Standard Properties
- Full Name: 4-Methyl-5-vinylthiazole
- Spectrum Type: LC MS/MS +
- File: combined.msp
- Submission: Metabolomics of World Trade Center Exposed New York City Firefighters
- Cluster: Cluster ID = 1298257
- Synonym:
- External ID: 1759280
- Identifiers: CAS (1759280)
- Formula: C6H7NS
- Precursor m/z: 126.029856
- Retention time: 1.160475
- Retention index:
- Molecular mass: 125.03
- Canonical SMILES:
- InChi:
- InChiKey: QUAMMXIRDIIGDJ-UHFFFAOYSA-N
- Isotopic Distribution: 100.00 - 7.78 - 4.87 - 0.33 - 0.03
Molecular Structure
| M/z | Intensity |
|---|---|
| 127.0387 | 100 |
| 108.0444 | 16.2882 |
| 109.0284 | 14.671 |
| 126.0549 | 13.8026 |
| 113.0188 | 10.0757 |
| 99.0438 | 8.9008 |
| 126.0292 | 8.5722 |
| 81.0336 | 6.7193 |
| 80.0491 | 5.0071 |
| 71.0493 | 4.2004 |
| 98.0595 | 4.1347 |
| 126.0877 | 3.5428 |
| 99.0029 | 3.0204 |
| 98.0346 | 2.906 |
| 53.0388 | 2.1666 |
| 69.0334 | 1.994 |
| 109.0448 | 1.6044 |
| 55.0182 | 1.5371 |
| 55.0291 | 1.5213 |
| 70.0398 | 1.4434 |
| 85.0283 | 1.3088 |
| 70.0649 | 1.2683 |
| 82.0645 | 1.1268 |
| 84.0802 | 1.1234 |
| 97.0082 | 1.0068 |
| 84.0442 | 1.0036 |
| 55.0543 | 0.98 |
| 82.9467 | 0.946 |
| 98.9408 | 0.8132 |
| 81.0696 | 0.793 |
| 108.0114 | 0.7198 |
| 84.0221 | 0.6905 |
| 52.2387 | 0.5971 |
| 62.5576 | 0.5944 |