. The fragments formed by the cleavages amongst conjugate bonds n-7 (m
. The fragments formed by the cleavages in between conjugate bonds n-7 (m/z 264.three), n-9 (m/z 238.2), n-7 (m/z 164.two), and n-5 (m/z 138.2 low intensities but discernable in the spectrum. Exactly the same diagnostic fragments worth could theoretically be expected for any FAME with two cumulated double b arated by 1 methylene group in the third double bond. Such an arrangemen ble bonds will be, even so, clearly distinguishable since the system of cu double bonds manifests itself by abundant + 1 Da ion (Section 2.three.three.). Such an 251 or m/z 291 within this case) isn’t present in the spectrum. Thus, the spectru ure two could be unambiguously interpreted as FAME 18:3n-5,7,9.The MS/MS spectrum of punicic acid Guretolimod MedChemExpress methyl ester with 3 conjugated double bonds (FAME 18:3n-5c,7t,9c) is shown in Figure two. The major fragments inside the spectrum had been formed by cleavages prior to and right after the series of double bonds. They were very easily distinguishable from the other ions. Probably the most abundant fragments n-5 at m/z 290.2 and n-9 at m/z 190.two delimited the group of conjugated double bonds and corresponded to an MBR value of 133. The fragments formed by the cleavages in between conjugated double bonds n-7 (m/z 264.three), n-9 (m/z 238.2), n-7 (m/z 164.2), and n-5 (m/z 138.2) have been of low intensities but discernable in the spectrum. The exact same diagnostic fragments and MBR worth could theoretically be expected for a FAME with two cumulated double bonds separated by a single methylene group from the third double bond. Such an arrangement of double bonds would be, even so, clearly distinguishable since the method of cumulated double bonds manifests itself by abundant + 1 Da ion (Section 2.3.3.). Such an ion (m/z 251 or m/z 291 within this case) will not be present in the spectrum. For that reason, the spectrum in Figure 2 might be unambiguously interpreted as FAME 18:3n-5,7,9.Figure 2. APCI MS/MS CID spectrum of [M + 55]+ adduct of punicic acid methyl ester (FAME 18:3nFigure 2.MBR = 290 + 190 – 347 = 133. 5c,7t,9c); APCI MS/MS CID spectrum of [M + 55]+adduct of punicic acid methyl ester (FA5c,7t,9c); MBR = 290 + 190 – 347 = 133.two.2. Mass Spectra of Standards with a Triple BondFigure three shows the MS/MS spectrum of FAME 18:1n-9TB (stearolic acid methyl ester) [M + 55]+ adduct. The abundant fragments m/z 236.two ( n-9TB ) and m/z 192.two ( n-9TB ) clearly indicated a triple bond inside the n-9 position. As opposed to FAMEs with double bonds, the satellite fragments differed by +15 Da from TB and TB (m/z 207.1 and m/z 251.1, respectively). The intensities of the diagnostic fragments and their +15 Da satellites have been similar, permitting us to recognize these peaks within the spectrum conveniently. Such a pattern distinctly indicated a triple bond. Satellite fragments differing by +14 Da, standard for double bonds, were present at substantially lower intensities.Figure two. APCI MS/MS CID spectrum of [M + 55]+adduct of punicic acid methyl ester (FAME 18:3n5c,7t,9c); MBR = 290 + 190 – 347 = 133.Molecules 2021, 26,satellite fragments differed by +15 Da from TB and TB (m/z 207.1 and m/z 251.1, tively). The intensities of the diagnostic fragments and their +15 Da satellites have been s enabling us to recognize these peaks in the spectrum very easily. Such a pattern distin dicated a triple bond. Satellite fragments differing by +14 Da, typical 6for double of 21 have been present at substantially BSJ-01-175 MedChemExpress reduced intensities.Molecules 2021, 26,7 ofpratorum males consists of TGs with extended, diunsaturated fatty acyls, which are structurally related to satellite fragment i.
