Spectrum Details
MiMe ID:MMDBc0000648
Compound Name:Glycerophosphoinositol
Derivative IUPAC Name:[(2R)-2,3-dihydroxypropoxy]({[(1S,2R,3R,4S,5R,6R)-2,3,4,5-tetrakis[(tert-butyldimethylsilyl)oxy]-6-hydroxycyclohexyl]oxy})phosphinic acid
Derivative SMILES:CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](OP(=O)(O)OC[C@H](O)CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
Derivative InChIKey:InChIKey=OTLUVCFKCZLZGK-LKGJHBAFSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_4_66) - 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:C9H19O11P
Molecular Weight (Monoisotopic Mass):334.0665 Da
Derivative Type:TBDMS_4_66
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](OP(=O)(O)OC[C@H](O)CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file753 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available