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Spectrum Details
HMDB ID:HMDB0015680
Compound name:Nonoxynol-9
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-0002-9200000000-eb029ba675072da81535
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:Positive
Collision Energy:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C33H60O10
Molecular Weight (Monoisotopic Mass):616.4186 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file561 Bytes
Peak assignments (TSV)Download file1.35 KB
mzML formatted file (MZML)Download file4.77 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 ]