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Spectrum Details
HMDB ID:HMDB0015692
Compound name:Isothipendyl
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-000i-6090000000-6b8cdeb3b3c8ce9bba38
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:C16H19N3S
Molecular Weight (Monoisotopic Mass):285.13 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file178 Bytes
Peak assignments (TSV)Download file178 Bytes
mzML formatted file (MZML)Download file4.59 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 ]