Oxygenated compounds |
acids |
10.41 |
2-methyl butanoic |
|
851 |
852 |
|
n.d. |
n.d. |
0.65 |
5.89 |
n.d. |
n.d. |
n.d. |
11 Giri, S. S.; Ryu, E. C.; Sukumaran, V.; Park, S. C.; Microb. Pathog. 2019, 132, 66.
|
10.78 |
3-methyl butanoic |
|
862 |
862 |
|
n.d. |
n.d. |
0.30 |
3.73 |
n.d. |
n.d. |
n.d. |
22 Castro, R. A.; Quecine, M. C.; Lacava, P. T.; Batista, B. D.; Luvizotto, D. M.; Marcon, J.; Ferreira, A.; Melo, I. S.; Azevedo, J. L.; SpringerPlus 2014, 3, 382.
|
31.25 |
trans-cinnamic |
|
1428 |
1435 |
|
n.d. |
n.d. |
n.d. |
n.d. |
1.37 |
n.d. |
n.d. |
33 Thatoi, H.; Behera, B. C.; Mishra, R. R.; Dutta, S. K.; Ann. Microbiol. 2013, 63, 1.
|
45.68 |
palmitoleic |
|
1941 |
1941 |
|
n.d. |
n.d. |
n.d. |
0.68 |
n.d. |
2.93 |
n.d. |
44 Bibi, F.; Ullah, I.; Alvi, S. A.; Bakhsh S. A.; Yasir, M.; Al-Ghamdi, A. A. K.; Azhar, E. I.; GMR, Genet. Mol. Res. 2017, 16, gmr16029657.
|
46.11 |
palmitic |
|
1959 |
1968 |
|
0.99 |
0.39 |
n.d. |
1.34 |
n.d. |
5.81 |
1.27 |
55 Al-Amoudi, S.; Razali, R.; Essack, M.; Amini, M. S.; Bougouffa, S.; Archer, J. A. C. A.; Lafi, F. L.; Bajic, V. B.; Gene 2016, 594, 248.
|
50.40 |
oleic |
|
2141 |
2141 |
|
n.d. |
n.d. |
n.d. |
0.24 |
n.d. |
2.06 |
n.d. |
44 Bibi, F.; Ullah, I.; Alvi, S. A.; Bakhsh S. A.; Yasir, M.; Al-Ghamdi, A. A. K.; Azhar, E. I.; GMR, Genet. Mol. Res. 2017, 16, gmr16029657.
|
subtotal acids |
|
0.99 |
0.39 |
0.95 |
11.87 |
1.37 |
10.80 |
1.27 |
|
alcohols |
12.35 |
2-heptanol |
|
908 |
904 |
|
n.d. |
0.21 |
n.d. |
0.26 |
n.d. |
0.77 |
n.d. |
66 Li, F.; Liu, S.; Lu, Q.; Zheng, H.; Osterman, I. A.; Lukyanov, D. A.; Sergiev, P. V.; Dontsova, O. A.; Liu, S.; Ye, J.; Huang, D.; Sun, C.; J. Evidence-Based Complementary Altern. Med. 2019, 1, 11.
|
41.62 |
n-pentadecanol |
|
1782 |
1772 |
|
1.86 |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
77 Wu, S.; Li, R.; Xie, S.; Shi, C.; Mar. Pollut. Bull. 2019, 140, 443.
|
44.18 |
1-hexadecanol |
|
1880 |
1875 |
|
n.d. |
n.d. |
n.d. |
n.d. |
15.99 |
n.d. |
n.d. |
88 Tyc, O.; Song, C.; Dickschat, J. S.; Vos, M.; Garbeva, P.; Trends Microbiol. 2017, 25, 280.
|
49.17 |
1-octadecanol |
|
2086 |
2081 |
|
0.19 |
n.d. |
n.d. |
n.d. |
36.63 |
0.83 |
0.41 |
99 Lateef, A.; Adelere, I. A.; Gueguim-Kana, E. B.; Biologia 2015, 70, 411.
|
50.85 |
1-nonadecanol |
|
2161 |
2176 |
|
n.d. |
n.d. |
0.16 |
n.d. |
n.d. |
n.d. |
0.75 |
1010 Ajilogba, C. F.; Babalola, O. O.; World J. Microbiol. Biotechnol. 2019, 35, 83.
|
56.16 |
ethoxyphenyl-propanol |
|
2427 |
n.f. |
|
0.99 |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
1.16 |
n.f. |
subtotal alcohols |
|
3.04 |
0.21 |
0.16 |
0.26 |
52.62 |
1.61 |
2.32 |
|
aldehydes |
14.41 |
benzaldehyde |
|
962 |
962 |
|
n.d. |
n.d. |
n.d. |
0.23 |
n.d. |
n.d. |
n.d. |
1111 Calvo, H.; Mendiara, I.; Arias, E.; Gracia, A. P.; Lanco, D.; Venturini, M. E.; Postharvest Biol. Technol. 2020, 166, 111208.
|
17.55 |
benzeneacetaldehyde |
|
1044 |
1046 |
|
n.d. |
n.d. |
n.d. |
0.20 |
n.d. |
n.d. |
n.d. |
55 Al-Amoudi, S.; Razali, R.; Essack, M.; Amini, M. S.; Bougouffa, S.; Archer, J. A. C. A.; Lafi, F. L.; Bajic, V. B.; Gene 2016, 594, 248.
|
24.13 |
benzaldehyde, 2,4-dimethyl- |
|
1215 |
1206 |
|
n.d. |
n.d. |
n.d. |
0.39 |
n.d. |
n.d. |
n.d. |
1111 Calvo, H.; Mendiara, I.; Arias, E.; Gracia, A. P.; Lanco, D.; Venturini, M. E.; Postharvest Biol. Technol. 2020, 166, 111208.
|
30.62 |
dodecanal |
|
1408 |
1411 |
|
n.d. |
n.d. |
n.d. |
0.30 |
n.d. |
n.d. |
n.d. |
1212 Abdel-Wahhab, M. A.; El-Nekeety, A. A.; Hathout, A. S.; Salman, A. S.; Abdel-Aziem, S. H.; Sabry, B. A.; Hassan, N. S.; Abdel-Aziz, M. S.; Aly, S. E.; Jaswir, I.; Toxicon 2020, 181, 57.
|
subtotal aldehydes |
|
n.d. |
n.d. |
n.d. |
1.12 |
n.d. |
n.d. |
n.d. |
|
esters |
8.99 |
butanoic acid, ethyl ester |
|
809 |
806 |
|
n.d. |
0.24 |
n.d. |
0.44 |
n.d. |
0.66 |
n.d. |
1313 Ruiz, B.; Chávez, A.; Forero, A.; García-Huante, Y.; Romero, A.; Sánchez, M.; Rocha, D.; Sánchez, B.; Rodriguez-Sanoja, R.; Sanchéz, S.; Langley, E.; Crit. Rev. Microbiol. 2010, 36, 146.
|
9.35 |
acetic acid, butyl ester |
|
820 |
815 |
|
0.18 |
0.89 |
n.d. |
1.23 |
0.25 |
2.20 |
0.53 |
1414 Dickschat, J. S.; Dobler, I. W.; Schulz, S.; J. Chem. Ecol. 2014, 31, 925.
|
11.32 |
1-butanol, 3-methyl-, acetate |
|
878 |
878 |
|
n.d. |
0.32 |
n.d. |
0.45 |
0.41 |
0.87 |
1.09 |
1515 Sun, X.; Shen, X.; Jain, R.; Lin, Y.; Wang, J.; Sun, J.; Wang, J.; Yan, Y.; Yuan, Q.; Chem. Soc. Rev. 2015, 44, 3760.
|
11.41 |
1-butanol, 2-methyl-, acetate |
|
881 |
880 |
|
n.d. |
0.11 |
n.d. |
0.16 |
n.d. |
n.d. |
0.38 |
1616 Tyc, O.; Zweers, H.; Boer, W.; Garbeva, P.; Front. Microbiol. 2015, 6, 1412.
|
44.28 |
salicylic acid, benzyl ester |
|
1884 |
1881 |
|
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
0.73 |
1717 Singh, R.; Kumar, M.; Mittal, A.; Mehta, P. K.; Biotechnology 2017, 7, 15.
|
57.86 |
monopalmitin |
|
2513 |
2520 |
|
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
1.19 |
55 Al-Amoudi, S.; Razali, R.; Essack, M.; Amini, M. S.; Bougouffa, S.; Archer, J. A. C. A.; Lafi, F. L.; Bajic, V. B.; Gene 2016, 594, 248.
|
62.05 |
sebacic acid, 2,6-dimethoxyphenyl ethyl ester |
|
2721 |
2732 |
|
12.50 |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
1818 McNeal, K. S.; Herbert, B. E.; Soil Sci. Soc. Am. 2009, 73, 579.
|
62.32 |
glutaric acid, methylbutenyl-dimethoxyphenyl ester (isomer 1) |
|
2737 |
n.f. |
|
n.d. |
6.66 |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.f. |
62.95 |
glutaric acid, methylbutenyl-dimethoxyphenyl ester (isomer 2) |
|
2772 |
n.f. |
|
n.d. |
16.52 |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.f. |
subtotal esters |
|
12.68 |
24.73 |
0.00 |
2.28 |
0.66 |
3.73 |
3.92 |
|
Oxygenated compounds |
phenols |
14.98 |
phenol |
|
977 |
979 |
|
0.30 |
0.21 |
0.16 |
1.02 |
n.d. |
1.81 |
0.40 |
1919 Seewald, M. S. A.; Singer, W.; Knapp, B. A.; Franke-Whittle, I. H.; Hansel, A.; Insam, H.; Biol. Fertil. Soils 2010, 46, 371.
|
33.91 |
2,4-di-tert-butylphenol |
|
1512 |
1512 |
|
0.20 |
0.20 |
0.21 |
1.08 |
0.33 |
1.91 |
0.31 |
2020 Schulz-Bom, K.; Martin-Sanchez, L.; Garbeva, P.; Front. Microbiol. 2017, 8, 2484.
|
40.22 |
phenol, 2-(1-phenylethyl)- |
|
1730 |
1721 |
|
n.d. |
n.d. |
0.11 |
n.d. |
n.d. |
n.d. |
n.d. |
n.f. |
subtotal phenols |
|
0.50 |
0.41 |
0.49 |
2.10 |
0.33 |
3.72 |
0.71 |
|
total of oxygenated compounds |
|
17.21 |
25.74 |
1.59 |
17.64 |
54.98 |
19.86 |
8.21 |
|
Distribution of hydrocarbons |
|
LPTRI |
|
Relative area / % |
Reference |
Class |
|
tR / min |
Name |
Experimental |
NIST |
10F2-BA |
8B1-13 |
7B4-13 |
7B3-13 |
6C2-BA |
5A3-13 |
5A1-13 |
Hydrocarbons |
aromatics |
10.95 |
ethylbenzene |
|
867 |
868 |
|
1.10 |
1.54 |
0.14 |
2.76 |
0.39 |
4.45 |
0.41 |
1616 Tyc, O.; Zweers, H.; Boer, W.; Garbeva, P.; Front. Microbiol. 2015, 6, 1412.
|
11.21 |
m-xylene |
|
875 |
874 |
|
1.95 |
1.38 |
0.24 |
3.22 |
0.54 |
5.57 |
0.51 |
2121 Schoeller, C.; Molin, S.; Wilkins, K.; Chemosphere 1997, 35, 1487.
|
11.94 |
styrene |
|
897 |
895 |
|
n.d. |
0.21 |
n.d. |
0.85 |
0.21 |
1.14 |
0.24 |
2222 Van Wezel, G. P.; Macdowall, K. J.; Nat. Prod. Rep. 2011, 28, 1311.
|
12.03 |
o-xylene |
|
900 |
898 |
|
0.66 |
0.51 |
0.08 |
1.14 |
0.18 |
2.01 |
0.21 |
2323 Pandey, A.; Naik, M. M.; Dubey, S. K.; Afr. J. Biotechnol. 2010, 9, 7134.
|
15.74 |
1,3,5-trimethyl benzene (mesithylene) |
|
997 |
996 |
|
n.d. |
n.d. |
n.d. |
0.13 |
n.d. |
n.d. |
n.d. |
1212 Abdel-Wahhab, M. A.; El-Nekeety, A. A.; Hathout, A. S.; Salman, A. S.; Abdel-Aziem, S. H.; Sabry, B. A.; Hassan, N. S.; Abdel-Aziz, M. S.; Aly, S. E.; Jaswir, I.; Toxicon 2020, 181, 57.
|
aromatics |
|
3.72 |
3.64 |
0.46 |
8.10 |
1.32 |
13.18 |
1.37 |
|
aliphatics |
18.10 |
5-methyl decane |
|
1058 |
1.056 |
|
n.d. |
n.d. |
n.d. |
0.45 |
n.d. |
n.d. |
n.d. |
44 Bibi, F.; Ullah, I.; Alvi, S. A.; Bakhsh S. A.; Yasir, M.; Al-Ghamdi, A. A. K.; Azhar, E. I.; GMR, Genet. Mol. Res. 2017, 16, gmr16029657.
|
18.31 |
2-methyl decane |
|
1064 |
1.063 |
|
n.d. |
n.d. |
n.d. |
0.18 |
n.d. |
n.d. |
n.d. |
2424 Sathiyanarayanan, G.; Gandhimathi, R.; Sabarathnam, B.; Kiran, G. S.; Selvin, J.; Bioprocess Biosyst. Eng. 2014, 37, 561.
|
19.79 |
n-undecane |
|
1102 |
1.100 |
|
n.d. |
n.d. |
n.d. |
0.26 |
n.d. |
n.d. |
n.d. |
standard, MS |
26.31 |
3-methyl-dodecane |
|
1281 |
1.274 |
|
n.d. |
n.d. |
n.d. |
0.23 |
n.d. |
n.d. |
n.d. |
2525 Ser, H. L.; Planisamy, U. D.; Yin, W. F.; Malek, S. N. A.; Chan, K. G.; Goh, B. H.; Lee, L. H.; Front. Microbiol. 2015, 6, 854.
|
36.49 |
n-hexadecane |
|
1598 |
1.600 |
|
n.d. |
n.d. |
0.11 |
n.d. |
n.d. |
n.d. |
n.d. |
standard, MS |
39.34 |
n-heptadecane |
|
1698 |
1.700 |
|
n.d. |
n.d. |
0.08 |
n.d. |
n.d. |
n.d. |
n.d. |
standard, MS |
44.62 |
n-nonadecane |
|
1898 |
1.900 |
|
n.d. |
n.d. |
0.11 |
n.d. |
n.d. |
n.d. |
n.d. |
n.f. |
47.08 |
n-eicosane |
|
1998 |
2.000 |
|
n.d. |
n.d. |
0.12 |
n.d. |
n.d. |
n.d. |
n.d. |
n.f. |
47.91 |
5-ethyl-nonadecane |
|
2033 |
2.034 |
|
n.d. |
n.d. |
0.09 |
n.d. |
n.d. |
n.d. |
n.d. |
2626 Lalitha, P.; Veena, V.; Vidhyapriya, P.; Ladshmi, P.; Krishna, R.; Sakthuvel, N.; Apoptosis 2016, 21, 566.
|
49.43 |
n-heneicosane |
|
2098 |
2.100 |
|
n.d. |
n.d. |
0.17 |
n.d. |
n.d. |
n.d. |
n.d. |
standard, MS |
51.67 |
n-docosane |
|
2198 |
2.200 |
|
n.d. |
n.d. |
0.32 |
0.19 |
n.d. |
0.44 |
n.d. |
standard, MS |
52.48 |
5-methyl-docosane |
|
2235 |
2.252 |
|
n.d. |
n.d. |
0.15 |
n.d. |
n.d. |
n.d. |
n.d. |
2424 Sathiyanarayanan, G.; Gandhimathi, R.; Sabarathnam, B.; Kiran, G. S.; Selvin, J.; Bioprocess Biosyst. Eng. 2014, 37, 561.
|
53.82 |
n-tricosane |
|
2297 |
2.300 |
|
n.d. |
n.d. |
0.15 |
0.38 |
n.d. |
0.75 |
n.d. |
standard, MS |
57.51 |
n-pentacosane |
|
2497 |
2.500 |
|
n.d. |
n.d. |
0.12 |
1.15 |
n.d. |
n.d. |
0.77 |
standard, MS |
59.23 |
n-hexacosane |
|
2597 |
2.600 |
|
n.d. |
n.d. |
0.13 |
1.50 |
n.d. |
n.d. |
1.23 |
standard, MS |
61.15 |
n-heptacosane |
|
2673 |
2.700 |
|
n.d. |
n.d. |
0.11 |
1.61 |
n.d. |
0.75 |
0.74 |
standard, MS |
63.39 |
n-octacosane |
|
2797 |
2.800 |
|
n.d. |
n.d. |
n.d. |
1.45 |
n.d. |
0.54 |
0.75 |
standard, MS |
64.04 |
squalene |
|
2817 |
2.814 |
|
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
0.29 |
2727 Manimaran, M.; Gopal, J. V.; Kannabiran, K.; Proc. Natl. Acad. Sci., India, Sect. B 2017, 87, 499.
|
65.10 |
2-methyl-octacosane |
|
2852 |
2.861 |
|
n.d. |
n.d. |
0.11 |
1.21 |
n.d. |
n.d. |
0.50 |
55 Al-Amoudi, S.; Razali, R.; Essack, M.; Amini, M. S.; Bougouffa, S.; Archer, J. A. C. A.; Lafi, F. L.; Bajic, V. B.; Gene 2016, 594, 248.
|
66.89 |
n-nonacosane |
|
2898 |
2.900 |
|
n.d. |
n.d. |
0.14 |
0.92 |
n.d. |
n.d. |
0.48 |
standard, MS |
68.90 |
n-triacontane |
|
2996 |
3.000 |
|
n.d. |
n.d. |
0.11 |
0.56 |
n.d. |
n.d. |
n.d. |
standard, MS |
aliphatics |
|
n.d. |
n.d. |
2.01 |
10.09 |
n.d. |
2.48 |
4.75 |
|
total of hydrocarbons |
|
3.72 |
3.64 |
2.47 |
18.19 |
1.32 |
15.66 |
6.13 |
|
Distribution of N-compounds |
|
LPTRI |
|
Relative area / % |
Reference |
Class |
|
tR / min |
Name |
Experimental |
NIST |
10F2-BA |
8B1-13 |
7B4-13 |
7B3-13 |
6C2-BA |
5A3-13 |
5A1-13 |
N-compounds |
amides |
16.63 |
acetamide, N-(2-methylpropyl) |
|
1020 |
1.027 |
|
n.d. |
n.d. |
n.d. |
0.64 |
n.d. |
n.d. |
n.d. |
2828 Heravi, M. M.; Zadsirjan, V.; R. Soc. Chem. 2020, 10, 44247.
|
47.82 |
pentadecanamide |
|
2029 |
2.025 |
|
0.20 |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
2929 Van Den Dool, H.; Kratz, P. D.; J. Chromatogr. A 1963, 11, 463.
|
55.23 |
9-octadecenamide |
|
2366 |
2.375 |
|
0.15 |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
3030 Jones, J. G.; Microbiology 1969, 59, 145.
|
59.84 |
heneicosanamide |
|
2697 |
n.f. |
|
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
0.96 |
n.f. |
63.19 |
tricosanamide |
|
2786 |
n.f. |
|
3.65 |
4.80 |
26.21 |
0.18 |
11.27 |
1.45 |
9.74 |
n.f. |
subtotal amides |
|
4.00 |
4.80 |
26.21 |
0.82 |
11.27 |
1.45 |
10.70 |
|
amines |
33.63 |
1-dodecanamine, N,N-dimethyl |
|
1503 |
1509 |
|
n.d. |
n.d. |
0.08 |
0.44 |
n.d. |
n.d. |
n.d. |
3131 Kim, H.; Lee, S.; Seo, J.-A.; Kim, Y.-S.; Molecules 2019, 24, 1333.
|
39.48 |
1-tetradecanamine, N,N-dimethyl |
|
1703 |
1694 |
|
1.60 |
0.30 |
0.37 |
0.32 |
n.d. |
1.55 |
n.d. |
2929 Van Den Dool, H.; Kratz, P. D.; J. Chromatogr. A 1963, 11, 463.
|
44.78 |
1-hexadecanamine, N,N-dimethyl |
|
1904 |
1894 |
|
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
1.23 |
n.d. |
2929 Van Den Dool, H.; Kratz, P. D.; J. Chromatogr. A 1963, 11, 463.
|
subtotal amines |
|
1.60 |
0.30 |
0.45 |
0.77 |
0.00 |
2.78 |
0.00 |
|
piperazinediones |
40.11 |
alkyl-C5-piperazine-2,5-dione |
|
1726 |
n.f. |
|
n.d. |
n.d. |
n.d. |
0.56 |
n.d. |
0.91 |
n.d. |
n.f. |
40.24 |
alkyl-C5-piperazine-2,5-dione |
|
1731 |
n.f. |
|
1.59 |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.f. |
40.33 |
alkyl-C5-piperazine-2,5-dione |
|
1735 |
n.f. |
|
n.d. |
n.d. |
n.d. |
0.69 |
n.d. |
1.46 |
n.d. |
n.f. |
40.45 |
alkyl-C5-piperazine-2,5-dione |
|
1739 |
n.f. |
|
1.63 |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.f. |
41.36 |
hydroxymethyl-piperazine-2,5-dione |
|
1773 |
1.772 |
|
0.42 |
0.64 |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.f. |
43.54 |
alkyl-C6-piperazine-2,5-dione |
|
1857 |
n.f. |
|
0.83 |
0.40 |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.f. |
43.77 |
alkyl-C6-piperazine-2,5-dione |
|
1865 |
n.f. |
|
n.d. |
n.d. |
0.10 |
n.d. |
n.d. |
n.d. |
n.d. |
n.f. |
45.50 |
alkyl-C7-piperazine-2,5-dione |
|
1934 |
n.f. |
|
0.83 |
n.d. |
n.d. |
16.87 |
n.d. |
1.68 |
n.d. |
n.f. |
46.30 |
alkyl-C7-piperazine-2,5-dione |
|
1966 |
n.f. |
|
n.d. |
n.d. |
4.83 |
n.d. |
n.d. |
n.d. |
n.d. |
n.f. |
46.37 |
alkyl-C7-piperazine-2,5-dione |
|
1969 |
n.f. |
|
n.d. |
n.d. |
2.28 |
n.d. |
n.d. |
n.d. |
n.d. |
n.f. |
50.71 |
C2-phenyl-piperazine-2,5-dione |
|
2155 |
n.f. |
|
1.40 |
0.71 |
n.d. |
0.61 |
n.d. |
1.36 |
n.d. |
n.f. |
51.03 |
C2-phenyl-piperazine-2,5-dione |
|
2169 |
n.f. |
|
n.d. |
n.d. |
0.65 |
n.d. |
n.d. |
n.d. |
n.d. |
n.f. |
51.27 |
C2-phenyl-piperazine-2,5-dione |
|
2179 |
n.f. |
|
0.58 |
n.d. |
n.d. |
0.36 |
n.d. |
0.60 |
0.30 |
n.f. |
51.50 |
C2-phenyl-piperazine-2,5-dione |
|
2190 |
n.f. |
|
n.d. |
0.33 |
0.26 |
n.d. |
n.d. |
n.d. |
n.d. |
n.f. |
53.36 |
C3-phenyl-piperazine-2,5-dione |
|
2293 |
n.f. |
|
0.96 |
0.61 |
0.51 |
0.37 |
n.d. |
n.d. |
6.97 |
n.f. |
55.33 |
C4-phenyl-piperazine-2,5-dione |
|
2383 |
n.f. |
|
n.d. |
0.67 |
0.69 |
n.d. |
n.d. |
n.d. |
21.07 |
n.f. |
56.18 |
C4-phenyl-piperazine-2,5-dione |
|
2412 |
n.f. |
|
n.d. |
0.58 |
4.53 |
n.d. |
n.d. |
n.d. |
n.d. |
n.f. |
61.62 |
toluyl-hydroxymethyl-piperazine- 2,5-dione |
|
2724 |
n.f. |
|
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
4.11 |
n.f. |
63.93 |
bis(toluyl)-piperazine-2,5-dione |
|
2814 |
n.f. |
|
n.d. |
0.23 |
0.19 |
n.d. |
n.d. |
n.d. |
0.31 |
n.f. |
subtotal piperazinediones |
|
8.23 |
4.17 |
14.04 |
19.46 |
n.d. |
6.01 |
32.75 |
|
Distribution of N-compounds |
|
LPTRI |
|
Relative area / % |
Reference |
Class |
|
tR / min |
Name |
Experimental |
NIST |
10F2-BA |
8B1-13 |
7B4-13 |
7B3-13 |
6C2-BA |
5A3-13 |
5A1-13 |
N-compounds |
pirazines |
12.52 |
pyrazine-2,5-dimethyl- |
|
913 |
915 |
|
n.d. |
0.99 |
n.d. |
0.70 |
n.d. |
0.68 |
0.94 |
3232 Tan, L. T.-H.; Chan, K.-G.; Pusparajah, P.; Yin, W.-F.; Khan, T. M.; Lee, L.-H.; Goh, B.-H.; BMC Microbiol. 2019, 19, 38.
|
41.14 |
C6-piperazine |
|
1764 |
n.f. |
|
1.52 |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.f. |
43.74 |
C7-piperazine |
|
1864 |
n.f. |
|
n.d. |
n.d. |
0.07 |
n.d. |
n.d. |
n.d. |
n.d. |
n.f. |
46.49 |
C8-piperazine |
|
1974 |
n.f. |
|
n.d. |
n.d. |
0.50 |
n.d. |
n.d. |
n.d. |
n.d. |
n.f. |
subtotal piperazines |
|
1.52 |
0.99 |
0.58 |
0.70 |
0.00 |
0.68 |
0.94 |
|
pirrolopyrazine |
40.86 |
hexahydro-pyrrolo-pyrazinedione |
|
1754 |
n.f. |
|
1.34 |
n.d. |
0.39 |
0.58 |
n.d. |
1.69 |
n.d. |
n.f. |
41.58 |
hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione |
|
1788 |
1795 |
|
n.d. |
0.22 |
n.d. |
n.d. |
n.d. |
0.73 |
n.d. |
3333 Donio, M. B.; Ronica, S. F.; Viji, V. T.; Velmurugan, S.; Jenifer, J. A.; Michaelbabu, M.; Citarasu, T.; Asian Pac. J. Trop. Med. 2013, 6, 876.
|
42.81 |
hexahydro-alkyl-pyrrolopyrazinedione |
|
1828 |
n.f. |
|
19.05 |
11.80 |
8.34 |
12.14 |
4.85 |
16.50 |
9.77 |
n.f. |
43.35 |
hexahydro-alkyl-pyrrolopyrazinedione |
|
1849 |
n.f. |
|
3.88 |
2.41 |
1.18 |
1.94 |
1.02 |
3.39 |
2.08 |
n.f. |
45.25 |
3-(2-methylpropyl)-hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione |
|
1923 |
1908 |
|
13.94 |
7.44 |
5.49 |
7.18 |
3.16 |
7.30 |
7.58 |
3434 Donio, M. B.; Ronica, S. F.; Viji, V. T.; Velmurugan, S.; Jenifer, J. A.; Michaelbabu, M.; Citarasu, T.; SpringerPlus 2013, 2, 149.
|
45.57 |
hexahydro-alkyl-pyrrolopyrazinedione |
|
1936 |
n.f. |
|
n.d. |
n.d. |
n.d. |
n.d. |
2.32 |
2.97 |
n.d. |
n.f. |
45.70 |
3-(2-methylphenyl)-hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione |
|
1941 |
1935 |
|
12.16 |
5.60 |
5.90 |
1.21 |
0.41 |
2.70 |
6.12 |
3535 Togashi, N.; Shiraishi, A.; Nishizaka, M.; Matsuoka, K.; Endo, K.; Hamashima, H.; Inoue, Y.; Molecules 2007, 12, 139.
|
45.92 |
hexahydro-alkyl-pyrrolopyrazinedione |
|
1950 |
n.f. |
|
2.92 |
1.76 |
7.85 |
1.52 |
0.72 |
4.24 |
3.84 |
n.f. |
53.07 |
hexahydro-alkyl-pyrrolopyrazinedione |
|
2263 |
n.f. |
|
n.d. |
n.d. |
1.14 |
n.d. |
n.d. |
n.d. |
0.64 |
n.f. |
54.44 |
hexahydro-alkylphenyl-pyrrolopyrazinedione |
|
2328 |
n.f. |
|
0.96 |
0.33 |
0.09 |
n.d. |
n.d. |
n.d. |
n.d. |
n.f. |
54.96 |
hexahydro-alkylphenyl-pyrrolopyrazinedione |
|
2352 |
n.f. |
|
9.47 |
5.67 |
5.05 |
4.67 |
2.73 |
3.91 |
0.80 |
n.f. |
56.05 |
hexahydro-alkylphenyl-pyrrolopyrazinedione |
|
2403 |
n.f. |
|
n.d. |
25.13 |
19.01 |
12.44 |
17.22 |
10.12 |
10.44 |
n.f. |
subtotal pyrrolopyrazinediones |
|
63.72 |
60.36 |
54.44 |
41.68 |
32.43 |
53.56 |
41.27 |
|
others |
41.01 |
C2-hydroxypiperidine |
|
1760 |
n.f. |
|
n.d. |
n.d. |
n.d. |
0.53 |
n.d. |
n.d. |
n.d. |
n.f. |
43.52 |
morpholinocarbonyl-imidazolidinone |
|
1855 |
n.f. |
|
n.d. |
n.d. |
0.22 |
n.d. |
n.d. |
n.d. |
n.d. |
n.f. |
44.12 |
cyanoacetyl-piperidine |
|
1878 |
n.f. |
|
n.d. |
n.d. |
n.d. |
0.23 |
n.d. |
n.d. |
n.d. |
n.f. |
subtotal others N-compounds |
|
n.d. |
n.d. |
0.22 |
0.75 |
n.d. |
n.d. |
n.d. |
|
total N-compounds |
|
79.08 |
70.62 |
95.93 |
64.17 |
43.70 |
64.48 |
85.66 |
|