Predicted LC-MS/MS Spectrum - 20V, Negative (FDB003374)
Spectrum Details
FooDB ID: | FDB003374 |
---|---|
Compound name: | 4-(Methylthio)-2-butanone |
Spectrum type: | Predicted LC-MS/MS Spectrum - 20V, Negative |
Splash Key: | splash10-0002-9100000000-1d5acd0a7e9bc05360b7 |
Notes: | This is a predicted spectrum and it should only be used as a guide, further evidence is required to confirm identification. |
Spectrum View
Experimental Conditions
Ionization Mode: | Negative |
---|---|
Collision Energy: | 20 eV |
Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C5H10OS |
Molecular Weight (Monoisotopic Mass): | 118.0452 Da |
Documentation
Document Description | Download | |
---|---|---|
List of m/z values for the spectrum (TXT) | Download file | 534 Bytes |
Generated list of m/z values for the spectrum (TXT-20190109-20465-3G40L3) | Download file | 534 Bytes |
mzML formatted file (MZML) | Download file | 4.38 KB |
References
- Allen F, Greiner R, Wishart D: Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification. Metabolomics. 2015 11(1):98–110. doi: 10.1007/s11306-014-0676-4.