Spectrum Details
MiMe ID:MMDBc0030044
Compound Name:beta-D-Glucose 1-phosphate
Derivative IUPAC Name:{[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(trimethylsilyl)oxy]oxan-2-yl]oxy}phosphonic acid
Derivative SMILES:C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1O
Derivative InChIKey:InChIKey=DCHDSPYSQXZCGF-OKNNCHMLSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 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:C6H13O9P
Molecular Weight (Monoisotopic Mass):260.0297 Da
Derivative Type:TMS_1_2
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file773 Bytes
mzML formatted file (MZML)Download file4.63 KB
References