Hmdb loader
Spectrum Details
HMDB ID:HMDB0304243
Compound name:7-methylthioheptyldesulfoglucosinolate
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Negative
Splash Key:splash10-001i-0009000000-e6805e13fbba03fb4dd3
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:10 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C15H29NO6S2
Molecular Weight (Monoisotopic Mass):383.1436 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file141 Bytes
Peak assignments (TSV)Download file413 Bytes
mzML formatted file (MZML)Download file4.16 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 ]