Spectrum Details
CDB ID:CDB004884
Compound Name:Trehalose 6-phosphate
Derivative IUPAC Name:{[(2R,3R,4S,5R,6R)-6-{[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-bis[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-yl]oxy}-3,4,5-tris[(trimethylsilyl)oxy]oxan-2-yl]methoxy}phosphonic acid
Derivative SMILES:C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O
Derivative InChIKey:InChIKey=OVLIYNAKNIHZDZ-OTJWROPPSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_6_1) - 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:C12H23O14P
Molecular Weight (Monoisotopic Mass):422.0825 Da
Derivative Type:TMS_6_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file753 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available