Spectrum Details
CDB ID:CDB004864
Compound Name:Pseudouridine
Derivative IUPAC Name:5-[(2S,3S,4S,5R)-3-hydroxy-4-[(trimethylsilyl)oxy]-5-{[(trimethylsilyl)oxy]methyl}oxolan-2-yl]-1-(trimethylsilyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
Derivative SMILES:C[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)[C@H](O)[C@@H]1O[Si](C)(C)C
Derivative InChIKey:InChIKey=CYDFAGIGAQGCJD-FXUDXRNXSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_3_4) - 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:C9H12N2O6
Molecular Weight (Monoisotopic Mass):244.0695 Da
Derivative Type:TMS_3_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file743 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available