Predicted LC-MS/MS Spectrum - 40V, Negative (HMDB0286182)
Spectrum Details
HMDB ID: | HMDB0286182 |
---|---|
Compound name: | PC(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/17:0) |
Spectrum type: | Predicted LC-MS/MS Spectrum - 40V, Negative |
Splash Key: | splash10-01i6-0099000090-e1f3f0a81e1c64ccfaff |
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: | C47H82NO9P |
Molecular Weight (Monoisotopic Mass): | 835.5727 Da |
Documentation
Document Description | Download | |
---|---|---|
Generated list of m/z values for the spectrum (TSV) | Download file | 67 Bytes |
Peak assignments (TSV) | Download file | 236 Bytes |
mzML formatted file (MZML) | Download file | 4.08 KB |
References
- Wang F, Liigand J, Tian S, Arndt D, Greiner R, and Wishart D. CFM-ID 4.0: More Accurate ESI MS/MS Spectral Prediction and Compound Identification. Analytical Chemistry202193 (34), 11692-11700 DOI: 10.1021/acs.analchem.1c01465 [PubMed: 34403256 ]