Spectrum Details
CDB ID:CDB004791
Compound Name:Adenosine
Derivative IUPAC Name:(2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)-4-[(trimethylsilyl)oxy]oxolan-3-ol
Derivative SMILES:C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O
Derivative InChIKey:InChIKey=IEVYRKPGWUMCAH-QYVSTXNMSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_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:C10H13N5O4
Molecular Weight (Monoisotopic Mass):267.0968 Da
Derivative Type:TMS_1_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file749 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available