Hmdb loader
Spectrum Details
HMDB ID:HMDB0244489
Compound name:4-(2-Hydroxy-3-(tert-butylamino)propoxy)-3-iodo-1H-indole-2-carbonitrile
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-053s-6980000000-80b5082d35efe3794f2e
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:C16H20IN3O2
Molecular Weight (Monoisotopic Mass):413.06 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file621 Bytes
Peak assignments (TSV)Download file1.73 KB
mzML formatted file (MZML)Download file4.83 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 ]