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Spectrum Details
HMDB ID:HMDB0036133
Compound name:3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-0k9i-1900000000-d7e3e42a4a0df375082e
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:C13H26O3
Molecular Weight (Monoisotopic Mass):230.1882 Da
Documentation
Not Available
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 ]