Spectrum Details
MiMe ID:MMDBc0030343
Compound Name:dTDP-4-Dehydro-6-deoxy-L-mannose
Derivative IUPAC Name:{[(2R,3S,5R)-3-hydroxy-5-{5-methyl-2-oxo-4-[(trimethylsilyl)oxy]-1,2-dihydropyrimidin-1-yl}oxolan-2-yl]methoxy}[({[(3R,4S,6S)-6-methyl-5-oxo-3,4-bis[(trimethylsilyl)oxy]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)(OC3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C
Derivative InChIKey:InChIKey=COUAFZGUFSYZQN-KZYDANFFSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_4_32) - 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_4_32
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file783 Bytes
mzML formatted file (MZML)Download file4.64 KB
References