Spectrum Details
CDB ID:CDB005249
Compound Name:Xylulose 5-phosphate
Derivative IUPAC Name:(3S,4R)-5-({bis[(trimethylsilyl)oxy]phosphoryl}oxy)-1,3,4-trihydroxypentan-2-one
Derivative SMILES:C[Si](C)(C)OP(=O)(OC[C@@H](O)[C@H](O)C(=O)CO)O[Si](C)(C)C
Derivative InChIKey:InChIKey=XSGNTKSSPKKUOS-GHMZBOCLSA-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:C5H11O8P
Molecular Weight (Monoisotopic Mass):230.0192 Da
Derivative Type:TMS_2_13
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OP(=O)(OC[C@@H](O)[C@H](O)C(=O)CO)O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file741 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available