Fragmentation of flavonoid compounds using soft ionization mass spectrometry
Absztrakt
Seven compounds were fragmented and studied compounds using the ESI MSMS TOF under positive ion modes these compounds are flavanone compounds which are used mainly in activities and antifungal activities and also have beneficial effects such as antimicrobial antihypertensive antioxidative anti-inflammatory and insulin-sensitizing properties.
Not all the compounds were discussed because they all have similar fragmentation. Only three compounds were discussed and it is based on different discussions. The first compound is based on the fragmentation and structures obtained. The second compound is based on the explanation of each fragments, and the last compound was discussed based on the survival yield under positive ion mode.
The whole process was based under the techniques of tandem mass spectrometry. The precursor ion was fragmented to produce daughter peaks. We checked the compounds to see which would be suitable best for the discussion of this thesis by checking the mass spectrum first.
We used the Bruker software to identify all of the compounds and their fragments where the individual peaks were studied carefully and identified as fragments of the precursor ion. After the compound and its fragments where studied and under the positive ion mode that the compound was observed to have four fragment peaks. These fragment peaks were then analyzed to determine each compound formed based on their mass to charge ratio. They are then compared to the theoretical mass to charge ratio to see if the compound is accurate or not.
For the second compound discussed, the first fragment peak was observed due to the loss of the tosyl group acid from the precursor ion which ended up protonating the compound. The second fragment peek was obtained through the cleavage of the tosyl salt which causes the compound to be positively charged. The third fragment peak was obtained from the second fragment peak through the loss of methane. The 4th fragment peak was also obtained from the second fragment peak by the discharge of methanol and the last fragment speak was obtained directly from the precursor ion. All the fragment peaks analyzed and measured were accurate to their theoretical background mass to charge ratio. This was confirmed using the Bruker isotopepattern daltonics
Using the survival yield formula we calculated the survival used for compound 6 because it has the most energy levels among the studied compounds. The survival yield was calculated for every energy level and the graph was plotted in charts against the increasing collision energies for the positive ion mode. The characteristic collision energy was calculated for the compound using an interpolation method.