Hmdb loader
Spectrum Details
HMDB ID:HMDB0014891
Compound name:Isoflurane
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Negative
Splash Key:splash10-001i-0900000000-cda3ea1a89b8c052a64a
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:C3H2ClF5O
Molecular Weight (Monoisotopic Mass):183.9714 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file39 Bytes
Peak assignments (TSV)Download file69 Bytes
mzML formatted file (MZML)Download file4.04 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 ]