GC-MS Spectrum - GC-MS (4 TMS) (BMDB0001866)
Spectrum Details
| BMDB ID: | BMDB0001866 |
|---|---|
| Compound Name: | 3,4-Dihydroxymandelic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | Not Available |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | GC-MS Spectrum - GC-MS (4 TMS) |
| Splash Key: | splash10-0a4i-1679200000-30b0a470753b8a534ffb 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: | 1910.6 |
| Column Type: | 5%-phenyl-95%-dimethylpolysiloxane capillary column |
| Derivative Type: | 4 TMS |
| Derivative Formula: | C20H40O5Si4 |
| Derivative Molecular Weight: | 472.871 |
Notes
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Golm MSL Record (TXT) | Download file | 6.32 KB |
| Generated list of m/z values for the spectrum (TXT) | Download file | 4.2 KB |
| mzML formatted file (MZML) | Download file | 11.9 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) [9a278979-2e89-4719-ae79-5b4b899c41cf ]