Spectrum Details
MiMe ID:MMDBc0001585
Compound Name:Chaetoglobosin T
Derivative IUPAC Name:(3S,3aR,4S,6aS,10S,13S,17aR)-1-hydroxy-3-[(1H-indol-3-yl)methyl]-4,5,10,12-tetramethyl-13-[(trimethylsilyl)oxy]-3H,3aH,4H,6aH,9H,10H,13H,14H,17H-cyclotrideca[d]isoindol-17-one
Derivative SMILES:CC1=C[C@@H]2/C=C\C[C@H](C)/C=C(/C)[C@@H](O[Si](C)(C)C)CC=CC(=O)[C@]23C(O)=N[C@@H](CC2=CNC4=CC=CC=C24)[C@@H]3[C@@H]1C
Derivative InChIKey:InChIKey=KDXHBJHTNGHEEN-YUNZRLORSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_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:C32H38N2O3
Molecular Weight (Monoisotopic Mass):498.2882 Da
Derivative Type:TMS_1_2
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file776 Bytes
mzML formatted file (MZML)Download file4.63 KB
References