Spectrum Details
MiMe ID:MMDBc0029571
Compound Name:Dihydroneopterin triphosphate
Derivative IUPAC Name:{[({[(2R,3S)-3-[2-amino-4-oxo-8-(trimethylsilyl)-1,4,7,8-tetrahydropteridin-6-yl]-3-hydroxy-2-[(trimethylsilyl)oxy]propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}phosphonic acid
Derivative SMILES:C[Si](C)(C)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C)C1
Derivative InChIKey:InChIKey=AZZMEPMXTYXHHO-PWSUYJOCSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_13) - 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_13
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C)C1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file753 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available