GC-MS Spectrum - GC-MS (5 TMS) (CDB000107)
Spectrum Details
| CDB ID: | CDB000107 |
|---|---|
| Compound Name: | Quinic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | Not Available |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | GC-MS Spectrum - GC-MS (5 TMS) |
| Splash Key: | splash10-052b-1985000000-8de0c4f44a72e6fbc96b 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: | 1842.69 |
| Column Type: | 5%-phenyl-95%-dimethylpolysiloxane capillary column |
| Derivative Type: | 5 TMS |
| Derivative Formula: | C22H52O6Si5 |
| Derivative Molecular Weight: | 553.073 |
Notes
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Golm MSL Record (TXT) | Download file | 4.03 KB |
| Generated list of m/z values for the spectrum (TXT) | Download file | 2.29 KB |
| mzML formatted file (MZML) | Download file | 8.25 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) [9506c21a-0f1c-4ef9-9cda-2e5c46c1a5dc ]