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Spectrum Details
HMDB ID:HMDB0060382
Compound name:3beta-Hydroxypregn-5-en-20-one sulfate
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Negative
Splash Key:splash10-0002-0009000000-5d910d6c0e79d0a64f73
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:C21H32O5S
Molecular Weight (Monoisotopic Mass):396.197 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file294 Bytes
Peak assignments (TSV)Download file1.16 KB
mzML formatted file (MZML)Download file4.35 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 ]