Spectrum Details
MiMe ID:MMDBc0030369
Compound Name:Adenosine tetraphosphate
Derivative IUPAC Name:{[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][(trimethylsilyl)oxy]phosphoryl}oxy)[(trimethylsilyl)oxy]phosphoryl]oxy}phosphonic acid
Derivative SMILES:C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O
Derivative InChIKey:InChIKey=GCMVCUVTGFCVIH-IDJWWPJQSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_16) - 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:C10H17N5O16P4
Molecular Weight (Monoisotopic Mass):586.9621 Da
Derivative Type:TMS_2_16
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file756 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available