Spectrum Details
MiMe ID:MMDBc0030136
Compound Name:7-Cyano-7-carbaguanine
Derivative IUPAC Name:2-imino-1-(trimethylsilyl)-4-[(trimethylsilyl)oxy]-1H,2H,7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Derivative SMILES:C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1C(C#N)=CN2
Derivative InChIKey:InChIKey=GSJVEERKSMIXPN-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_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:C7H5N5O
Molecular Weight (Monoisotopic Mass):175.0494 Da
Derivative Type:TMS_2_2
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file768 Bytes
mzML formatted file (MZML)Download file4.63 KB
References