Spectrum Details
MiMe ID:MMDBc0029847
Compound Name:dTDP-D-Galactose
Derivative IUPAC Name:{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}[({[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}[(trimethylsilyl)oxy]phosphoryl)oxy]phosphinic acid
Derivative SMILES:CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O
Derivative InChIKey:InChIKey=PGTNBVGWEJHUQH-YROMYEKSSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_7) - 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:C16H26N2O16P2
Molecular Weight (Monoisotopic Mass):564.0758 Da
Derivative Type:TMS_1_7
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file751 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available