Spectrum Details
MiMe ID:MMDBc0001283
Compound Name:Ct 6 A
Derivative IUPAC Name:(4S)-2-({9-[(2R,3R,4S,5R)-3-hydroxy-4-[(trimethylsilyl)oxy]-5-{[(trimethylsilyl)oxy]methyl}oxolan-2-yl]-9H-purin-6-yl}amino)-4-[(1R)-1-[(trimethylsilyl)oxy]ethyl]-4,5-dihydro-1,3-oxazol-5-one
Derivative SMILES:C[C@@H](O[Si](C)(C)C)[C@@H]1N=C(NC2=NC=NC3=C2N=CN3[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)OC1=O
Derivative InChIKey:InChIKey=VWLDIEAIOQTWFW-KSSRIFPZSA-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:C15H18N6O7
Molecular Weight (Monoisotopic Mass):394.1237 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 file773 Bytes
mzML formatted file (MZML)Download file4.63 KB
References