Predicted LC-MS/MS Spectrum - 20V, Positive (LMDB00026)
Spectrum Details
| LMDB ID: | LMDB00026 |
|---|---|
| Compound name: | Acetoacetic acid |
| Spectrum type: | Predicted LC-MS/MS Spectrum - 20V, Positive |
| Splash Key: | splash10-0006-9000000000-42af30a03d7e2d4c22fc |
| 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: | 20 eV |
| Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
| Mass Resolution: | 0.0001 Da |
| Molecular Formula: | C4H6O3 |
| Molecular Weight (Monoisotopic Mass): | 102.0317 Da |
| Molecular Weight (Avergae Mass): | 102.0886 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 ]