Hmdb loader
Spectrum Details
HMDB ID:HMDB0244208
Compound name:1,4-Diazabicyclo[2.2.2]octane
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-03di-0900000000-e86c0cff0b2bec4584d1
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:C6H12N2
Molecular Weight (Monoisotopic Mass):112.1 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file39 Bytes
Peak assignments (TSV)Download file63 Bytes
mzML formatted file (MZML)Download file4.05 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 ]