The
second module is a quadrupole mass spectrometer detector
(MS5973 N), operated in full scan mode (m/z 50–200) at
1.43 scans/s. The ionisation energy was 70 eV. The transfer line,
source, and quadrupole temperatures were set at 140, 230, and
150 C, respectively. Data were acquired and a chemometric analysis
was performed using Pirouette data analysis software (v3.11,
Infometrix Inc., Bothell, WA).