Spectrum Details
MiMe ID:MMDBc0029773
Compound Name:(2,3-Dihydroxybenzoyl)adenylic acid
Derivative IUPAC Name:{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-[(trimethylsilyl)oxy]oxolan-2-yl]methoxy}[(trimethylsilyl)oxy]phosphoryl 2,3-bis[(trimethylsilyl)oxy]benzoate
Derivative SMILES:C[Si](C)(C)OC1=CC=CC(C(=O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)=C1O[Si](C)(C)C
Derivative InChIKey:InChIKey=LBTRZOKYYSFTTH-AYCQRVMASA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_4_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:C17H18N5O10P
Molecular Weight (Monoisotopic Mass):483.0791 Da
Derivative Type:TMS_4_2
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file774 Bytes
mzML formatted file (MZML)Download file4.63 KB
References