GC-MS Spectrum - GC-MS (1 TMS) (T3D2936)
Spectrum Details
| T3DB ID: | T3D2936 |
|---|---|
| Compound Name: | Aspirin |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | Not Available |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | GC-MS Spectrum - GC-MS (1 TMS) |
| Splash Key: | splash10-006w-2910000000-910e8ce2493a05870b33 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: | 1531.68 |
| Column Type: | 5%-phenyl-95%-dimethylpolysiloxane capillary column |
| Derivative Type: | 1 TMS |
| Derivative Formula: | C12H16O4Si |
| Derivative Molecular Weight: | 252.339 |
Notes
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Golm MSL Record (TXT) | Download file | 4.91 KB |
| Generated list of m/z values for the spectrum (TXT) | Download file | 2.71 KB |
| mzML formatted file (MZML) | Download file | 9.27 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) [d3c6ad4b-f215-4984-ae82-5172e39762c6 ]