Spectrum Details
MiMe ID:MMDBc0017931
Compound Name:9ξ-O-2(2,3-dimethylbut-3-enyl)brevianamide Q
Derivative IUPAC Name:8a-[(2,3-dimethylbut-3-en-2-yl)oxy]-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene}-1-[(trimethylsilyl)oxy]-3H,4H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-4-one
Derivative SMILES:C=CC(C)(C)C1=C(C=C2N=C(O[Si](C)(C)C)C3(OC(C)(C)C(=C)C)CCCN3C2=O)C2=CC=CC=C2N1
Derivative InChIKey:InChIKey=BSNXDBKJMUKPLR-UHFFFAOYNA-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:C27H33N3O3
Molecular Weight (Monoisotopic Mass):447.2522 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 file775 Bytes
mzML formatted file (MZML)Download file4.63 KB
References