Hmdb loader
Spectrum Details
HMDB ID:HMDB0035219
Compound name:Aloin
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-014r-0391200000-9d62f75a4a90996aa448
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:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C21H22O9
Molecular Weight (Monoisotopic Mass):418.1264 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file2.16 KB
Peak assignments (TSV)Download file8.24 KB
mzML formatted file (MZML)Download file6.94 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 ]