Spectrum Details
MiMe ID:MMDBc0000516
Compound Name:3,4-Dihydroxyhydrocinnamic acid
Derivative IUPAC Name:trimethylsilyl 3-{4-hydroxy-3-[(trimethylsilyl)oxy]phenyl}propanoate
Derivative SMILES:C[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[Si](C)(C)C)=C1
Derivative InChIKey:InChIKey=IFGVJORECPQTKM-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_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:C9H10O4
Molecular Weight (Monoisotopic Mass):182.0579 Da
Derivative Type:TMS_2_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[Si](C)(C)C)=C1)
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