Comprehensive study of non-volatile and volatile metabolites in five water lily species and varieties (<i>Nymphaea</i> <i>spp</i>.) using widely targeted metabolomics

Gaozhong Yang; Jialong Wei; Yannong Wu; Shenghong Chen; Cuiwei Yu; Yin Zhu; Zhi Lin; Haipeng Lv; Yuchu Chen; Gaozhong Yang; Jialong Wei; Yannong Wu; Shenghong Chen; Cuiwei Yu; Yin Zhu; Zhi Lin; Haipeng Lv; Yuchu Chen

doi:10.48130/bpr-0024-0005

Figures (6) Tables (1)

Figure 1.
Five different species and varieties of water lilies selected in this study.
Figure 2.
Overview of the non-volatile components. (a) Quantitative distribution of chemical classes of volatile compounds. (b) Number of differentiated compounds with fold change ≥ 2 or ≤ 0.5. Note: NL, N. lotus; NR, N. rubra; TD, Nymphaea 'Texas Dawn'; BB, Nymphaea 'Blue Bird'; DE, Nymphaea 'Detective Erika'.
Figure 3.
The highest fold change values of non-volatile metabolites. (a) Fold change plot of NL vs BB. (b) Fold change plot of TD vs BB. (c) Fold change plot of NR vs BB. (d) Fold change plot of DE vs BB. Note: The horizontal coordinate is the log2FC of the differentially metabolized metabolite, and the vertical coordinate is the differentially metabolized metabolite. Red represents up-regulated differentially expressed metabolites, cyan represents down-regulated differentially expressed metabolites. NL, N. lotus; NR, N. rubra; TD, Nymphaea 'Texas Dawn'; BB, Nymphaea 'Blue Bird'; DE, Nymphaea 'Detective Erika'.
Figure 4.
Overview of the volatile components. (a) Quantitative distribution of chemical classes of volatile compounds. (b) Venn plot; numbers represent the identified metabolites. (c) Relative abundance of different types of volatile compounds. Note: NL, N. lotus; NR, N. rubra; TD, Nymphaea 'Texas Dawn'; BB, Nymphaea 'Blue Bird'; DE, Nymphaea 'Detective Erika'.
Figure 5.
Molecular formulas of major volatile compounds.
Figure 6.
The partial least squares discriminant analysis (PLS-DA) of the volatile compounds. (a) Score plot of PLS-DA. (b) The loading plot of PLS-DA. (c) Variable importance in the project (VIP) plot of PLS-DA. Note: NL, N. lotus; NR, N. rubra; TD, Nymphaea 'Texas Dawn'; BB, Nymphaea 'Blue Bird'; DE, Nymphaea 'Detective Erika'.

No.	Compounds	Class	RI (ref)^[a]	RI (cal)^[b]	CAS	Ion	Odor type^[c]	Flavor^[c]	Relative content (%)
No.	Compounds	Class	RI (ref)^[a]	RI (cal)^[b]	CAS	Ion	Odor type^[c]	Flavor^[c]	BB	NL	TD	NR	DE
1	Benzyl alcohol	Alcohols	1036 ± 4	1037	100-51-6	79	Floral	Floral, rose, balsamic	0.11	4.48	6.32	8.13	23.83
2	Benzaldehyde	Aldehydes	962 ± 3	969	100-52-7	77	Fruity	Almond, burntsugar, sweet	8.10	2.13	3.17	5.22	3.91
3	Hexanal	Aldehydes	800 ± 2	801	66-25-1	41	Green	Green, fatty, leafy	0.15	0.69	0.61	3.84	0.34
4	Benzeneacetaldehyde	Aldehydes	1045 ± 4	1049	122-78-1	91	Green	Green, floral, honey	0.16	0.14	1.03	0.09	0.85
5	1,11-Dodecadiene	Alkenes	1179 ± 2	1763	5876-87-9	67	/	/	27.30	3.67	12.62	7.04	11.45
6	(E)-β-Famesene	Alkenes	1457 ± 2	1453	18794-84-8	41	Woody	Woody, citrus, herbal	18.28	0.39	0.84	0.38	1.27
7	α-Farnesene	Alkenes	1508 ± 2	1506	502-61-4	41	Woody	Citrus, herbal, neroli	14.44	0.17	10.38	0.18	16.41
8	(E)-α-Bergamotene	Alkenes	1433 ± 3	1437	13474-59-4	93	Woody	Woody	2.02	0.11	0.03	0.03	1.65
9	β-Sesquiphellandrene	Alkenes	1524 ± 2	1528	20307-83-9	69	Herbal	Herbal, fruity, woody	3.43	0.12	0.15	0.10	1.37
10	(E)-β-Ocimene	Alkenes	1049 ± 2	1048	3779-61-1	93	/	Herbal, sweet	0.01	0.03	3.89	0.04	0.01
11	2,5-Dimethoxytoluene	Aromatic compounds	1251 ± 5	1249	24599-58-4	137	/	/	0.38	56.18	0.49	12.18	0.52
12	1,4-Dimethoxybenzene	Aromatic compounds	1168 ± 9	1166	150-78-7	123	Green	Green, hay, sweet	0.05	3.62	0.02	6.63	0.02
13	Phenol	Aromatic compounds	980 ± 4	981	108-95-2	94	Phenolic	Phenolic, plastic, rubbery	0.17	0.87	0.56	1.46	0.62
14	Acetic acid	Carboxylic acids	610 ± 10	581	64-19-7	45	Acidic	Pungent, sour	3.42	2.01	2.18	0.77	1.58
15	Benzoic acid, methyl ester	Esters	1094 ± 3	1096	93-58-3	105	Phenolic	Phenolic, wintergreen, almond	0.03	0.57	0.07	1.86	0.03
16	Ethyl acetate	Esters	612 ± 5	613	141-78-6	43	Ethereal	Ethereal fruity sweet	0.38	0.39	0.14	0.00	2.06
17	Acetic acid, phenylmethyl ester	Esters	1164 ± 2	1166	140-11-4	108	Floral	Floral, fruity, jasmine	1.88	0.01	0.06	0.02	0.45
18	6-Methyl-5-heptene-2-one	Ketones	986 ± 2	984	110-93-0	43	Citrus	Citrus, green, musty	1.29	2.16	2.15	3.67	3.05
19	(E)-3-Penten-2-one	Ketones	735 ± N/A	744	3102-33-8	69	/	/	0.21	1.01	0.31	1.58	0.40
20	(E)-Geranylacetone	Ketones	1453 ± 2	1448	3796-70-1	43	Floral	Fruity, fresh, rose	2.15	0.76	0.65	0.72	1.18
21	2-Heptadecanone	Ketones	1902 ± 7	1900	2922-51-2	58	/	/	1.68	0.41	1.18	0.70	0.80
22	Dimethyl sulfide	Sulfur-containing compounds	520 ± 7	553	75-18-3	47	Sulfurous	Sulfurous, sweet corn	4.37	8.76	33.61	18.75	16.67
23	Carbon disulfide	Sulfur-containing compounds	549 ± 13	565	75-15-0	76	/	Sweet	0.55	1.17	1.96	1.29	1.39
24	Benzothiazole	Sulfur-containing compounds	1229 ± 8	1240	95-16-9	135	Sulfurous	Sulfurous, rubbery, vegetable, cooked	0.29	0.48	0.56	1.16	0.53
Total relative content (%)									90.92	91.45	83.19	77.29	90.83
RI, Retention index, Ion, Qualitative ion; ^[a] RI (ref): The RI values (median ± deviation) were the reference values for semi-standard non-polar (DB-5) column obtained from NIST 2014; ^[b]RI (cal): The RI values were calculated from C8-C40 n-alkanes; ^[c]odor type and flavor were obtained from website (www.thegoodscentscompany.com/search2.html). Note: NL, N. lotus; NR, N. rubra; TD, N. 'Texas Dawn'; BB, N. 'Blue Bird'; DE, N. 'Detective Erika'.

Table 1.

Comparison of the main volatile compounds in five water lily samples.