Identification of C9-C11 unsaturated aldehydes as prediction markers of growth and feed intake for non-ruminant animals fed oxidized soybean oil

Yuan, Jieyao; Kerr, Brian J.; Curry, Shelby M.; Chen, Chi

doi:10.1186/s40104-020-00451-4

Journal of Animal Science and Biotechnology

Table 3 Aldehydes and fatty acids in CSO and OSOs¹

From: Identification of C9-C11 unsaturated aldehydes as prediction markers of growth and feed intake for non-ruminant animals fed oxidized soybean oil

ID	Compounds	Formula	Derivative formula	Calculated exact mass of [M + H]⁺	Mass deviation, ppm	Boiling point, °C (predicted/reported)²	Log P-value³
I	Acrolein	C₃H₄O	C₁₂H₁₂N₃⁺	198.1031	−3.03	52.8 / 52.5	−0.01
II	2-Pentenal	C₅H₈O	C₁₄H₁₆N₃⁺	226.1344	−1.77	126.8 / 123	1.04
III	Pentanal	C₅H₁₀O	C₁₄H₁₈N₃⁺	228.1501	0.44	103.7 / 103	1.44
IV	2-Hexenal	C₆H₁₀O	C₁₅H₁₈N₃⁺	240.1501	−0.42	146.5 / 147	1.58
V	Hexanal	C₆H₁₂O	C₁₅H₂₀N₃⁺	242.1657	0.41	127.9 / 131	1.97
VI	2,4-Heptadienal	C₇H₁₀O	C₁₆H₁₈N₃⁺	252.1501	−0.40	177.4 / 177	1.59
VII	2-Heptenal	C₇H₁₂O	C₁₆H₂₀N₃⁺	254.1657	1.18	166.0 / 166	2.11
VIII	2-Octenal	C₈H₁₄O	C₁₇H₂₂N₃⁺	268.1814	0.00	190.1 / 171	2.64
IX	Octanal	C₈H₁₆O	C₁₇H₂₄N₃⁺	270.1970	−1.11	163.4 / 173	3.03
X	2,4-Nonadienal	C₉H₁₄O	C₁₈H₂₂N₃⁺	280.1814	−0.71	222.4 / 222	2.65
XI	2-Nonenal	C₉H₁₆O	C₁₈H₂₄N₃⁺	282.1970	0.35	205.0 / 189	3.17
XII	Nonanal	C₉H₁₈O	C₁₈H₂₆N₃⁺	284.2127	−0.35	190.8 / 194	3.56
XIII	4-HNE	C₉H₁₆O₂	C₁₈H₂₄N₃O⁺	298.1919	0.34	275.6 / NR⁴	1.85
XIV	2,4-Decadienal	C₁₀H₁₆O	C₁₉H₂₄N₃⁺	294.1970	1.36	244.6 / 244	3.18
XV	2-Decenal	C₁₀H₁₈O	C₁₉H₂₆N₃⁺	296.2127	0.68	230.0 / 230	3.70
XVI	2,4-Undecadienal	C₁₁H₁₈O	C₂₀H₂₆N₃⁺	308.2127	0.00	256.4 / 256	3.71
XVII	2-Undecenal	C₁₁H₂₀O	C₂₀H₂₈N₃⁺	310.2283	1.29	244.8 / 239	4.23
XVIII	Caproic acid	C₆H₁₂O₂	C₁₅H₂₀N₃O⁺	258.1606	0.00	204.6 / NR	1.84
XIX	Palmitic acid	C₁₆H₃₂O₂	C₂₅H₄₀N₃O⁺	398.3171	0.25	340.6 / NR	7.15
XX	Linoleic acid	C₁₈H₃₂O₂	C₂₇H₄₀N₃O⁺	422.3171	0.71	360.6 / NR	7.18
XXI	Oleic acid	C₁₈H₃₄O₂	C₂₇H₄₂N₃O⁺	424.3328	0.00	360.0 / NR	7.70

¹Aldehydes and fatty acids were detected by HQ derivatization and LC-MS analysis. Structural confirmation was based on accurate mass measurement (mass deviation within 5 ppm of exact mass) and authentic standard. The boiling points and octanol-water partition coefficients (logP) values of aldehydes are enlisted for the purpose of comparing their distribution in OSOs
²Predicted boiling points are from Chemspider [34]. Reported boiling points are from a previous study [35]
³LogP are from Chemspider
⁴NR: Not reported

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ISSN: 2049-1891

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