Spectrum Details
MiMe ID:MMDBc0015837
Compound Name:Anthcolorin F
Derivative IUPAC Name:(3S)-3-{[(2S,4aR,5S,6S,8aS)-5,8a-dimethyl-5-[(3S)-4-methyl-3,4-bis[(trimethylsilyl)oxy]pentyl]-1-methylidene-6-[(trimethylsilyl)oxy]-decahydronaphthalen-2-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](O[Si](C)(C)C)[C@@]3(C)CC[C@H](O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C2=C)C2=CC=CC=C21
Derivative InChIKey:InChIKey=ONMUKLCWSOECBL-RHKUKOIXSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_3_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:C33H49NO4
Molecular Weight (Monoisotopic Mass):523.3662 Da
Derivative Type:TMS_3_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file778 Bytes
mzML formatted file (MZML)Download file4.63 KB
References