Predicted LC-MS/MS Spectrum - 40V, Positive (HMDB0245517)
Spectrum Details
HMDB ID: | HMDB0245517 |
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Compound name: | 2,6-Diisocyanatotoluene |
Spectrum type: | Predicted LC-MS/MS Spectrum - 40V, Positive |
Splash Key: | splash10-0ftf-9700000000-a94d675cc4f02bced0c8 |
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: | 40 eV |
Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C9H6N2O2 |
Molecular Weight (Monoisotopic Mass): | 174.0429 Da |
Documentation
Document Description | Download | |
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Generated list of m/z values for the spectrum (TSV) | Download file | 600 Bytes |
Peak assignments (TSV) | Download file | 1.32 KB |
mzML formatted file (MZML) | Download file | 4.8 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 ]