Hmdb loader
Spectrum Details
HMDB ID:HMDB0015662
Compound name:Fosaprepitant
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-000t-6310910000-d9ef03984b10377db0eb
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:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C23H22F7N4O6P
Molecular Weight (Monoisotopic Mass):614.1165 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file747 Bytes
Peak assignments (TSV)Download file3.16 KB
mzML formatted file (MZML)Download file5 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 ]