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Spectrum Details
T3DB ID:T3D4265
Compound Name:3-Methylglutaconic acid
Derivative IUPAC Name:(2E)-5-[(tert-butyldimethylsilyl)oxy]-3-methyl-5-oxopent-2-enoic acid
Derivative SMILES:C/C(=C\C(=O)O)CC(=O)O[Si](C)(C)C(C)(C)C
Derivative InChIKey:InChIKey=MOIBEHOESXCNPT-VQHVLOKHSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_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:C6H8O4
Molecular Weight (Monoisotopic Mass):144.0423 Da
Derivative Type:TBDMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C/C(=C\C(=O)O)CC(=O)O[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file747 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available