Spectrum Details
FooDB ID:FDB013817
Compound name:2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-03du-5900000000-516eb7d2e043a2c3e5f9
Notes:This is a predicted spectrum and it should only be used as a guide, further evidence is required to confirm identification.
Spectrum View
Relative Intensity
20406080100
204060801000102030405060708090100110120130140150160170180190
0102030405060708090100110120130140150160170180190
m/z
Experimental Conditions
Ionization Mode:Positive
Collision Energy:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C9H13NO4
Molecular Weight (Monoisotopic Mass):199.0845 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file740 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-1SGAGV2)Download file740 Bytes
mzML formatted file (MZML)Download file4.58 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.