Spectrum Details
MiMe ID:MMDBc0016073
Compound Name:Violacein
Derivative IUPAC Name:3-[1-(tert-butyldimethylsilyl)-2-[(tert-butyldimethylsilyl)oxy]-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrol-3-yl]-2H-indol-2-one
Derivative SMILES:CC(C)(C)[Si](C)(C)OC1=C(C2=C3C=CC=CC3=NC2=O)C=C(C2=C[NH]C3=CC=C(O)C=C23)N1[Si](C)(C)C(C)(C)C
Derivative InChIKey:InChIKey=GHRRPHNPQFUQKS-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_2_2) - 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:TBDMS_2_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC1=C(C2=C3C=CC=CC3=NC2=O)C=C(C2=C[NH]C3=CC=C(O)C=C23)N1[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file747 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available