Name of the metabolite
| Name | Name of the metabolite |  |
| CAS Number | Chemical Abstract Service identification number | |
| KEGG Number | Kyoto Encyclopedia of Genes and Genomes compound identification number | |
| InChIKey | International Chemical Identifier | |
| Formula | Chemical molecular formula describing elemental composition | |
| Monoisotopic Mass | Mass of the metabolite calculated from the most abundant isotopes of those elements instead of the isotopic average mass | |
| Biospecimen Location | The biospecimen location of the metabolite | |
| Authentic Standards | STD, Non-STD |
Derivatization Reagent : An experiment on the metabolite labeled by this derivatization reagent
Derivatization
Conditions of Chromatography and Mass Spectrometry
MS2
| Derivatization Reagent | The derivatization reagent labling the metabolite |
| m/z Labeled | m/z of the metabolite labeled by the derivatization reagent (For metabolites with standard, m/z is calculated from structure, and for metabolites without standard, it is measured by mass spectrometry.) |
| Retention Index (RI) | Retention index of the metabolite labeled by the derivatization reagent calculated from the retention time |
| Biospecimen Location | Biospecimen Location |
| Column | The chromatographic column used in this experiment |
| Temperature | Column temperature |
| Mobile Phases | Types of mobile phases used in this experiment |
| Instrument | The instrument used in this experiment |
| Scan Mode | Scan mode of mass spectrometry |
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MS3
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