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Spectrum Details
HMDB ID:HMDB0000468
Compound Name:Biopterin
Derivative IUPAC Name:Not Available
Derivative SMILES:C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C1=C[NH]C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Biopterin GC-MS (TBDMS_2_2) - 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:C9H11N5O3
Molecular Weight (Monoisotopic Mass):237.0862 Da
Derivative Type:TBDMS_2_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C1=C[NH]C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file745 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available