Predicted LC-MS/MS Spectrum - 20V, Positive (HMDB0259386)
Spectrum Details
HMDB ID: | HMDB0259386 |
---|---|
Compound name: | 1-Methyl ethyl 1-chloro-5-[[(5,6dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]benzoate |
Spectrum type: | Predicted LC-MS/MS Spectrum - 20V, Positive |
Splash Key: | splash10-03di-0291000000-601a4629ae4a49e46be5 |
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: | Positive |
---|---|
Collision Energy: | 20 eV |
Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C16H18ClNO4S |
Molecular Weight (Monoisotopic Mass): | 355.0645 Da |
Documentation
Document Description | Download | |
---|---|---|
List of m/z values for the spectrum (TXT) | Download file | 747 Bytes |
Generated list of m/z values for the spectrum (TXT-20190109-20465-1V4D6AG) | Download file | 747 Bytes |
mzML formatted file (MZML) | Download file | 4.56 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.