GC-MS Spectrum - Malonic acid GC-MS (3 TMS) (HMDB0000691)
Spectrum Details
| HMDB ID: | HMDB0000691 |
|---|---|
| Compound Name: | Malonic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | Not Available |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | GC-MS Spectrum - Malonic acid GC-MS (3 TMS) |
| Splash Key: | splash10-05gl-1943000000-456e387fdf365bf0f8ee 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: | 1416.3 |
| Column Type: | 5%-phenyl-95%-dimethylpolysiloxane capillary column |
| Derivative Type: | 3 TMS |
| Derivative Formula: | C12H28O4Si3 |
| Derivative Molecular Weight: | 320.605 |
Notes
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Golm MSL Record (TXT) | Download file | 1.98 KB |
| Generated list of m/z values for the spectrum (TXT) | Download file | 918 Bytes |
| mzML formatted file (MZML) | Download file | 5.69 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) [e11dd9eb-d1d3-4f8e-ac37-931f05c4eb69 ]