IR Ion Spectrum (Predicted IRIS Spectrum, [M+H]+) (HMDB0039465)
Spectrum Details
| HMDB ID: | HMDB0039465 |
|---|---|
| Compound name: | S-Methyl hexanethioate |
| Spectrum type: | IR Ion Spectrum |
| Adduct: | [M+H]+ |
Spectrum View
Experimental Conditions
| HMDB ID: | HMDB0039465 |
|---|---|
| Spectrum type: | IR Ion Spectrum |
| Adduct: | [M+H]+ |
| Instrument Type: | Not Available |
| Laser Power: | Not Available |
| Number of Pulses: | Not Available |
Documentation
| Document Description | Download | File Size |
|---|---|---|
| xml file (XML) | Download file | 53.4 KB |
| sticks file (fundamental-ir) (XY) | Download file | 1.16 KB |
| Spectrum image from FELIX lab (PNG) | Download file | 27.3 KB |
References
- Houthuijs KJ, Berden G, Engelke UFH, Gautam V, Wishart DS, Wevers RA, Martens J, Oomens J: An in silico infrared spectral library of molecular ions for metabolite identification. to be submitted.