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Spectrum Details
T3DB ID:T3D2832
Compound Name:L-Carnitine
Derivative IUPAC Name:[(2R)-3-carboxy-2-[(trimethylsilyl)oxy]propyl]trimethylazanium
Derivative SMILES:C[N+](C)(C)C[C@@H](CC(=O)O)O[Si](C)(C)C
Derivative InChIKey:InChIKey=LXKIISHLBXDCKE-SECBINFHSA-O
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:C7H15NO3
Molecular Weight (Monoisotopic Mass):161.1052 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[N+](C)(C)C[C@@H](CC(=O)O)O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file750 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available