Spectrum Details
MiMe ID:MMDBc0030066
Compound Name:Guanosine 3'-diphosphate 5'-triphosphate
Derivative IUPAC Name:{[hydroxy({[hydroxy({[(2R,3R,4R,5R)-3-{[hydroxy({hydroxy[(trimethylsilyl)oxy]phosphoryl}oxy)phosphoryl]oxy}-5-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)-4-[(trimethylsilyl)oxy]oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid
Derivative SMILES:C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C1[NH]C(=N)N=C2O
Derivative InChIKey:InChIKey=SHVKPPIEHYQFLA-SDBHATRESA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_10) - 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:C10H18N5O20P5
Molecular Weight (Monoisotopic Mass):682.9233 Da
Derivative Type:TMS_2_10
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C1[NH]C(=N)N=C2O)
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