Hmdb loader
Spectrum Details
HMDB ID:HMDB0060562
Compound name:Captopril-cysteine disulfide
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-00di-9400000000-9f652252926ed848c725
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:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C12H20N2O5S2
Molecular Weight (Monoisotopic Mass):336.0814 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file546 Bytes
Peak assignments (TSV)Download file1.15 KB
mzML formatted file (MZML)Download file4.77 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 ]