Hmdb loader
Spectrum Details
HMDB ID:HMDB0245961
Compound name:1,2-Propanediol, 3-(octyloxy)-
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-0a4i-9000000000-97dc8d4a6d6471305f23
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:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C11H24O3
Molecular Weight (Monoisotopic Mass):204.1725 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file279 Bytes
Peak assignments (TSV)Download file485 Bytes
mzML formatted file (MZML)Download file4.39 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 ]