Predicted LC-MS/MS Spectrum - 10V, Positive (HMDB0247043)
Spectrum Details
HMDB ID: | HMDB0247043 |
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Compound name: | 6-Chloro-2,3,4,5-tetrahydro-1H-3-benzazepine |
Spectrum type: | Predicted LC-MS/MS Spectrum - 10V, Positive |
Splash Key: | splash10-001i-0900000000-684a6c9e4b3cdd674ffd |
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 |
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Collision Energy: | 10 eV |
Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C10H12ClN |
Molecular Weight (Monoisotopic Mass): | 181.0658 Da |
Documentation
Document Description | Download | |
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Generated list of m/z values for the spectrum (TSV) | Download file | 226 Bytes |
Peak assignments (TSV) | Download file | 539 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 ]