GC-MS Spectrum - GC-MS (Non-derivatized) (T3D2712)
Spectrum Details
| T3DB ID: | T3D2712 |
|---|---|
| Compound Name: | Caffeine |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | Not Available |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | GC-MS Spectrum - GC-MS (Non-derivatized) |
| Splash Key: | splash10-0536-3900000000-4430852b279a72e34822 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: | 1882.74 |
| Column Type: | 5%-phenyl-95%-dimethylpolysiloxane capillary column |
Notes
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Golm MSL Record (TXT) | Download file | 2.42 KB |
| Generated list of m/z values for the spectrum (TXT) | Download file | 859 Bytes |
| mzML formatted file (MZML) | Download file | 5.64 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) [07e4fb58-fd79-4175-8e3d-05bf96954522 ]