Spectrum Details
MiMe ID:MMDBc0000901
Compound Name:Kipukasin I
Derivative IUPAC Name:(2R,3R,4R,5R)-2-(hydroxymethyl)-5-{2-oxo-4-[(trimethylsilyl)oxy]-1,2-dihydropyrimidin-1-yl}-4-[(trimethylsilyl)oxy]oxolan-3-yl 2-methoxy-6-methyl-4-[(trimethylsilyl)oxy]benzoate
Derivative SMILES:COC1=CC(O[Si](C)(C)C)=CC(C)=C1C(=O)O[C@@H]1[C@@H](CO)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C
Derivative InChIKey:InChIKey=AHEMVYBHXQUKIO-KMRPREKFSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_3_4) - 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:C18H20N2O9
Molecular Weight (Monoisotopic Mass):408.1169 Da
Derivative Type:TMS_3_4
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file775 Bytes
mzML formatted file (MZML)Download file4.63 KB
References