Hmdb loader
Spectrum Details
HMDB ID:HMDB0247447
Compound name:8-Mercaptooctanoic acid
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-056u-1900000000-a460a1647dba316e21aa
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:C8H16O2S
Molecular Weight (Monoisotopic Mass):176.0871 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file202 Bytes
Peak assignments (TSV)Download file366 Bytes
mzML formatted file (MZML)Download file4.28 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 ]