Spectrum Details
MiMe ID:MMDBc0029821
Compound Name:Biotinyl-5'-AMP
Derivative IUPAC Name:{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-[(trimethylsilyl)oxy]oxolan-2-yl]methoxy}[(trimethylsilyl)oxy]phosphoryl 5-[(4S)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate
Derivative SMILES:C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O
Derivative InChIKey:InChIKey=LHBIMFVAOJBISO-ZQFNWBTBSA-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:C20H28N7O9PS
Molecular Weight (Monoisotopic Mass):573.1407 Da
Derivative Type:TMS_2_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)O[Si](C)(C)C)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 file755 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available