GC-MS Spectrum - Cis-5-Caffeoylquinic acid GC-MS (6 TMS) (HMDB0029278)
Spectrum Details
| HMDB ID: | HMDB0029278 |
|---|---|
| Compound Name: | Cis-5-Caffeoylquinic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | Not Available |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | GC-MS Spectrum - Cis-5-Caffeoylquinic acid GC-MS (6 TMS) |
| Splash Key: | splash10-0a4j-1897000000-09420d5c4ce1c849a2b5 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: | 2977.33 |
| Column Type: | 5%-phenyl-95%-dimethylpolysiloxane capillary column |
| Derivative Type: | 6 TMS |
| Derivative Formula: | C34H66O9Si6 |
| Derivative Molecular Weight: | 787.396 |
Notes
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Golm MSL Record (TXT) | Download file | 3.87 KB |
| Generated list of m/z values for the spectrum (TXT) | Download file | 2.14 KB |
| mzML formatted file (MZML) | Download file | 7.99 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) [5bb480fd-2d3a-4b4b-ad0f-7f689f761079 ]