Conversion method for linear retention indices in gas chromatography acquired using n-alkanes and n-fatty acid methyl esters

doi:10.3724/SP.J.1123.2019.05018

Abstract

Abstract:

Retention index (RI) is a powerful tool for gas chromatography-based structure elucidation of various compounds. In this study, linear RIs based on n-alkanes and n-fatty acid methyl esters in different temperature programs were fitted. Nearly identical first-order linearities were acquired with different temperature programs. The linear equations were y=1.0051x+318.51 (r²=1) and y=1.0362x+562.519 (r²=1) for polar (packed with polyethylene glycol) and semi-standard non-polar (packed with 5% diphenyl/95% dimethylpolysiloxane) columns, respectively. The variables x and y in the equations stand for RIs based on n-fatty acid methyl esters and n-alkanes, respectively. The established linearity was then verified using the reference RIs collected in the NIST mass spectral library, Golm metabolite library, and Fiehnmetabolite library. The RI values converted using both the acquired equations finely matched those in the references. The established relationship between the two kinds of RIs can be used to expand the RI references and decrease the number of RI acquisition experiments.

Key words: gas chromatography (GC), retention index (RI), conversion, n-alkane, n-fatty acid methyl ester

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LI Yong, PANG Tao, SHI Junli, DENG Xiaopeng, KONG Guanghui, LU Xiuping. Conversion method for linear retention indices in gas chromatography acquired using n-alkanes and n-fatty acid methyl esters[J]. Chinese Journal of Chromatography, 2020, 38(2): 244-249.

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URL: https://www.chrom-china.com/EN/10.3724/SP.J.1123.2019.05018

https://www.chrom-china.com/EN/Y2020/V38/I2/244

Figures/Tables 4

Table 1 n-Alkane-based retention indices (RIs) of n-fatty acid methyl esters acquired using a semi-standard non-polar column with different temperature programs

Compound	Program 1	Program 2	Program 3	Program 4	Average	RSD/%	Range
Four different temperature programs were set to demonstrate the correlation. Program 1 was set as 60 ℃, held for 1 min, 5 ℃/min to 280 ℃, held for 10 min. Program 2 was set as 60 ℃, held for 1 min, 20 ℃/min to 280 ℃, held for 10 min. Program 3 was set as 60 ℃, held for 1 min, 5 ℃/min to 140 ℃, held for 10 min, 5 ℃/min to 280 ℃, held for 10 min. Program 4 was set as 60 ℃, held for 1 min, 5 ℃/min to 100 ℃, held for 10 min, 5 ℃/min to 180 ℃, held for 10 min, 5 ℃/min to 280 ℃, held for 10 min.
C5	820.6	822.5	820.6	820.5	821.1	0.12	2.0
C6	922.1	923.7	922.2	922.1	922.5	0.08	1.6
C7	1023.3	1023.9	1023.2	1022.9	1023.3	0.04	1.0
C8	1123.9	1123.9	1123.9	1119.7	1122.9	0.19	4.2
C9	1223.9	1223.7	1223.9	1219.3	1222.7	0.19	4.6
C10	1323.9	1323.5	1323.3	1328.9	1324.9	0.20	5.7
C11	1423.9	1423.9	1420.2	1426.1	1423.5	0.17	5.9
C12	1524.1	1524.1	1519.9	1525.4	1523.4	0.16	5.5
C13	1624.3	1624.4	1628.4	1624.9	1625.5	0.12	4.1
C14	1724.6	1724.9	1726.8	1722.0	1724.6	0.11	4.7
C15	1825.1	1825.4	1826.3	1821.7	1824.7	0.11	4.6
C16	1925.7	1926.4	1926.5	1923.8	1925.6	0.06	2.7
C17	2026.3	2027.0	2026.7	2029.1	2027.3	0.06	2.7
C18	2127.1	2127.1	2127.5	2128.6	2127.6	0.03	1.5
C19	2228.2	2228.4	2228.5	2229.1	2228.6	0.02	0.9
C20	2329.2	2328.8	2329.4	2329.8	2329.3	0.02	1.0
C22	2531.3	2530.5	2531.3	2531.5	2531.2	0.02	1.1
C24	2731.6	2730.5	2731.6	2731.6	2731.3	0.02	1.2

Table 1 n-Alkane-based retention indices (RIs) of n-fatty acid methyl esters acquired using a semi-standard non-polar column with different temperature programs

Compound	Program 1	Program 2	Program 3	Program 4	Average	RSD/%	Range
Four different temperature programs were set to demonstrate the correlation. Program 1 was set as 60 ℃, held for 1 min, 5 ℃/min to 280 ℃, held for 10 min. Program 2 was set as 60 ℃, held for 1 min, 20 ℃/min to 280 ℃, held for 10 min. Program 3 was set as 60 ℃, held for 1 min, 5 ℃/min to 140 ℃, held for 10 min, 5 ℃/min to 280 ℃, held for 10 min. Program 4 was set as 60 ℃, held for 1 min, 5 ℃/min to 100 ℃, held for 10 min, 5 ℃/min to 180 ℃, held for 10 min, 5 ℃/min to 280 ℃, held for 10 min.
C5	820.6	822.5	820.6	820.5	821.1	0.12	2.0
C6	922.1	923.7	922.2	922.1	922.5	0.08	1.6
C7	1023.3	1023.9	1023.2	1022.9	1023.3	0.04	1.0
C8	1123.9	1123.9	1123.9	1119.7	1122.9	0.19	4.2
C9	1223.9	1223.7	1223.9	1219.3	1222.7	0.19	4.6
C10	1323.9	1323.5	1323.3	1328.9	1324.9	0.20	5.7
C11	1423.9	1423.9	1420.2	1426.1	1423.5	0.17	5.9
C12	1524.1	1524.1	1519.9	1525.4	1523.4	0.16	5.5
C13	1624.3	1624.4	1628.4	1624.9	1625.5	0.12	4.1
C14	1724.6	1724.9	1726.8	1722.0	1724.6	0.11	4.7
C15	1825.1	1825.4	1826.3	1821.7	1824.7	0.11	4.6
C16	1925.7	1926.4	1926.5	1923.8	1925.6	0.06	2.7
C17	2026.3	2027.0	2026.7	2029.1	2027.3	0.06	2.7
C18	2127.1	2127.1	2127.5	2128.6	2127.6	0.03	1.5
C19	2228.2	2228.4	2228.5	2229.1	2228.6	0.02	0.9
C20	2329.2	2328.8	2329.4	2329.8	2329.3	0.02	1.0
C22	2531.3	2530.5	2531.3	2531.5	2531.2	0.02	1.1
C24	2731.6	2730.5	2731.6	2731.6	2731.3	0.02	1.2

Table 2 n-Alkane-based RIs of n-fatty acid methyl esters acquired using a standard polar column with different temperature programs

Compound	Program 1	Program 2	Program 3	Program 4	Average	RSD/%	Range
The temperature programs were the same as those in Table 1.
C5	1088.4	1090.8	1088.1	1087.9	1088.8	0.12	3.0
C6	1188.2	1191.7	1187.8	1187.4	1188.8	0.16	4.3
C7	1288.6	1292.6	1288.1	1287.6	1289.2	0.18	5.0
C8	1390.2	1394.9	1389.8	1388.2	1390.8	0.21	6.7
C9	1492.3	1497.5	1492.0	1488.6	1492.6	0.25	8.9
C10	1595.1	1601.3	1594.7	1590.2	1595.3	0.29	11.1
C11	1698.0	1704.8	1697.4	1694.6	1698.7	0.25	10.1
C12	1801.8	1809.0	1800.7	1797.6	1802.3	0.27	11.4
C13	1905.5	1913.4	1903.4	1901.4	1905.9	0.27	12.0
C14	2009.9	2017.9	2007.1	2006.4	2010.3	0.26	11.5
C15	2113.9	2122.2	2110.6	2109.7	2114.1	0.27	12.5
C16	2218.9	2227.6	2215.6	2213.9	2219.0	0.27	13.7
C17	2323.6	2332.5	2320.5	2318.3	2323.7	0.27	14.2
C18	2428.8	2437.8	2426.2	2426.9	2429.9	0.22	11.6
C19	2533.3	2541.5	2531.2	2530.1	2534.0	0.20	11.5
C20	2637.5	2645.2	2635.6	2634.1	2638.1	0.19	11.2
C22	2843.0	2850.2	2841.4	2839.7	2843.6	0.16	10.5
C24	3053.5	3052.4	3050.4	3049.0	3051.3	0.06	4.4

Table 2 n-Alkane-based RIs of n-fatty acid methyl esters acquired using a standard polar column with different temperature programs

Compound	Program 1	Program 2	Program 3	Program 4	Average	RSD/%	Range
The temperature programs were the same as those in Table 1.
C5	1088.4	1090.8	1088.1	1087.9	1088.8	0.12	3.0
C6	1188.2	1191.7	1187.8	1187.4	1188.8	0.16	4.3
C7	1288.6	1292.6	1288.1	1287.6	1289.2	0.18	5.0
C8	1390.2	1394.9	1389.8	1388.2	1390.8	0.21	6.7
C9	1492.3	1497.5	1492.0	1488.6	1492.6	0.25	8.9
C10	1595.1	1601.3	1594.7	1590.2	1595.3	0.29	11.1
C11	1698.0	1704.8	1697.4	1694.6	1698.7	0.25	10.1
C12	1801.8	1809.0	1800.7	1797.6	1802.3	0.27	11.4
C13	1905.5	1913.4	1903.4	1901.4	1905.9	0.27	12.0
C14	2009.9	2017.9	2007.1	2006.4	2010.3	0.26	11.5
C15	2113.9	2122.2	2110.6	2109.7	2114.1	0.27	12.5
C16	2218.9	2227.6	2215.6	2213.9	2219.0	0.27	13.7
C17	2323.6	2332.5	2320.5	2318.3	2323.7	0.27	14.2
C18	2428.8	2437.8	2426.2	2426.9	2429.9	0.22	11.6
C19	2533.3	2541.5	2531.2	2530.1	2534.0	0.20	11.5
C20	2637.5	2645.2	2635.6	2634.1	2638.1	0.19	11.2
C22	2843.0	2850.2	2841.4	2839.7	2843.6	0.16	10.5
C24	3053.5	3052.4	3050.4	3049.0	3051.3	0.06	4.4

Fig. 1 Distribution of n-alkane-based reference RIs acquired using semi-standard non-polar columns Shadow in the figure stands for average±standard deviation of the reference RIs listed in the NIST 2017 MS database.

Fig. 2 Distribution of n-alkane-based RIs acquired from references and n-fatty acid methyl ester-based RIs using standard polar columns n-Fatty acid methyl ester-based RIs were converted to n-alkane-based RIs using the following equation: y=1.0362x+562.519, where x and y stand for n-fatty acid methyl ester-based and n-alkane-based RIs, respectively. Compounds 1 to 24 stand for methyl esters of n-fatty acids C4, C5, C6, C7, C8, C9, C10, C11, C12, C13, C14, C14 : 1 (cis 9), C15, C16, C16 : 1(cis 9), C17, C18, C18 : 1 (trans 9), C18 : 2 (cis 9, 12), C19, C20, C22, C22 : 1 (cis 13), and C24, respectively.

References

1	Kovats E . Helv Chim Acta, 1958, 41 (7): 1915
2	Zellner B D A , Bicchi C , Dugo P , et al. Flavour Fragance J, 2008, 23 (5): 297
3	Vandendool H , Kratz P D . J Chromatogr, 1963, 11 (4): 463
4	Zhu Q-F , Zhang T-Y , Qin L-L , et al. Anal Chem, 2019, 91 (9): 6057
5	Veenaas C , Haglund P . J Chromatogr A, 2018, 1536: 67
6	Prodhan M A I , Sleman A A , Kim S , et al. J Anal Test, 2018, 2 (3): 263
7	Prodhan M A I , Yin X , Kim S , et al. J Chromatogr A, 2018, 1539: 62
8	Xiang Z , Liang Y Z , Hu Q N . Chinese Journal of Chromatography, 2005, 23 (2): 117
8	向铮, 梁逸曾, 胡黔楠. 色谱, 2005, 23 (2): 117
9	Wu L , Cho I K , Li Y , et al. J Chromatogr A, 2017, 1495: 57
10	Samaraweera M A , Hall L M , Hill D W , et al. Anal Chem, 2018, 90 (21): 12752
11	Rigano F , Oteri M , Russo M , et al. Anal Chem, 2018, 90 (5): 3313
12	Melo T O , Marques F A , Hansel F A . J Anal Appl Pyrolysis, 2017, 126: 332
13	Herent M F , De Bie V , Tilquin B . J Pharm Biomed Anal, 2007, 43 (3): 886
14	Lee M L , Vassilaros D L . Anal Chem, 1979, 61 (6): 768
15	Gr?bler A . J Chromatogr Sci, 1972, 10 (2): 128
16	Kind T , Wohlgemuth G , Lee D Y , et al. Anal Chem, 2009, 81 (24): 10038
17	Chen J P , Zhang J J , Wang L X , et al. Chinese Journal of Chromatography, 1996, 14 (5): 323
17	陈吉平, 张嘉捷, 王龙星, et al. 色谱, 1996, 14 (5): 323
18	Babushok V I , Linstrom P J , Reed J J , et al. J Chromatogr A, 2007, 1157 (1/2): 414
19	Fiehn O . Curr Prot Mol Biol, 2016, 114 (1): 30
20	Kopka J , Schauer N , Krueger S , et al. Bioinformatics, 2005, 21 (8): 1635
21	Boswell P G , Carr P W , Cohen J D , et al. J Chromatogr A, 2012, 1263: 179

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