Predicted LC-MS/MS Spectrum - 40V, Negative (T3D3960)
Spectrum Details
| T3DB ID: | T3D3960 |
|---|---|
| Compound name: | Monoisobutyl phthalic acid |
| Spectrum type: | Predicted LC-MS/MS Spectrum - 40V, Negative |
| Splash Key: | splash10-004i-9200000000-c321d909ae49bc32f15a |
| 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: | C12H14O4 |
| Molecular Weight (Monoisotopic Mass): | 222.0892 Da |
Documentation
Not Available
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 ]