Predicted LC-MS/MS Spectrum - 20V, Positive (FDB029649)
Spectrum Details
| FooDB ID: | FDB029649 |
|---|---|
| Compound name: | 3-thienyl mercaptan |
| Spectrum type: | Predicted LC-MS/MS Spectrum - 20V, Positive |
| Splash Key: | splash10-014i-3900000000-3e32f28d08dd98b49f25 |
| 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: | C4H4S2 |
| Molecular Weight (Monoisotopic Mass): | 115.9754 Da |
Documentation
| Document Description | Download | |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 197 Bytes |
| Peak assignments (TSV) | Download file | 343 Bytes |
| mzML formatted file (MZML) | Download file | 4.27 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 ]