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Spectrum Details
HMDB ID:HMDB0304861
Compound name:Relugolix
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-0a6s-0000090000-0ff5b2fc4a14a1fc0998
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:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C29H27F2N7O5S
Molecular Weight (Monoisotopic Mass):623.1762 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file877 Bytes
Peak assignments (TSV)Download file5.19 KB
mzML formatted file (MZML)Download file5.17 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 ]