Spectrum Details
MiMe ID:MMDBc0029571
Compound Name:Dihydroneopterin triphosphate
Derivative IUPAC Name:({[(2R,3S)-3-(2-amino-4-oxo-1,4,7,8-tetrahydropteridin-6-yl)-2-hydroxy-3-[(trimethylsilyl)oxy]propoxy](hydroxy)phosphoryl}oxy)({hydroxy[(trimethylsilyl)oxy]phosphoryl}oxy)phosphinic acid
Derivative SMILES:C[Si](C)(C)O[C@@H](C1=NC2=C(NC1)[NH]C(N)=NC2=O)[C@H](O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C
Derivative InChIKey:InChIKey=MWNNKZRUFGAGAY-PWSUYJOCSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_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:C9H16N5O13P3
Molecular Weight (Monoisotopic Mass):494.9957 Da
Derivative Type:TMS_2_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@@H](C1=NC2=C(NC1)[NH]C(N)=NC2=O)[C@H](O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file752 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available