Spectrum Details
MiMe ID:MMDBc0010195
Compound Name:Isochaetoglobosin D
Derivative IUPAC Name:(3S,3aR,4S,6S,10S,17aS)-3-[(1H-indol-3-yl)methyl]-4,10,12-trimethyl-5-methylidene-1,6,14,17-tetrakis[(trimethylsilyl)oxy]-3H,3aH,4H,5H,6H,6aH,9H,10H,13H-cyclotrideca[d]isoindol-13-one
Derivative SMILES:C=C1[C@@H](O[Si](C)(C)C)C2/C=C/C[C@H](C)/C=C(/C)C(=O)C(O[Si](C)(C)C)=CC=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=N[C@@H](CC2=CNC4=CC=CC=C24)[C@@H]3[C@@H]1C
Derivative InChIKey:InChIKey=SNOUELHXNFEDOB-DSAUIOELSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_4_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:C32H36N2O5
Molecular Weight (Monoisotopic Mass):528.2624 Da
Derivative Type:TMS_4_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file773 Bytes
mzML formatted file (MZML)Download file4.63 KB
References