Predicted LC-MS/MS Spectrum - 10V, Positive (HMDB0245968)
Spectrum Details
HMDB ID: | HMDB0245968 |
---|---|
Compound name: | 3-Phenoxypropylene di(acetate) |
Spectrum type: | Predicted LC-MS/MS Spectrum - 10V, Positive |
Splash Key: | splash10-0f7w-8910000000-cddb96fdd3bd6b07c5c8 |
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: | 10 eV |
Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C13H16O5 |
Molecular Weight (Monoisotopic Mass): | 252.0998 Da |
Documentation
Document Description | Download | |
---|---|---|
Generated list of m/z values for the spectrum (TSV) | Download file | 526 Bytes |
Peak assignments (TSV) | Download file | 1.25 KB |
mzML formatted file (MZML) | Download file | 4.7 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 ]