Chemical Characterization of Three Accessions of Brassica juncea L. Extracts from Different Plant Tissues
Abstract
:1. Introduction
2. Results and Discussion
2.1. Identification and Semi-Quantification of the Metabolite Content in B. juncea Cultivars by HPLC-PDA/ESI-MS/MS
2.2. Determination of the Volatile Content of B. juncea Accessions Using GC-FID/MS
2.3. Chemical Characterization of B. juncea DSMs
3. Materials and Methods
3.1. Chemical and Reagents
3.2. Plant Material
3.3. Seed Cake Preparation and Main Characterization
3.4. Sample Preparation
3.4.1. HPLC-PDA-MS
3.4.2. GC-FID/MS
3.5. Instrumentation
3.5.1. HPLC-PDA-MS
3.5.2. GC-FID/MS
3.6. Analytical Conditions
3.6.1. LC-PDA-MS
Construction of Calibration Curves
3.6.2. GC-FID/MS
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
References
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No | Tentative ID | λ max (nm) | tR (min) | [M−H]- | MS2 ions | (µg/100 mg DW) | ||
---|---|---|---|---|---|---|---|---|
Sample A | Sample B | Sample C | ||||||
1 | Malic Acid | 215; 260 | 1.34 | 133.0 | - | * | * | * |
2 | Citric acid | 215; 260 | 1.53 | 191.0 | - | * | * | * |
3 | Km 3-diglucoside-7-glucoside | 265; 345 | 4.20 | 771.2 | 609 | * | * | * |
4 | Feruloylglucose | 236; 285 | 13.40 | 355.2 | 193 | Nd | Nd | Nd |
5 | Qn 3-sophoroside-7-glucoside | 257; 352 | 13.90 | 787.2 | 625 | 9.73 ± 0.31 | 2.85 ± 0.64 | 3.63 ± 0.07 |
6 | Rhamnosyl-ellagic acid | 283; 313 | 14.28 | 447.0 | - | Nd | Nd | Nd |
7 | Rhamnosyl-ellagic acid | 283; 313 | 14.55 | 447.0 | - | * | * | * |
8 | Qn 3-hydroxyferuloylsophoroside-7-glucoside | 247; 335 | 15.07 | 979.2 | 625 | 65.60 ± 0.50 | 11.17 ± 2.12 | 6.60 ± 0.92 |
9 | Km 3-sophoroside-7-glucoside | 266; 343 | 15.33 | 771.2 | 609 | 5.25 ± 0.06 | 6.60 ± 0.86 | 19.05 ± 0.55 |
10 | Qn 3-caffeoylsophoroside-7-glucoside | 242; 330 | 15.77 | 949.2 | 625 | 22.04 ± 0.75 | 9.69 ± 2.32 | 5.53 ± 0.17 |
11 | Km 3-hydroxyferuloylsophoroside-7-glucoside | 232; 330 | 16.65 | 963.2 | 609 | 35.52 ± 0.07 | 8.16 ± 2.22 | 6.58 ± 0.00 |
12 | Feruloylglucose | 236; 326 | 16.88 | 355.2 | 193 | * | * | * |
13 | Km 3-caffeoyldiglucoside-7-glucoside | 233; 330 | 17.57 | 933.2 | - | 5.20 ± 0.10 | 4.91 ± 1.21 | 8.57 ± 0.04 |
14 | Qn 3-diglucoside | 256; 360 | 17.76 | 625.1 | 463; 301 | 71.75 ± 3.11 | 31.12 ± 8.80 | 40.05 ± 0.60 |
15 | Qn 3-sinapoyltriglucoside-7-glucoside | 238; 330 | 17.90 | 1155.3 | 993 | Nd | Nd | 21.86 ± 0.34 |
16 | Qn 3-sinapoyltriglucoside-7-glucoside | 245; 340 | 18.03 | 1155.3 | 993 | 49.06 ± 0.89 | 18.83 ± 3.89 | Nd |
17 | Km 3-hydroxyferuloylsophoroside-7-glucoside | 254; 338 | 18.51 | 963.2 | 625 | 35.62 ± 0.08 | 9.87 ± 2.66 | 5.93 ± 0.06 |
18 | Km 3-hydroxyferuloylsophorotrioside-7-glucoside | 268; 330 | 18.53 | 1125.3 | 963 | Nd | Nd | Nd |
19 | Km 3-sinapoylsophorotrioside-7-glucoside | 268; 330 | 18.78 | 1139.3 | 771 | Nd | 14.12 ± 3.33 | 23.17 ± 0.55 |
20 | Km 3-sinapoylsophorotrioside-7-glucoside | 268; 330 | 19.29 | 1139.3 | 771 | 1.80 ± 0.06 | 7.85 ± 2.02 | 10.72 ± 0.11 |
21 | Km 3-sinapoylsophoroside-7-glucoside | 268; 333 | 19.50 | 977.2 | 609; 815 | 18.69 ± 0.10 | 5.36 ± 1.30 | 5.29 ± 0.00 |
22 | Km 3-feruloylsophoroside-7-glucoside | 266; 341 | 20.26 | 947.2 | 609 | 72.18 ± 0.08 | 29.23 ± 8.00 | 25.17 ± 0.50 |
23 | Is 3,7-diglucoside | 252; 352 | 21.20 | 639.1 | 477; 315 | 683.62 ± 1.14 | 433.65 ± 2.94 | 644.43 ± 0.63 |
24 | Feruloyl malate | 242; 323 | 24.23 | 309.1 | - | * | * | * |
25 | Sinapic acid | 270; 326 | 24.27 | 223.1 | 179 | Nd | Nd | Nd |
26 | Sinapoyl malic acid | 240; 326 | 25.05 | 339.1 | 223 | * | * | * |
27 | Sinapoyl-feruloyl-triglucoside | 280; 325 | 25.21 | 885.3 | 499 | Nd | Nd | Nd |
28 | Sinapoyl-hydroxyferuloyl-diglucoside | 244; 330 | 29.46 | 739.2 | 515 | * | * | * |
29 | Isorhamnetin glucoside | 256; 351 | 31.94 | 477.1 | - | 48.63 ± 0.10 | 30.37 ± 8.49 | 49.87 ± 0.07 |
30 | Km glucoside | 269; 330 | 31.49 | 447.0 | - | Nd | Nd | Nd |
31 | Disapoyl-gentiobiose | 240; 330 | 33.32 | 753.2 | 529; 499 | * | * | * |
32 | Sinapoyl-feruloyl-gentiobiose | 240; 330 | 34.20 | 723.2 | 529; 499 | * | * | * |
33 | Diferuloyldiglucoside | 240; 326 | 34.82 | 693.1 | 499 | * | * | * |
34 | Trisinapoylgentiobiose | 240; 326 | 36.53 | 959.3 | 735; 529 | * | * | * |
35 | Feruoyl-disapoyl-gentiobiose | 240; 326 | 37.28 | 929.3 | 705; 511 | * | * | * |
Reference Material | Standard Curve | R2 | LoD (μg/mL) | LoQ (μg/mL) | Precision (RSD, %) |
---|---|---|---|---|---|
Qn 3-O-glucoside | y = 13,424x + 898.59 | 0.9939 | 0.013 | 0.043 | 0.41 |
Is 3-O-glucoside | y = 14,948x − 2966.9 | 0.9963 | 0.048 | 0.159 | 0.34 |
Km 3-O-glucoside | y = 17,660x – 10,681 | 0.9963 | 0.021 | 0.072 | 0.36 |
Sample A | Sample B | Sample C | |||||||
---|---|---|---|---|---|---|---|---|---|
N. | Compounds Name | Lib. Name | Id. Method | Similarity | LRI Lib | LRI Exp | Area % | Area % | Area % |
1 | Ethanoic acid | FFNSC 4.0 | MS, LRI | 98 | 661 | 665 | 4.83 | 4.18 | 4.66 |
2 | 2-Butenenitrile | W11N17 | MS, LRI | 90 | 664 | 675 | 0.27 | 0.44 | |
3 | Hydroxyacetone | FFNSC 4.0 | MS, LRI | 94 | 682 | 684 | 0.07 | Nd | 0.15 |
4 | 3-hydroxy-Pentene | FFNSC 4.0 | MS, LRI | 92 | 691 | 691 | 0.06 | Nd | 0.20 |
5 | 3-Pentenone | FFNSC 4.0 | MS, LRI | 93 | 677 | 693 | Nd | 0.45 | Nd |
6 | n-Pentanal | FFNSC 4.0 | MS, LRI | 94 | 696 | 701 | 0.52 | 0.41 | 0.40 |
7 | methyl-Thiocyanate | FFNSC 4.0 | MS, LRI | 91 | 710 | 711 | Nd | 0.54 | Nd |
8 | Propionic acid | FFNSC 4.0 | MS, LRI | 91 | 698 | 711 | 0.53 | 0.21 | 0.38 |
9 | Acetoin | FFNSC 4.0 | MS, LRI | 90 | 716 | 716 | Nd | Nd | 0.05 |
10 | Methyl propenyl ketone | FFNSC 4.0 | MS, LRI | 91 | 733 | 737 | 0.01 | 0.13 | 0.01 |
11 | dimethyl-Disulfide | FFNSC 4.0 | MS, LRI | 93 | 722 | 741 | 0.08 | Nd | 0.01 |
12 | (E)-2-Pentenal | FFNSC 4.0 | MS, LRI | 92 | 751 | 753 | 0.17 | 0.31 | 0.17 |
13 | Isobutyric acid | FFNSC 4.0 | MS, LRI | 91 | 774 | 758 | 0.07 | 0.06 | Nd |
14 | Senecionitrile | FFNSC 4.0 | MS, LRI | 93 | 756 | 760 | Nd | Nd | 0.05 |
15 | Pentyl alcohol | FFNSC 4.0 | MS, LRI | 96 | 763 | 767 | 0.13 | 0.07 | 0.05 |
16 | 2,3-Butadienol | FFNSC 4.0 | MS, LRI | 96 | 788 | 788 | 0.58 | 0.20 | 1.80 |
17 | n-Hexanal | FFNSC 4.0 | MS, LRI | 98 | 801 | 802 | 0.36 | 0.37 | 0.34 |
18 | 3-Butenoic acid | W11N17 | MS | 91 | - | 806 | Nd | 0.30 | Nd |
19 | Butyric acid | FFNSC 4.0 | MS, LRI | 93 | 818 | 808 | 0.10 | Nd | Nd |
20 | 2-methyl-Pyrazine | FFNSC 4.0 | MS, LRI | 95 | 820 | 828 | 0.07 | 0.07 | Nd |
21 | Furfural | FFNSC 4.0 | MS, LRI | 92 | 845 | 831 | 0.10 | 0.29 | 0.15 |
22 | Sclerosol | FFNSC 4.0 | MS, LRI | 96 | 827 | 841 | 0.50 | 0.04 | 0.15 |
23 | (E)-2-Hexenal | FFNSC 4.0 | MS, LRI | 95 | 850 | 852 | 0.50 | 1.76 | 0.57 |
24 | (Z)-3-Hexenol | FFNSC 4.0 | MS, LRI | 95 | 853 | 854 | 0.61 | 0.51 | 0.33 |
25 | Isovaleric acid | FFNSC 4.0 | MS, LRI | 94 | 842 | 860 | 1.02 | 0.07 | 0.17 |
26 | 2-methyl-Butyric acid | FFNSC 4.0 | MS, LRI | 89 | 881 | 867 | 0.73 | 0.21 | 0.29 |
27 | allyl-Thiocyanate | FFNSC 4.0 | MS, LRI | 94 | 865 | 869 | 0.17 | 0.24 | 0.10 |
28 | n-Hexanol | FFNSC 4.0 | MS, LRI | 91 | 867 | 869 | 0.26 | 0.20 | 0.03 |
29 | 2-propenyl-Isothiocyanate | FFNSC 4.0 | MS, LRI | 96 | 876 | 880 | 0.74 | 2.07 | 0.61 |
30 | 1-(3-methylenecyclopentyl)-Ethanone | W11N17 | MS | 91 | - | 884 | 0.47 | 0.23 | 0.34 |
31 | n-Heptanal | FFNSC 4.0 | MS, LRI | 97 | 906 | 902 | Nd | 0.17 | 0.16 |
32 | n-Pentanoic acid | FFNSC 4.0 | MS, LRI | 92 | 911 | 903 | 0.90 | 0.20 | 1.27 |
33 | 3-methyl-Crotonic acid | FFNSC 4.0 | MS, LRI | 91 | 907 | 905 | 0.12 | Nd | 0.02 |
34 | 2-butoxy-Ethanol | W11N17 | MS, LRI | 95 | 906 | 907 | 0.08 | 0.06 | Nd |
35 | 2-acetyl-Furan | FFNSC 4.0 | MS, LRI | 94 | 913 | 910 | 0.10 | 0.14 | Nd |
36 | 2(5H)-Furanone | FFNSC 4.0 | MS, LRI | 91 | 907 | 911 | Nd | Nd | 0.03 |
37 | γ-Butyrolactone | FFNSC 4.0 | MS, LRI | 95 | 910 | 912 | 0.89 | 0.45 | 0.30 |
38 | 2,5-dimethyl-Pyrazine | FFNSC 4.0 | MS, LRI | 92 | 912 | 916 | 0.33 | 0.41 | 0.09 |
39 | 1,1′-sulfonylbis-Methane | W11N17 | MS, LRI | 95 | 922 | 916 | 0.15 | 0.10 | Nd |
40 | methyl-Hexanoate | FFNSC 4.0 | MS, LRI | 92 | 922 | 924 | 0.07 | 0.03 | 0.02 |
41 | sec-butyl-Isothiocyanate | FFNSC 4.0 | MS, LRI | 96 | 929 | 929 | 0.10 | 0.03 | 0.05 |
42 | 2,7-dimethyl-Oxepine | W11N17 | MS, LRI | 88 | 944 | 931 | 0.03 | 0.02 | 0.01 |
43 | 1-butoxy-2-Propanol | W11N17 | MS, LRI | 91 | 945 | 938 | 0.02 | 0.01 | Nd |
44 | dihydro-3-methyl-2(3H)-Furanone | W11N17 | MS, LRI | 94 | 941 | 948 | 0.05 | 0.02 | Nd |
45 | γ-Pentalactone | FFNSC 4.0 | MS, LRI | 91 | 954 | 953 | 0.16 | 0.02 | 0.06 |
46 | (E)-2-Heptenal | FFNSC 4.0 | MS, LRI | 95 | 956 | 956 | 0.05 | 0.11 | 0.41 |
47 | Benzaldehyde | FFNSC 4.0 | MS, LRI | 98 | 960 | 963 | 0.54 | 0.66 | 0.23 |
48 | N-2-propenyl-Acetamide | W11N17 | MS | 94 | - | 964 | 0.11 | Nd | 0.07 |
49 | Dimethyl trisulfide | FFNSC 4.0 | MS, LRI | 97 | 969 | 970 | 0.12 | 0.12 | 0.04 |
50 | n-Heptanol | FFNSC 4.0 | MS, LRI | 92 | 970 | 970 | 0.04 | 0.02 | 0.02 |
51 | 3,5,5-trimethyl-2-Hexene | W11N17 | MS, LRI | 92 | 985 | 974 | 0.33 | 0.14 | 0.38 |
52 | 1-Octen-3-one | FFNSC 4.0 | MS, LRI | 91 | 973 | 977 | 0.03 | 0.03 | 0.12 |
53 | Vinyl amyl carbinol | FFNSC 4.0 | MS, LRI | 94 | 978 | 979 | Nd | 0.10 | Nd |
54 | 3-butenyl-Isothiocyanate | FFNSC 4.0 | MS, LRI | 91 | 978 | 980 | Nd | Nd | 0.70 |
55 | 6-methyl-Hept-5-en-2-one | FFNSC 4.0 | MS, LRI | 95 | 986 | 985 | 0.32 | 0.29 | 0.31 |
56 | 2-pentyl-Furan | FFNSC 4.0 | MS, LRI | 92 | 991 | 989 | 0.34 | 0.15 | Nd |
57 | 2,3,5-trimethyl-Pyrazine | FFNSC 4.0 | MS, LRI | 90 | 1002 | 1001 | 1.08 | 0.30 | Nd |
58 | 2-ethyl-,5-methyl-Pyrazine | FFNSC 4.0 | MS, LRI | 88 | 1005 | 1001 | Nd | 0.19 | Nd |
59 | 2-ethyl-, 6-methyl-Pyrazine | FFNSC 4.0 | MS, LRI | 91 | 1000 | 1002 | 0.47 | Nd | Nd |
60 | n-Octanal | FFNSC 4.0 | MS, LRI | 91 | 1006 | 1004 | 0.45 | 0.14 | 1.06 |
61 | (E,E)-2,4-Heptadienal | FFNSC 4.0 | MS, LRI | 95 | 1013 | 1011 | 0.04 | 0.59 | 0.82 |
62 | n-Hexanoic acid | FFNSC 4.0 | MS, LRI | 97 | 997 | 1013 | 2.45 | 0.64 | 3.09 |
63 | 2-ethenyl-6-methyl-pyrazine | W11N17 | MS, LRI | 82 | 1031 | 1020 | 0.36 | 0.54 | Nd |
64 | (Z)-3-Hexenoic acid | FFNSC 4.0 | MS, LRI | 94 | 996 | 1022 | 0.47 | 0.74 | 1.07 |
65 | 2-ethyl-Hexanol | FFNSC 4.0 | MS, LRI | 88 | 1030 | 1030 | 0.33 | 0.20 | Nd |
66 | Benzyl alcohol | FFNSC 4.0 | MS, LRI | 90 | 1040 | 1037 | 0.41 | 0.22 | 0.17 |
67 | (E)-2-Hexenoic acid | FFNSC 4.0 | MS, LRI | 90 | 1036 | 1039 | 0.34 | 0.32 | 0.05 |
68 | Oct-3-en-2-one | FFNSC 4.0 | MS, LRI | 93 | 1036 | 1040 | 0.22 | 0.18 | 0.11 |
69 | Phenylacetaldehyde | FFNSC 4.0 | MS, LRI | 97 | 1045 | 1043 | Nd | 0.51 | 0.12 |
70 | γ-Hexalactone | FFNSC 4.0 | MS, LRI | 98 | 1060 | 1054 | 0.68 | 0.11 | 0.39 |
71 | (E)-2-Octenal | FFNSC 4.0 | MS, LRI | 90 | 1058 | 1061 | 0.22 | 0.11 | 0.20 |
72 | α-Phenylethanol | FFNSC 4.0 | MS, LRI | 94 | 1064 | 1063 | 0.10 | 0.05 | 0.07 |
73 | Acetophenone | FFNSC 4.0 | MS, LRI | 91 | 1068 | 1065 | Nd | 0.12 | 0.12 |
74 | 2-acetyl-Pyrrole | FFNSC 4.0 | MS, LRI | 94 | 1060 | 1068 | 0.30 | 0.15 | 0.46 |
75 | (E,E)-3,5-Octadien-2-one | W11N17 | MS, LRI | 90 | 1073 | 1071 | 1.07 | 0.53 | 1.16 |
76 | n-Octanol | FFNSC 4.0 | MS, LRI | 92 | 1076 | 1073 | 0.35 | 0.19 | 0.44 |
77 | p-Cresol | FFNSC 4.0 | MS, LRI | 89 | 1072 | 1077 | Nd | Nd | 0.12 |
78 | 2-Pyrrolidone | FFNSC 4.0 | MS, LRI | 92 | 1070 | 1078 | 0.46 | 0.02 | Nd |
79 | 2-ethyl-, 3,6-dimethyl-pyrazine | FFNSC 4.0 | MS, LRI | 87 | 1079 | 1080 | 0.15 | 0.05 | Nd |
80 | n-Heptanoic acid | FFNSC 4.0 | MS, LRI | 88 | 1116 | 1092 | 0.90 | 0.28 | 1.06 |
81 | 3,5-Octadien-2-one | W11N17 | MS, LRI | 90 | 1091 | 1095 | 1.15 | 0.56 | 0.60 |
82 | n-Nonanal | FFNSC 4.0 | MS, LRI | 95 | 1107 | 1104 | 1.13 | 1.24 | 0.93 |
83 | 2,6-dimethyl-Cyclohexanol | W11N17 | MS, LRI | 89 | 1112 | 1113 | 2.19 | 0.27 | 0.58 |
84 | Phenethyl alcohol | FFNSC 4.0 | MS, LRI | 95 | 1113 | 1117 | 4.16 | 2.39 | 2.68 |
85 | methyl-Octanoate | FFNSC 4.0 | MS, LRI | 92 | 1125 | 1124 | 0.20 | Nd | 0.05 |
86 | Isophorone | FFNSC 4.0 | MS, LRI | 88 | 1123 | 1126 | 0.41 | 0.08 | 0.11 |
87 | 2-Heptenoic acid | W11N17 | MS | 93 | - | 1130 | Nd | Nd | 0.24 |
88 | 2-nitro-Phenol | W11N17 | MS, LRI | 96 | 1135 | 1131 | Nd | 0.16 | Nd |
89 | Benzene acetonitrile | FFNSC 4.0 | MS, LRI | 91 | 1138 | 1138 | Nd | 0.09 | Nd |
90 | Oxophorone | FFNSC 4.0 | MS, LRI | 90 | 1148 | 1147 | 0.48 | 0.18 | 0.43 |
91 | 2,3-dihydro-3,5-dihydroxy-6-methyl-4H-Pyran-4-one | W11N17 | MS, LRI | 93 | 1151 | 1148 | 0.20 | 0.16 | 0.49 |
92 | (E,Z)-2,6-Nonadienal | FFNSC 4.0 | MS, LRI | 93 | 1153 | 1152 | Nd | 0.15 | 0.48 |
93 | γ-Heptalactone | FFNSC 4.0 | MS, LRI | 91 | 1155 | 1153 | 0.05 | Nd | Nd |
94 | Menthone | FFNSC 4.0 | MS, LRI | 90 | 1158 | 1156 | Nd | 0.05 | Nd |
95 | (E)-2-Nonenal | FFNSC 4.0 | MS, LRI | 90 | 1163 | 1159 | Nd | 0.11 | 0.26 |
96 | 2,2,6-trimethyl-1,4-Cyclohexanedione | W11N17 | MS, LRI | 89 | 1183 | 1172 | 0.22 | Nd | Nd |
97 | 2,4-dimethyl-Benzaldehyde | FFNSC 4.0 | MS, LRI | 91 | 1190 | 1175 | 0.42 | 0.16 | Nd |
98 | Menthol | FFNSC 4.0 | MS, LRI | 97 | 1184 | 1178 | 0.47 | 0.22 | Nd |
99 | n-Octanoic acid | FFNSC 4.0 | MS, LRI | 95 | 1192 | 1192 | 2.33 | 1.25 | 6.63 |
100 | n-Dodecane | FFNSC 4.0 | MS, LRI | 97 | 1200 | 1200 | 0.10 | 0.13 | Nd |
101 | Safranal | FFNSC 4.0 | MS, LRI | 97 | 1201 | 1203 | 0.61 | 1.01 | 1.15 |
102 | n-Decanal | FFNSC 4.0 | MS, LRI | 96 | 1208 | 1207 | 0.29 | 0.07 | 1.80 |
103 | β-Cyclocitral | FFNSC 4.0 | MS, LRI | 90 | 1223 | 1224 | 0.74 | 0.05 | 0.34 |
104 | 3-ethyl-4-methyl-1H-Pyrrole-2,5-dione | W11N17 | MS, LRI | 92 | 1239 | 1239 | 0.88 | Nd | 1.00 |
105 | Benzenepropanenitrile | W11N17 | MS, LRI | 98 | 1244 | 1244 | 8.16 | 34.94 | 6.24 |
106 | 2-Phenethyl acetate | FFNSC 4.0 | MS, LRI | 95 | 1257 | 1257 | 0.20 | 0.10 | 0.24 |
107 | β-Cyclohomocitral | FFNSC 4.0 | MS, LRI | 90 | 1256 | 1257 | Nd | 0.12 | Nd |
108 | γ-Octalactone | FFNSC 4.0 | MS, LRI | 95 | 1263 | 1259 | 0.14 | Nd | Nd |
109 | Benzeneacetic acid | W11N17 | MS, LRI | 88 | 1262 | 1259 | Nd | Nd | 0.09 |
110 | 2-phenyl-Crotonaldehyde | FFNSC 4.0 | MS, LRI | 88 | 1272 | 1273 | 0.29 | 0.22 | Nd |
111 | 3,3-dimethyl-2,7-Octanedione | W11N17 | MS, LRI | 88 | 1290 | 1277 | 1.46 | 0.45 | 0.96 |
112 | n-Nonanoic acid | FFNSC 4.0 | MS, LRI | 96 | 1289 | 1280 | 0.48 | 0.31 | 1.18 |
113 | Menthyl acetate | FFNSC 4.0 | MS, LRI | 92 | 1290 | 1289 | Nd | 0.05 | Nd |
114 | Isobornyl acetate | FFNSC 4.0 | MS, LRI | 95 | 1287 | 1291 | 0.16 | Nd | Nd |
115 | (E)-Cinnamonitrile | FFNSC 4.0 | MS, LRI | 96 | 1294 | 1295 | 0.14 | 0.15 | 0.09 |
116 | n-Tridecane | FFNSC 4.0 | MS, LRI | 94 | 1300 | 1298 | Nd | 0.07 | Nd |
117 | 4-vinyl-Guaiacol | FFNSC 4.0 | MS, LRI | 92 | 1309 | 1314 | 0.09 | 0.31 | 0.43 |
118 | γ-Nonalactone | FFNSC 4.0 | MS, LRI | 94 | 1362 | 1364 | 0.36 | 0.10 | 0.41 |
119 | n-Decanoic acid | FFNSC 4.0 | MS, LRI | 94 | 1398 | 1368 | 0.45 | 0.24 | 2.12 |
120 | 2,6,10-trimethyl-Dodecane | W11N17 | MS, LRI | 91 | 1366 | 1376 | 0.09 | 0.37 | Nd |
121 | α-Copaene | FFNSC 4.0 | MS, LRI | 90 | 1375 | 1381 | 0.12 | Nd | Nd |
122 | 1-Tetradecene | FFNSC 4.0 | MS, LRI | 94 | 1392 | 1390 | Nd | 0.08 | Nd |
123 | n-Tetradecane | FFNSC 4.0 | MS, LRI | 95 | 1400 | 1400 | 0.42 | 0.42 | 0.70 |
124 | Vanillin | FFNSC 4.0 | MS, LRI | 88 | 1394 | 1401 | 0.21 | 0.09 | 0.12 |
125 | 6,10-dimethyl-2-Undecanone | W11N17 | MS, LRI | 94 | 1408 | 1403 | 0.35 | 0.21 | 0.19 |
126 | (E)-,α-Ionone | FFNSC 4.0 | MS, LRI | 90 | 1421 | 1422 | Nd | 0.13 | Nd |
127 | (E)-Caryophyllene | FFNSC 4.0 | MS, LRI | 95 | 1424 | 1427 | 0.96 | Nd | Nd |
128 | β-Gurjunene | FFNSC 4.0 | MS, LRI | 93 | 1437 | 1439 | 0.57 | Nd. | Nd |
129 | (E)-Geranylacetone | FFNSC 4.0 | MS, LRI | 94 | 1450 | 1449 | 0.47 | 0.73 | 0.46 |
130 | 2,6,10-Trimethyltridecane | W11N17 | MS, LRI | 93 | 1449 | 1461 | 0.26 | 0.18 | Nd |
131 | 2,6-bis(1,1-dimethylethyl)-2,5-Cyclohexadiene-1,4-dione | W11N17 | MS, LRI | 90 | 1471 | 1461 | Nd | 0.17 | Nd |
132 | 2,6-Di-tert-butyl-4-hydroxy-4-methylcyclohexa-2,5-dien-1-one | W11N17 | MS, LRI | 91 | 1475 | 1463 | 0.31 | Nd | 0.63 |
133 | Phenylethyl isothiocyanate | FFNSC 4.0 | MS, LRI | 95 | 1464 | 1470 | 0.32 | 0.25 | 0.79 |
134 | 1-chloro-Dodecane | W11N17 | MS, LRI | 92 | 1469 | 1471 | Nd | 0.10 | Nd |
135 | Dodecanol | FFNSC 4.0 | MS, LRI | 94 | 1476 | 1477 | 0.23 | Nd | 0.36 |
136 | 4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-3-en-2-one | W11N17 | MS, LRI | 93 | 1485 | 1482 | 0.41 | 0.20 | 0.23 |
137 | (E)-,β-Ionone | FFNSC 4.0 | MS, LRI | 93 | 1482 | 1485 | 2.53 | 2.44 | 0.89 |
138 | Ionone epoxide | FFNSC 4.0 | MS, LRI | 90 | 1483 | 1488 | 1.59 | 1.16 | 0.65 |
139 | 1-Pentadecene | W11N17 | MS, LRI | 96 | 1492 | 1493 | 0.91 | 0.19 | 0.56 |
140 | β-Selinene | FFNSC 4.0 | MS, LRI | 95 | 1492 | 1498 | 1.10 | Nd | Nd |
141 | n-Pentadecane | FFNSC 4.0 | MS, LRI | 96 | 1500 | 1500 | 0.26 | 0.15 | 0.35 |
142 | Unknown | - | - | - | - | - | - | - | - |
143 | 2,4-bis(1,1-dimethylethyl)-Phenol | W11N17 | MS, LRI | 92 | 1513 | 1507 | Nd | 0.09 | Nd |
144 | 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-2(4H)-Benzofuranone | W11N17 | MS, LRI | 97 | 1532 | 1544 | 8.54 | 3.64 | 6.32 |
145 | n-Dodecanoic acid | FFNSC 4.0 | MS, LRI | 92 | 1581 | 1564 | Nd | Nd | 0.29 |
146 | 3-methyl-Pentadecane | W11N17 | MS, LRI | 90 | 1570 | 1571 | 0.07 | 0.10 | 0.19 |
147 | 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate | W11N17 | MS, LRI | 91 | 1588 | 1585 | Nd | 0.17 | Nd |
148 | 2-[[[4-(4-hydroxy-4-methylpentyl)-, 3-cyclohexen-1-yl]methylene]amino]-, methyl-Benzoate | FFNSC 4.0 | MS, LRI | 97 | 1589 | 1586 | 0.22 | 0.42 | 0.27 |
149 | n-Hexadecene | FFNSC 4.0 | MS, LRI | 86 | 1593 | 1593 | 0.15 | 0.28 | 0.23 |
150 | n-Hexadecane | FFNSC 4.0 | MS, LRI | 96 | 1600 | 1601 | 0.79 | 0.38 | 0.72 |
151 | 1-butylheptyl-Benzene | W11N17 | MS, LRI | 91 | 1632 | 1633 | 0.09 | 0.06 | 0.16 |
152 | Benzophenone | FFNSC 4.0 | MS, LRI | 96 | 1627 | 1639 | 0.10 | 0.02 | 0.26 |
153 | 1-propyloctyl-Benzene | W11N17 | MS, LRI | 93 | 1643 | 1640 | 0.10 | 0.12 | 0.19 |
154 | 1,1′-oxybis-Octane | W11N17 | MS, LRI | 91 | 1659 | 1660 | Nd | 0.27 | 0.19 |
155 | β-Eudesmol | FFNSC 4.0 | MS, LRI | 89 | 1656 | 1666 | 0.58 | Nd | Nd |
156 | (Z,Z,Z)-1,8,11,14-Heptadecatetraene | W11N17 | MS, LRI | 93 | 1664 | 1667 | 0.43 | 0.19 | 0.41 |
157 | n-Heptadecane | FFNSC 4.0 | MS, LRI | 94 | 1700 | 1700 | 0.10 | 0.08 | 0.32 |
158 | Tetradecanoic acid | FFNSC 4.0 | MS, LRI | 93 | 1773 | 1761 | Nd | Nd | 0.55 |
159 | 1-ethyldecyl-Benzene | W11N17 | MS, LRI | 90 | 1766 | 1763 | 0.02 | 0.04 | Nd |
160 | 3-methyl-Heptadecane | W11N17 | MS, LRI | 92 | 1771 | 1769 | Nd | 0.13 | 0.15 |
161 | 6-Hydroxy-4,4,7a-trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one | W11N17 | MS, LRI | 90 | 1784 | 1778 | 0.02 | Nd | 0.18 |
162 | 1-Octadecene | FFNSC 4.0 | MS, LRI | 95 | 1793 | 1793 | 0.04 | 0.19 | 0.03 |
163 | n-Octadecane | FFNSC 4.0 | MS, LRI | 95 | 1800 | 1800 | 0.04 | 0.09 | 0.04 |
164 | Neophytadiene | FFNSC 4.0 | MS, LRI | 90 | 1836 | 1837 | 0.03 | Nd | 0.04 |
165 | Phytone | FFNSC 4.0 | MS, LRI | 91 | 1841 | 1839 | 2.85 | 3.77 | 1.01 |
166 | n-Nonadecane | FFNSC 4.0 | MS, LRI | 90 | 1900 | 1897 | Nd | 0.01 | Nd |
167 | methyl-7,10,13-hexadecatrienoate | W11N17 | MS | 91 | - | 1897 | 0.09 | Nd | 0.27 |
168 | 3-Methyl-2-(3,7,11-trimethyldodecyl) furan | W11N17 | MS | 92 | - | 1913 | 0.05 | 0.72 | Nd |
169 | methyl-Hexadecanoate | FFNSC 4.0 | MS, LRI | 94 | 1925 | 1926 | 0.09 | 0.05 | 0.06 |
170 | (Z,Z,Z)-7,10,13-Hexadecatrienoic acid | W11N17 | MS, LRI | 92 | 1945 | 1938 | 0.11 | Nd | Nd |
171 | n-Hexadecanoic acid | FFNSC 4.0 | MS, LRI | 91 | 1977 | 1963 | 0.41 | 0.86 | 1.16 |
172 | n-Eicosane | FFNSC 4.0 | MS, LRI | 94 | 2000 | 1997 | Nd | 0.01 | Nd |
173 | methyl-Linoleate | FFNSC 4.0 | MS, LRI | 91 | 2093 | 2094 | 0.02 | Nd | 0.01 |
174 | n-Heneicosane | FFNSC 4.0 | MS, LRI | 90 | 2100 | 2097 | Nd | 0.02 | Nd |
175 | methyl-Linolenate | FFNSC 4.0 | MS, LRI | 93 | 2098 | 2100 | 0.07 | 0.00 | 0.05 |
176 | (Z,Z)-9,12-Octadecadienoic acid | W11N17 | MS, LRI | 91 | 2133 | 2135 | 0.01 | Nd | 0.10 |
177 | (Z,Z,Z)-9,12,15-Octadecatrienoic acid | W11N17 | MS, LRI | 93 | 2139 | 2140 | 0.11 | Nd | 0.51 |
178 | n-Tetracosane | FFNSC 4.0 | MS, LRI | 89 | 2400 | 2397 | Nd | 0.00 | Nd |
179 | n-Pentacosane | FFNSC 4.0 | MS, LRI | 92 | 2500 | 2496 | Nd | 0.01 | 0.01 |
180 | n-Heptacosane | FFNSC 4.0 | MS, LRI | 92 | 2700 | 2700 | 0.01 | 0.02 | 0.03 |
Total Identified | 83.15 | 86.37 | 75.53 |
DSM | Moisture | Oil Content | Proteins | Glucosinolates | ||
---|---|---|---|---|---|---|
but-3enyl GSL | 2-propenyl GSL | 4-hydroxy-3-indolylmethylGSL | ||||
(% DW) | (% DW) | (% DW) | (µmol /g) | µmol /g) | (µmol /g) | |
Sample A | 8.3 ± 0.1 | 11.1 ± 0.1 | 44.0 ± 0.5 | 2.4 ± 0.2 | 200 ± 3 | 3.0 ± 0.7 |
Sample B | 8.8 ± 0.5 | 15.7 ± 0.2 | 37.4 ± 0.2 | 2.1 ± 0.1 | 137 ± 3 | 2.10 ± 0.04 |
Sample C | 8.3 ± 0.3 | 16.9 ± 0.1 | 36.8 ± 0.2 | 4.9 ± 0.2 | 148 ± 2 | 2.2 ± 0.2 |
Sample Availability: Samples of the compounds are not available from the authors. |
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Oulad El Majdoub, Y.; Alibrando, F.; Cacciola, F.; Arena, K.; Pagnotta, E.; Matteo, R.; Micalizzi, G.; Dugo, L.; Dugo, P.; Mondello, L. Chemical Characterization of Three Accessions of Brassica juncea L. Extracts from Different Plant Tissues. Molecules 2020, 25, 5421. https://doi.org/10.3390/molecules25225421
Oulad El Majdoub Y, Alibrando F, Cacciola F, Arena K, Pagnotta E, Matteo R, Micalizzi G, Dugo L, Dugo P, Mondello L. Chemical Characterization of Three Accessions of Brassica juncea L. Extracts from Different Plant Tissues. Molecules. 2020; 25(22):5421. https://doi.org/10.3390/molecules25225421
Chicago/Turabian StyleOulad El Majdoub, Yassine, Filippo Alibrando, Francesco Cacciola, Katia Arena, Eleonora Pagnotta, Roberto Matteo, Giuseppe Micalizzi, Laura Dugo, Paola Dugo, and Luigi Mondello. 2020. "Chemical Characterization of Three Accessions of Brassica juncea L. Extracts from Different Plant Tissues" Molecules 25, no. 22: 5421. https://doi.org/10.3390/molecules25225421