Predicted LC-MS/MS Spectrum - 40V, Negative (HMDB0032669)
Spectrum Details
HMDB ID: | HMDB0032669 |
---|---|
Compound name: | (3beta,5alpha,9alpha,22E,24R)-3,5,9-Trihydroxy-23-methylergosta-7,22-dien-6-one |
Spectrum type: | Predicted LC-MS/MS Spectrum - 40V, Negative |
Splash Key: | splash10-0007-5208900000-0364577404f7fe9c8a12 |
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: | 40 eV |
Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C29H46O4 |
Molecular Weight (Monoisotopic Mass): | 458.3396 Da |
Documentation
Document Description | Download | |
---|---|---|
List of m/z values for the spectrum (TXT) | Download file | 733 Bytes |
Generated list of m/z values for the spectrum (TXT-20190109-20465-1MP8428) | Download file | 733 Bytes |
mzML formatted file (MZML) | Download file | 4.58 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.