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Spectrum Details
HMDB ID:HMDB0060875
Compound Name:Thioguanosine 5'-triphosphate
Derivative IUPAC Name:Not Available
Derivative SMILES:C[Si](C)(C)NC1=NC(=S)C2=C([NH]1)N([C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O)C=N2
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Thioguanosine 5'-triphosphate GC-MS (TMS_1_6) - 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:C10H16N5O13P3S
Molecular Weight (Monoisotopic Mass):538.9678 Da
Derivative Type:TMS_1_6
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)NC1=NC(=S)C2=C([NH]1)N([C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O)C=N2)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file749 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available