Spectrum Details
MiMe ID:MMDBc0052849
Compound Name:ADP-5-ethyl-4-methylthiazole-2-carboxylate
Derivative IUPAC Name:trimethylsilyl 5-[2-({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-{6-[(trimethylsilyl)amino]-9H-purin-9-yl}oxolan-2-yl]methoxy}[(trimethylsilyl)oxy]phosphoryl)oxy][(trimethylsilyl)oxy]phosphoryl}oxy)ethyl]-4-methyl-1,3-thiazole-2-carboxylate
Derivative SMILES:CC1=C(CCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)SC(C(=O)O[Si](C)(C)C)=N1
Derivative InChIKey:InChIKey=RWHAVPVEYNRADB-DJHSCOBBSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_4_22) - 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:C17H22N6O12P2S
Molecular Weight (Monoisotopic Mass):596.0492 Da
Derivative Type:TMS_4_22
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file781 Bytes
mzML formatted file (MZML)Download file4.64 KB
References