Spectrum Details
MiMe ID:MMDBc0047928
Compound Name:dTDP-4-oxo-6-deoxy-D-glucose
Derivative IUPAC Name:{[hydroxy({[(2R,3S,5R)-3-hydroxy-5-[5-methyl-2,4-dioxo-3-(trimethylsilyl)-1,2,3,4-tetrahydropyrimidin-1-yl]oxolan-2-yl]methoxy})phosphoryl]oxy}({[(2R,3R,4R,6R)-4-hydroxy-6-methyl-5-oxo-3-[(trimethylsilyl)oxy]oxan-2-yl]oxy})phosphinic acid
Derivative SMILES:CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](C)C(=O)[C@H](O)[C@H]3O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O
Derivative InChIKey:InChIKey=UXJSPPCPPYLVIU-XQZOGTKOSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_13) - 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:C16H24N2O15P2
Molecular Weight (Monoisotopic Mass):546.0652 Da
Derivative Type:TMS_2_13
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)O[C@H]3O[C@H](C)C(=O)[C@H](O)[C@H]3O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O)
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