Spectrum Details
CDB ID:CDB004822
Compound Name:NADP
Derivative IUPAC Name:1-[(2R,3R,4S,5R)-5-{[({[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]methyl}-3-hydroxy-4-[(trimethylsilyl)oxy]oxolan-2-yl]-3-[(trimethylsilyl)carbamoyl]-1λ⁵-pyridin-1-ylium
Derivative SMILES:C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)=C1
Derivative InChIKey:InChIKey=JVCOCQLBRAYDIX-FQJFIFGNSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_11) - 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:C21H28N7O17P3
Molecular Weight (Monoisotopic Mass):743.0755 Da
Derivative Type:TMS_2_11
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)=C1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file759 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available