Spectrum Details
MiMe ID:MMDBc0057125
Compound Name:1D-myo-Inositol 2-phosphate
Derivative IUPAC Name:({2,4,5-trihydroxy-3,6-bis[(trimethylsilyl)oxy]cyclohexyl}oxy)phosphonic acid
Derivative SMILES:C[Si](C)(C)OC1C(O)C(O)C(O[Si](C)(C)C)C(OP(=O)(O)O)C1O
Derivative InChIKey:InChIKey=GXRPWSUILNGBEX-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 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_2_5
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1C(O)C(O)C(O[Si](C)(C)C)C(OP(=O)(O)O)C1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file742 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available