Spectrum Details
MiMe ID:MMDBc0031140
Compound Name:2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate
Derivative IUPAC Name:{[(2R,3S,4S,5S,6R)-6-{[(2R)-1,3-bis[(tert-butyldimethylsilyl)oxy]-1-oxopropan-2-yl]oxy}-5-[(tert-butyldimethylsilyl)oxy]-3,4-dihydroxyoxan-2-yl]methoxy}phosphonic acid
Derivative SMILES:CC(C)(C)[Si](C)(C)OC[C@@H](O[C@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
Derivative InChIKey:InChIKey=BEIWUGDZPWYOSB-PVNAXAEOSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_3_8) - 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:C9H17O12P
Molecular Weight (Monoisotopic Mass):348.0458 Da
Derivative Type:TBDMS_3_8
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC[C@@H](O[C@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file747 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available