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)-2,3-dihydroxypropoxy][(trimethylsilyl)oxy]phosphoryl}oxy)(hydroxy)phosphoryl]oxy}phosphonic acid
Derivative SMILES:C[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](O)C1=NC2=C(NC1)[NH]C(N)=NC2=O)OP(=O)(O)OP(=O)(O)O
Derivative InChIKey:InChIKey=WYFXFXVNZGESIB-ZYUYBOQKSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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_1_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](O)C1=NC2=C(NC1)[NH]C(N)=NC2=O)OP(=O)(O)OP(=O)(O)O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file754 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available