Spectrum Details
MiMe ID:MMDBc0029692
Compound Name:7,8-Dihydroneopterin
Derivative IUPAC Name:3-[1,8-bis(tert-butyldimethylsilyl)-2-[(tert-butyldimethylsilyl)imino]-4-hydroxy-1,2,7,8-tetrahydropteridin-6-yl]-3-[(tert-butyldimethylsilyl)oxy]propane-1,2-diol
Derivative SMILES:CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C(C)(C)C)CC(C(O[Si](C)(C)C(C)(C)C)C(O)CO)=N2)N1[Si](C)(C)C(C)(C)C
Derivative InChIKey:InChIKey=KNKSHZONAGFCCO-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_4_34) - 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:C9H13N5O4
Molecular Weight (Monoisotopic Mass):255.0968 Da
Derivative Type:TBDMS_4_34
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C(C)(C)C)CC(C(O[Si](C)(C)C(C)(C)C)C(O)CO)=N2)N1[Si](C)(C)C(C)(C)C)
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