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Spectrum Details
T3DB ID:T3D4281
Compound Name:SAICAR
Derivative IUPAC Name:{[(2R,3S,4R,5R)-5-(5-amino-4-{[(2S)-1,4-dioxo-1,4-bis[(trimethylsilyl)oxy]butan-2-yl]carbamoyl}-1H-imidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
Derivative SMILES:C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 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:C13H19N4O12P
Molecular Weight (Monoisotopic Mass):454.0737 Da
Derivative Type:TMS_2_12
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C)
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file752 Bytes
mzML formatted file (MZML)Download file4.68 KB
Not Available