Hmdb loader
Spectrum Details
HMDB ID:HMDB0304739
Compound name:Sulforaphane-N-acetyl-L-cysteine
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-0002-0000000090-b1fb8423285a4927f1c6
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:C57H98O6
Molecular Weight (Monoisotopic Mass):878.7363 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file38 Bytes
Peak assignments (TSV)Download file147 Bytes
mzML formatted file (MZML)Download file4.06 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 ]