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Spectrum Details
HMDB ID:HMDB0015402
Compound name:Carbetocin
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-00kf-4110000039-bdb27f69c62725bf0ea3
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:C45H69N11O12S
Molecular Weight (Monoisotopic Mass):987.4848 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file1 KB
Peak assignments (TSV)Download file7 KB
mzML formatted file (MZML)Download file5.36 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 ]