Spectrum Details
MiMe ID:MMDBc0026029
Compound Name:(3R,5R)-3-(((3R,5R)-5-(((3R,5R)-3,5-dihydroxydecan oyl)oxy)-3-hydroxydecanoyl)oxy)-5-hydroxydecanoic acid
Derivative IUPAC Name:(3R,5R)-5-hydroxy-3-{[(3R,5R)-3-hydroxy-5-{[(3R,5R)-3-hydroxy-5-[(trimethylsilyl)oxy]decanoyl]oxy}decanoyl]oxy}decanoic acid
Derivative SMILES:CCCCC[C@@H](O)C[C@H](CC(=O)O)OC(=O)C[C@H](O)C[C@@H](CCCCC)OC(=O)C[C@H](O)C[C@@H](CCCCC)O[Si](C)(C)C
Derivative InChIKey:InChIKey=ONWJEAPROUBMFY-VHNXJUCRSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_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:C30H56O10
Molecular Weight (Monoisotopic Mass):576.3873 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file772 Bytes
mzML formatted file (MZML)Download file4.63 KB
References