GC-MS Spectrum - 3-Sulfinoalanine GC-MS (3 TMS) (HMDB0000996)
Spectrum Details
| HMDB ID: | HMDB0000996 |
|---|---|
| Compound Name: | 3-Sulfinoalanine |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | Not Available |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | GC-MS Spectrum - 3-Sulfinoalanine GC-MS (3 TMS) |
| Splash Key: | splash10-0gbi-1940000000-6f5b1dbc8f18bf19a1ba 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: | 1679.12 |
| Column Type: | 5%-phenyl-95%-dimethylpolysiloxane capillary column |
| Derivative Type: | 3 TMS |
| Derivative Formula: | C11H31NO2S2Si3 |
| Derivative Molecular Weight: | 357.758 |
Notes
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Golm MSL Record (TXT) | Download file | 3.71 KB |
| Generated list of m/z values for the spectrum (TXT) | Download file | 2.25 KB |
| mzML formatted file (MZML) | Download file | 8.26 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) [ef560095-8e1f-461b-a86a-a25fa844f5ad ]