Spectrum Details
T3DB ID:T3D4716
Compound name:Thiotepa
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-0006-9700000000-601e44410bd7bac39398
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:Negative
Collision Energy:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C6H12N3PS
Molecular Weight (Monoisotopic Mass):189.049 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file133 Bytes
Peak assignments (TSV)Download file255 Bytes
mzML formatted file (MZML)Download file4.18 KB
References
  1. 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 ]