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Spectrum Details
T3DB ID:T3D2667
Compound name:Ibandronate
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-0fai-9131000000-ba46adab8d9bdbd3c87c
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:C9H23NO7P2
Molecular Weight (Monoisotopic Mass):319.095 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file318 Bytes
Peak assignments (TSV)Download file848 Bytes
mzML formatted file (MZML)Download file4.44 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 ]