Spectrum Details
MiMe ID:MMDBc0020230
Compound Name:Notoamide S
Derivative IUPAC Name:(3S,8aS)-1-hydroxy-3-{[7-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-1H-indol-3-yl]methyl}-3H,4H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-4-one
Derivative SMILES:C=CC(C)(C)C1=C(C[C@@H]2N=C(O)[C@@H]3CCCN3C2=O)C2=CC=C(O[Si](C)(C)C)C(CC=C(C)C)=C2N1[Si](C)(C)C
Derivative InChIKey:InChIKey=AFAATPSLNBLNMV-UIOOFZCWSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_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:C26H33N3O3
Molecular Weight (Monoisotopic Mass):435.2522 Da
Derivative Type:TMS_2_2
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file774 Bytes
mzML formatted file (MZML)Download file4.63 KB
References