphosphate_13C_4ATPME6963265957C00002--
Adenosine triphosphate_13C_5ATPME6963275957C00002--
AspartateAspartic acidME6963175960C00049--
Aspartate_13C_1Aspartic acidME6963185960C00049--
Aspartate_13C_2Aspartic acidME6963195960C00049--
Aspartate_13C_3Aspartic acidME6963205960C00049--
Aspartate_13C_4Aspartic acidME6963215960C00049--
Citrate or IsocitrateCitric acid/Isocitric acidME696328311C00158--
Citrate or Isocitrate_13C_1Citric acid/Isocitric acidME696329311C00158--
Citrate or Isocitrate_13C_2Citric acid/Isocitric acidME696330311C00158--
Citrate or Isocitrate_13C_3Citric acid/Isocitric acidME696331311C00158--
Citrate or Isocitrate_13C_4Citric acid/Isocitric acidME696332311C00158--
Citrate or Isocitrate_13C_5Citric acid/Isocitric acidME696333311C00158--
Citrate or Isocitrate_13C_6Citric acid/Isocitric acidME696334311C00158--
Erythrose 4-phosphateErythrose 4-phosphateME696335122357C00279--
Erythrose 4-phosphate_13C_1Erythrose 4-phosphateME696336122357C00279--
Erythrose 4-phosphate_13C_2Erythrose 4-phosphateME696337122357C00279--
Erythrose 4-phosphate_13C_3Erythrose 4-phosphateME696338122357C00279--
Erythrose 4-phosphate_13C_4Erythrose 4-phosphateME696339122357C00279--
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME696285172313C00354--
Fructose 1,6-bisphosphate_13C_1Fructose 1,6-bisphosphateME696340172313C00354--
Fructose 1,6-bisphosphate_13C_2Fructose 1,6-bisphosphateME696341172313C00354--
Fructose 1,6-bisphosphate_13C_3Fructose 1,6-bisphosphateME696342172313C00354--
Fructose 1,6-bisphosphate_13C_4Fructose 1,6-bisphosphateME696343172313C00354--
Fructose 1,6-bisphosphate_13C_5Fructose 1,6-bisphosphateME696344172313C00354--
Fructose 1,6-bisphosphate_13C_6Fructose 1,6-bisphosphateME696345172313C00354--
Glucose 6-phosphate or fructose-6-phosphateGlucose 6-phosphateME6963505958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_1Glucose 6-phosphateME6963515958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_2Glucose 6-phosphateME6963525958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_3Glucose 6-phosphateME6963535958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_4Glucose 6-phosphateME6963545958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_5Glucose 6-phosphateME6963555958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_6Glucose 6-phosphateME6963565958C00092--
GlutamateGlutamic acidME696361611---
Glutamate_13C_1Glutamic acidME696362611---
Glutamate_13C_2Glutamic acidME696363611---
Glutamate_13C_3Glutamic acidME696364611---
Glutamate_13C_4Glutamic acidME696365611---
Glutamate_13C_5Glutamic acidME696366611---
LactateLactic acidME696367107689C00186--
Lactate_13C_1Lactic acidME696368107689C00186--
Lactate_13C_2Lactic acidME696369107689C00186--
Lactate_13C_3Lactic acidME696370107689C00186--
MalateMalic acidME696286222656C00149--
Malate_13C_1Malic acidME696371222656C00149--
Malate_13C_2Malic acidME696372222656C00149--
Malate_13C_3Malic acidME696373222656C00149--
Malate_13C_4Malic acidME696374222656C00149--
Malonyl-CoAMalonyl-CoAME696375644066C00083--
Malonyl-CoA_13C_1Malonyl-CoAME696376644066C00083--
Malonyl-CoA_13C_2Malonyl-CoAME696377644066C00083--
Malonyl-CoA_13C_3Malonyl-CoAME696378644066C00083--
Nicotinamide Adenine Dinucleotide oxidizedNAD+ME69628710897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_1NAD+ME69637910897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_2NAD+ME69638010897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_3NAD+ME69638110897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_4NAD+ME69638210897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_5NAD+ME69638310897651C00003--
Nicotinamide Adenine Dinucleotide reducedNADHME696288439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_1NADHME696384439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_2NADHME696385439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_3NADHME696386439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_4NADHME696387439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_5NADHME696388439153C00004--
PhosphoenolpyruvatePhosphoenolpyruvic acidME6962891005C00074--
Phosphoenolpyruvate_13C_1Phosphoenolpyruvic acidME6963891005C00074--
Phosphoenolpyruvate_13C_2Phosphoenolpyruvic acidME6963901005C00074--
Phosphoenolpyruvate_13C_3Phosphoenolpyruvic acidME6963911005C00074--
Ribose-5-phosphate or xylulose 5-phosphateRibose 5-phosphateME69639277982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_1Ribose 5-phosphateME69639377982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_2Ribose 5-phosphateME69639477982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_3Ribose 5-phosphateME69639577982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_4Ribose 5-phosphateME69639677982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_5Ribose 5-phosphateME69639777982C00117--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME696398165007C05382--
Sedoheptulose 7-phosphate_13C_1Sedoheptulose 7-phosphateME696399165007C05382--
Sedoheptulose 7-phosphate_13C_2Sedoheptulose 7-phosphateME696400165007C05382--
Sedoheptulose 7-phosphate_13C_3Sedoheptulose 7-phosphateME696401165007C05382--
Sedoheptulose 7-phosphate_13C_4Sedoheptulose 7-phosphateME696402165007C05382--
Sedoheptulose 7-phosphate_13C_5Sedoheptulose 7-phosphateME696403165007C05382--
Sedoheptulose 7-phosphate_13C_6Sedoheptulose 7-phosphateME696404165007C05382--
Sedoheptulose 7-phosphate_13C_7Sedoheptulose 7-phosphateME696405165007C05382--
SucroseSucroseME6962905988C00089--
Sucrose_13C_1SucroseME6964065988C00089--
Sucrose_13C_2SucroseME6964075988C00089--
Sucrose_13C_3SucroseME6964085988C00089--
Sucrose_13C_4SucroseME6964095988C00089--


Analysis: ESI positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
AsparagineAsparagineME6964186267C00152--
AspartateAspartic acidME6964165960C00049--
Aspartate_13C_1Aspartic acidME6964105960C00049--
Aspartate_13C_2Aspartic acidME6964115960C00049--
Aspartate_13C_3Aspartic acidME6964125960C00049--
CysteineCysteineME696419594C00097--
GlutamateGlutamic acidME696417611---
Glutamate_13C_1Glutamic acidME696413611---
Glutamate_13C_2Glutamic acidME696414611---
Glutamate_13C_3Glutamic acidME696415611---
GlutamineGlutamineME6964205961C00064--
GlycineGlycineME696421750C00037--
IsoleucineIsoleucineME6964226306C00407--
LeucineLeucineME6964236106C00123--
LysineLysineME6964245962C00047--
MethionineMethionineME6964256137C00073--
PhenylalaninePhenylalanineME6964266140C00079--
ProlineProlineME696427145742C00148--
SerineSerineME6964285951C00065--
ThreonineThreonineME6964296288C00188--
TryptophanTryptophanME6964306305C00078--
ValineValineME6964316287C00183--


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