Spectrum Details
T3DB ID:T3D4957
Compound name:(E)-N-[2-[[5-(Dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-(4-methylpiperazin-1-yl)-2-nitroethenamine
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-0759-9440000000-e3bd7e171d79d54cf717
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:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C17H29N5O3S
Molecular Weight (Monoisotopic Mass):383.1991 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file741 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-1V8T0BX)Download file741 Bytes
mzML formatted file (MZML)Download file4.59 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.