Spectrum Details
MiMe ID:MMDBc0000526
Compound Name:3-Methylglutarylcarnitine
Derivative IUPAC Name:(3R)-3-{[(3S)-3-methyl-5-oxo-5-[(trimethylsilyl)oxy]pentanoyl]oxy}-4-(trimethylazaniumyl)butanoate
Derivative SMILES:C[C@@H](CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C)CC(=O)O[Si](C)(C)C
Derivative InChIKey:InChIKey=CHPAAXIURYHOEX-QWHCGFSZSA-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:C13H23NO6
Molecular Weight (Monoisotopic Mass):289.1525 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@@H](CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C)CC(=O)O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file749 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available