GC-MS Spectrum - GC-MS (3 TMS) (BMDB0000462)
Spectrum Details
| BMDB ID: | BMDB0000462 |
|---|---|
| Compound Name: | Allantoin |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | Not Available |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | GC-MS Spectrum - GC-MS (3 TMS) |
| Splash Key: | splash10-0zfr-4951100000-88808e71aea4d5ad7885 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: | 2068.66 |
| Column Type: | 5%-phenyl-95%-dimethylpolysiloxane capillary column |
| Derivative Type: | 3 TMS |
| Derivative Formula: | C13H30N4O3Si3 |
| Derivative Molecular Weight: | 374.659 |
Notes
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Golm MSL Record (TXT) | Download file | 3.69 KB |
| Generated list of m/z values for the spectrum (TXT) | Download file | 2.19 KB |
| mzML formatted file (MZML) | Download file | 8.07 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) [28925d1b-da97-4cc3-8c7c-92e621794bba ]