Spectrum Details
CDB ID:CDB004785
Compound Name:Tetrahydrobiopterin
Derivative IUPAC Name:(6R)-2-[bis(trimethylsilyl)amino]-6-[(1R,2S)-1,2-dihydroxypropyl]-1,4,5,6,7,8-hexahydropteridin-4-one
Derivative SMILES:C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2
Derivative InChIKey:InChIKey=KDJJZDAMIWGRAT-UMNHJUIQSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 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:C9H15N5O3
Molecular Weight (Monoisotopic Mass):241.1175 Da
Derivative Type:TMS_2_12
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file758 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available