Hmdb loader
Spectrum Details
HMDB ID:HMDB0031758
Compound name:Allithiamine
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Positive
Splash Key:splash10-05g1-4988000000-478fc1fca9712b55c99a
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:C15H22N4O2S2
Molecular Weight (Monoisotopic Mass):354.1184 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file745 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-BDTUB8)Download file745 Bytes
mzML formatted file (MZML)Download file4.57 KB
References
  1. Allen F, Greiner R, Wishart D: Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification. Metabolomics. 2015 11(1):98–110. doi: 10.1007/s11306-014-0676-4.