Spectrum Details
MiMe ID:MMDBc0032908
Compound Name:Dihydrobiopterin
Derivative IUPAC Name:2-amino-3-(tert-butyldimethylsilyl)-6-(1,2-dihydroxypropyl)-3,4,7,8-tetrahydropteridin-4-one
Derivative SMILES:CC(O)C(O)C1=NC2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)NC1
Derivative InChIKey:InChIKey=CXPOJKGMGGLFCR-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_1_5) - 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:C9H13N5O3
Molecular Weight (Monoisotopic Mass):239.1018 Da
Derivative Type:TBDMS_1_5
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(O)C(O)C1=NC2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)NC1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file749 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available