GC-MS Spectrum - GC-MS (3 TMS) (FDB008304)
Spectrum Details
| FooDB ID: | FDB008304 |
|---|---|
| Compound Name: | Aconitic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | Not Available |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | GC-MS Spectrum - GC-MS (3 TMS) |
| Splash Key: | splash10-004i-3591000000-a58ec1ba633b098e0867 View in MoNA |
Spectrum View
Experimental Conditions
| Instrument Type: | GC-MS |
|---|---|
| Chromatography Type: | GC |
| Retention Index Type: | based on 9 n-alkanes (C10–C36) |
| Retention Index: | 1741.1 |
| Column Type: | 5%-phenyl-95%-dimethylpolysiloxane capillary column |
| Derivative Type: | 3 TMS |
| Derivative Formula: | C15H30O6Si3 |
| Derivative Molecular Weight: | 390.652 |
Notes
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Golm MSL Record (TXT) | Download file | 3.46 KB |
| Generated list of m/z values for the spectrum (TXT) | Download file | 1.79 KB |
| mzML formatted file (MZML) | Download file | 7.35 KB |
References
- Hummel J, Strehmel N, Selbig J, Walther D, Kopka J: Decision tree supported substructure prediction of metabolites from GC-MS profiles. Metabolomics. 2010 Jun;6(2):322-333. Epub 2010 Feb 16. [PubMed: 20526350 ]
- Golm Metabolome Database (GMD) [0255a350-a680-48aa-a8f0-ef6df39159e2 ]