Spectrum Details
CDB ID:CDB005116
Compound Name:5,10-Methylene-THF
Derivative IUPAC Name:1,5-ditrimethylsilyl 2-({4-[(6aR)-3-amino-1-oxo-1H,2H,5H,6H,6aH,7H,8H,9H-imidazo[1,5-f]pteridin-8-yl]phenyl}formamido)pentanedioate
Derivative SMILES:C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(N2C[C@H]3CNC4=C(C(=O)[NH]C(N)=N4)N3C2)C=C1)C(=O)O[Si](C)(C)C
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive
Splash Key:splash10-001i-2129050000-80e96fb3203322200945
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:C26H39N7O6Si2
Molecular Weight (Monoisotopic Mass):601.25 Da
Derivative Type:2 TMS
Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(N2C[C@H]3CNC4=C(C(=O)[NH]C(N)=N4)N3C2)C=C1)C(=O)O[Si](C)(C)C)
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
  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 ]