You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Toxin, Toxin Target Database.
Spectrum Details
T3DB ID:T3D4275
Compound Name:Adenosine
Derivative IUPAC Name:(2R,3R,4S,5R)-2-{6-[(trimethylsilyl)amino]-9H-purin-9-yl}-5-{[(trimethylsilyl)oxy]methyl}oxolane-3,4-diol
Derivative SMILES:C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O
Derivative InChIKey:InChIKey=UIUAJJVSTLQUIM-XNIJJKJLSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 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_2_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file748 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available