Spectrum Details
MiMe ID:MMDBc0010110
Compound Name:Victorin D
Derivative IUPAC Name:(2S)-3-{[(2S,3R)-6-amino-2-{[(2S)-5,5-dichloro-1-hydroxy-4-methyl-2-[(1,2,2-trihydroxyethylidene)amino]pentylidene]amino}-1,3-dihydroxyhexylidene]amino}-6-(chloromethylidene)-7-hydroxy-11-oxo-2-(propan-2-yl)-4-[(trimethylsilyl)oxy]-2H,3H,6H,9H,10H,11H,12H,13H-cyclopenta[k]1-oxa-5,8-diazacyclododecane-9-carboxylic acid
Derivative SMILES:CC(C[C@H](N=C(O)C(O)O)C(O)=N[C@H](C(O)=NC1C(O[Si](C)(C)C)=NC(=CCl)C(O)=NC(C(=O)O)CC2=C(CCC2=O)O[C@H]1C(C)C)[C@H](O)CCCN)C(Cl)Cl
Derivative InChIKey:InChIKey=UETNXJHIZDQDDF-VFOGISLOSA-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:C31H45Cl3N6O12
Molecular Weight (Monoisotopic Mass):798.2161 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 file786 Bytes
mzML formatted file (MZML)Download file4.63 KB
References