Spectrum Details
MiMe ID:MMDBc0009177
Compound Name:Purple pigment
Derivative IUPAC Name:4'-methoxy-5'-{[4-methoxy-1-(trimethylsilyl)-1H,1'H-[2,2'-bipyrrol]-5-yl]methylidene}-1-(trimethylsilyl)-1H,5'H-2,2'-bipyrrole
Derivative SMILES:COC1=CC(C2=CC=CN2[Si](C)(C)C)=NC1=CC1=C(OC)C=C(C2=CC=CN2)N1[Si](C)(C)C
Derivative InChIKey:InChIKey=OMLMYKGQIXBGGE-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_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:C19H18N4O2
Molecular Weight (Monoisotopic Mass):334.143 Da
Derivative Type:TMS_2_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file781 Bytes
mzML formatted file (MZML)Download file4.63 KB
References