Spectrum Details
MiMe ID:MMDBc0001297
Compound Name:Anthcolorin A
Derivative IUPAC Name:(3R)-3-{[(3S,4aS,6aS,8S,10aR,10bS)-6a,10b-dimethyl-7-methylidene-3-{2-[(trimethylsilyl)oxy]propan-2-yl}-dodecahydro-1H-naphtho[2,1-b]pyran-8-yl]methyl}-1-(2-methylbut-3-en-2-yl)-2,3-dihydro-1H-indol-2-one
Derivative SMILES:C=CC(C)(C)N1C(=O)[C@H](C[C@@H]2CC[C@@H]3[C@](C)(CC[C@@H]4O[C@H](C(C)(C)O[Si](C)(C)C)CC[C@]43C)C2=C)C2=CC=CC=C21
Derivative InChIKey:InChIKey=SQXGMBVEORJRRC-XFDXPINNSA-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:C33H47NO3
Molecular Weight (Monoisotopic Mass):505.3556 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 file773 Bytes
mzML formatted file (MZML)Download file4.63 KB
References