GC-MS Spectrum - GC-MS (4 TMS) (BMDB0109734)
Spectrum Details
| BMDB ID: | BMDB0109734 |
|---|---|
| Compound Name: | Isopropyl beta-D-1-thiogalactopyranoside |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | Not Available |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | GC-MS Spectrum - GC-MS (4 TMS) |
| Splash Key: | splash10-014i-1951000000-f57f9ec1838cc25f9520 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: | 2059.95 |
| Column Type: | 5%-phenyl-95%-dimethylpolysiloxane capillary column |
| Derivative Type: | 4 TMS |
| Derivative Formula: | C21H50O5SSi4 |
| Derivative Molecular Weight: | 527.027 |
Notes
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Golm MSL Record (TXT) | Download file | 6.46 KB |
| Generated list of m/z values for the spectrum (TXT) | Download file | 4.2 KB |
| mzML formatted file (MZML) | Download file | 12.1 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) [a0e04178-c333-452d-ae85-d3e65dc27cc1 ]