Predicted LC-MS/MS Spectrum - 10V, Negative (FDB014796)
Spectrum Details
FooDB ID: | FDB014796 |
---|---|
Compound name: | 2-Isopropyl-5-methylphenol acetate |
Spectrum type: | Predicted LC-MS/MS Spectrum - 10V, Negative |
Splash Key: | splash10-0002-0900000000-8e96b658b999af249a3a |
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: | 10 eV |
Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C12H16O2 |
Molecular Weight (Monoisotopic Mass): | 192.115 Da |
Documentation
Document Description | Download | |
---|---|---|
Generated list of m/z values for the spectrum (TSV) | Download file | 237 Bytes |
Peak assignments (TSV) | Download file | 602 Bytes |
mzML formatted file (MZML) | Download file | 4.3 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 ]