Spectrum Details
MiMe ID:MMDBc0016073
Compound Name:Violacein
Derivative IUPAC Name:3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-1-(trimethylsilyl)-1H-pyrrol-3-yl]-2H-indol-2-one
Derivative SMILES:C[Si](C)(C)N1C(C2=C[NH]C3=CC=C(O)C=C23)=CC(C2=C3C=CC=CC3=NC2=O)=C1O
Derivative InChIKey:InChIKey=UFVGNNZCZOPVOV-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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:C20H13N3O3
Molecular Weight (Monoisotopic Mass):343.0957 Da
Derivative Type:TMS_1_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)N1C(C2=C[NH]C3=CC=C(O)C=C23)=CC(C2=C3C=CC=CC3=NC2=O)=C1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file751 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available