Spectrum Details
MiMe ID:MMDBc0031997
Compound Name:Adenosine diphosphate
Derivative IUPAC Name:[({[(2S,3R,4S,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[(trimethylsilyl)oxy]phosphoryl)oxy][(trimethylsilyl)oxy]phosphinic acid
Derivative SMILES:C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H](O)[C@H]1O)O[Si](C)(C)C
Derivative InChIKey:InChIKey=PFZIXSVNVMSXTD-LFTLQSSYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 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:C10H15N5O10P2
Molecular Weight (Monoisotopic Mass):427.0294 Da
Derivative Type:TMS_2_8
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file771 Bytes
mzML formatted file (MZML)Download file4.63 KB
References