Spectrum Details
MiMe ID:MMDBc0009246
Compound Name:Aspernigrin A
Derivative IUPAC Name:6-benzyl-4-oxo-N,N-bis(trimethylsilyl)-1,4-dihydropyridine-3-carboxamide
Derivative SMILES:C[Si](C)(C)N(C(=O)C1=CNC(CC2=CC=CC=C2)=CC1=O)[Si](C)(C)C
Derivative InChIKey:InChIKey=MLYVCQKEPSPCLM-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:C13H12N2O2
Molecular Weight (Monoisotopic Mass):228.0899 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 file775 Bytes
mzML formatted file (MZML)Download file4.63 KB
References