Spectrum Details
MiMe ID:MMDBc0030060
Compound Name:Formamidopyrimidine nucleoside triphosphate
Derivative IUPAC Name:({[({[(2R,3S,4R,5R)-5-({2-amino-6-oxo-5-[N-(trimethylsilyl)formamido]-1,6-dihydropyrimidin-4-yl}amino)-4-hydroxy-3-[(trimethylsilyl)oxy]oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Derivative SMILES:C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](NC2=C(N(C=O)[Si](C)(C)C)C(=O)[NH]C(N)=N2)[C@@H]1O
Derivative InChIKey:InChIKey=OEZIYOAJBURLDG-SDBHATRESA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 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:C10H18N5O15P3
Molecular Weight (Monoisotopic Mass):541.0012 Da
Derivative Type:TMS_2_8
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](NC2=C(N(C=O)[Si](C)(C)C)C(=O)[NH]C(N)=N2)[C@@H]1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file744 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available