Hmdb loader
Spectrum Details
HMDB ID:HMDB0302446
Compound name:3-Methylpentan-3-ol
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-0kai-9000000000-76bf260cbd943764c919
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:C6H14O
Molecular Weight (Monoisotopic Mass):102.1045 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file144 Bytes
Peak assignments (TSV)Download file242 Bytes
mzML formatted file (MZML)Download file4.19 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 ]