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Spectrum Details
HMDB ID:HMDB0259919
Compound Name:Xanthinol
Derivative IUPAC Name:Not Available
Derivative SMILES:CN(CCO[Si](C)(C)C)CC(CN1C=NC2=C1C(=O)N(C)C(=O)N2C)O[Si](C)(C)C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Xanthinol GC-MS (TMS_2_1) - 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:C13H21N5O4
Molecular Weight (Monoisotopic Mass):311.1594 Da
Derivative Type:TMS_2_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CN(CCO[Si](C)(C)C)CC(CN1C=NC2=C1C(=O)N(C)C(=O)N2C)O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file755 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available