Spectrum Details
CDB ID:CDB004798
Compound Name:Deoxyguanosine
Derivative IUPAC Name:2-amino-9-[(2R,4S,5R)-4-[(trimethylsilyl)oxy]-5-{[(trimethylsilyl)oxy]methyl}oxolan-2-yl]-6,9-dihydro-1H-purin-6-one
Derivative SMILES:C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)C[C@@H]1O[Si](C)(C)C
Derivative InChIKey:InChIKey=MWHWALNMLPOHPH-QJPTWQEYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive
Splash Key:splash10-0006-8009000000-43fe5e369133cc5b35c0
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:C16H29N5O4Si2
Molecular Weight (Monoisotopic Mass):411.176 Da
Derivative Type:2 TMS
Notes
Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)C[C@@H]1O[Si](C)(C)C)
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
Generated list of m/z values for the spectrumDownload file
mzML formatted fileDownload file
References
  1. Allen F, Pon A, Greiner R, Wishart D: Computational Prediction of Electron Ionization Mass Spectra to Assist in GC/MS Compound Identification. Anal Chem. 2016 Aug 2;88(15):7689-97. doi: 10.1021/acs.analchem.6b01622. Epub 2016 Jul 21. [PubMed: 27381172 ]