The attached figure shows an enlargement of the region which can be interpreted

Question

The attached figure shows an enlargement of the region which can be interpreted to contain long chain triacylglycerols (~800-1000 m/Z). One feature is that the more intense peaks (i.e. higher relative abundance) have m/Z values separated by ±2 m/Z from neighboring intense peaks. Suggest what this may be a result of and explain the source of the “grouping” of these peaks into cluster separated by ±~28 from the neighboring clusters (particularly visible in canola and halibut oil spectra) (Hint: Z = +1 for these species).

87648 NL:4.29E3 salmon03 12 102012555 0#3-238 RT: 001.1.17 AV 236 T: ITMS +p ES E Full ms 50.00-1100 D0] 100 ild Salmon oa 848.44 898.44 82244 850 44 90452 92248 2448 932.48 894.40 916.48 840.44 802.44 NL: 1.25E4 100 Halibut ver oil halbun02 121020125550 #2.239 RT: 001.1.17 AV 238 T:ITMS +p ESI E Full ms 898 52 872.48 90048 50.00-1100 00 87448 894.48 04.4 870878.44 82048 84440 88.8244 Cod ver Oil 914.44 93044 NL:2.85E3 0002 12102012555082 239 RT:000-103 AV 238 T: ITMS + ESIE Ful ms p0o.00-1100 D0] 89644 100 848.40 87644 894.44 898 52 92244 904 44 92448 842.40 84000800 916.44 836.36 902.48 1003 Canola o brant) canola01 121026170559 #1.238 RT000-103 AV.238 T: ITMS+pES E Full ms p00.00-1100 00] 900.48 898.48 876 48 930 40 92658 848.44 870.44 820 840 80 880900 920

Explanation / Answer

Mass spectrometry (MS) is an experimental technique in chemistry that is used to assist in the identification of chemical compounds by means of fragmentation. The given figure is the Mass Spectroscopy of Triacylglycerols. The region which is given is an enlargement of the region of long chain triacylglycerols. Each spectra defines the [ M-H ] ion that was 800 m/Z larger than the molecules which are mentioned in the figure. We can see the grouping of the peaks of higher relative abundance for Wild Salmon oil, Halibut Liver oil, Cod Liver Oil and Canola. It was determined that these differences has arose from unsaturated [RCO]+ , Omega n-3 fatty acids of carbons on the DHA and EPA bonds while they contain saturated carbons of triacylglycerols.

Grouping of these peaks into Clustering of Mass Spectromtery takes advantage of this redundancy by identifying multiple spectra of the same peptides and replaces them with a single representative spectrum. The Mass Spectrometry database searches these clustered spectra results and increases number of peptide identifications as compared to regular non-clustered searches.

Omega-3 in Cod Liver Oil , Wild Salmon oil, Halibut Liver Oil, Canola Oil

The types of omega-3 found in cod live oil and other oil capsules are the same. They both contain docosahexaenoic acid, or DHA, and eicosapentaenoic acid, or EPA, which are marine sources of omega-3, in similar proportions. There is a third type of omega-3, called alpha-linolenic acid, or ALA, which is found in some vegetable products such as flaxseeds, walnuts, canola and soybean oil. DHA and EPA, both found in either cod liver oil and fish oil capsules, reduce the risk of coronary heart disease and iscemic stroke, explains the Linus Pauling Institute.

Extra Vitamins in Cod Liver Oil, Wild Salmon oil, Halibut Liver Oil, Canola Oil

The main difference between cod liver oil, Wild Salmon oil, Halibut Liver Oil and Canola Oil capsules is that they contain fat-soluble vitamins. These vitamins are stored in the liver of the fish, they are found in cod liver oil, but not in fish oil capsules. Fat-soluble vitamins can cause toxicity in excessive amounts.

Contaminants in Cod Liver Oil, Wild Salmon oil, Halibut Liver Oil, Canola Oil

Cod liver oil, Wild Salmon oil, Halibut Liver Oil, Canola Oil hold heavy degree of contamination with pollutants. The liver has many roles, including filtering different substances in the body. cod liver oil contains polychlorinated biphenyls, or PCBs, compared to other oil capsules.

Mass spectrometry (MS/MS) experiments often generate millions of spectra that can be used to identify thousands of proteins in complex samples. This approach was later improved with the MS2Grouper algorithm which was able to reduce the number of spectra that have to be searched by 20% with a reasonable trade-off of just 1% reduction in number of peptides identified when run on datasets of ? 50000 spectra.

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