Spectrum Details
CDB ID:CDB004823
Compound Name:NADPH
Derivative IUPAC Name:{[(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-[({[({[(2R,3S,4R,5R)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[(trimethylsilyl)oxy]phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-[(trimethylsilyl)oxy]oxolan-3-yl]oxy}phosphonic acid
Derivative SMILES:C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CCC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O
Derivative InChIKey:InChIKey=UTIHEPGRQDYUOK-YEFJEIKGSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 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:C21H30N7O17P3
Molecular Weight (Monoisotopic Mass):745.0911 Da
Derivative Type:TMS_2_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CCC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file753 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available