Spectrum Details
MiMe ID:MMDBc0010368
Compound Name:Ergotryptamine
Derivative IUPAC Name:methyl(2-{4-[(1E)-3-methyl-3-[(trimethylsilyl)oxy]but-1-en-1-yl]-1H-indol-3-yl}ethyl)amine
Derivative SMILES:CNCCC1=CNC2=CC=CC(/C=C/C(C)(C)O[Si](C)(C)C)=C12
Derivative InChIKey:InChIKey=HREBKRTWGFCFNW-ZRDIBKRKSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive
Splash Key:Not Available
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
Ionization Energy:70 eV
Chromatography Type:Gas Chromatography Column (GC)
Instrument Type:Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution:0.0001 Da
Molecular Formula:C16H22N2O
Molecular Weight (Monoisotopic Mass):258.1732 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file779 Bytes
mzML formatted file (MZML)Download file4.63 KB
References