Hmdb loader
Spectrum Details
HMDB ID:HMDB0247146
Compound name:2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Positive
Splash Key:splash10-014i-0039000000-3bdb586ad93b540b6eee
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:10 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C12H15NO7S
Molecular Weight (Monoisotopic Mass):317.0569 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file877 Bytes
Peak assignments (TSV)Download file2.87 KB
mzML formatted file (MZML)Download file5.14 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 ]