The fragmentation pathway of the ions, [M-15 (CH
3)]
+ and [M-15-90 (TMSOH)]
+, of 0-trimethylsilyl (TMS) derivatives of long chain base detected by gas chromatography combined with electron-impact mass spectrometry were studied by molecular orbital calculation (AM1).
The calculation results showed that the [M-15]
+ cyclic ion was produced by the loss of one methyl radical from the TMS group of C-1 and then the [M-15-90]
+ion was produced by the loss of the TMSOH from the [M-15]
+ion.
Elucidation of the structure of the m/z 132 ion ([H
2NCHCH
2OTMS]
+) was also carried out using molecular orbital calculation (AM1).
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