Glycine max (L.) Merr. (Soybean) metabolome responses to potassium availability Author Cotrim, Gustavo dos Santos Author Silva, Deivid Metzker da Author Graça, José Perez da Author Junior, Adilson de Oliveira Author Castro, Cesar de Author Zocolo, Guilherme Julião Author Lannes, Lucíola Santos Author Hoffmann-Campo, Clara Beatriz text Phytochemistry 2023 113472 2023-01-31 205 1 16 http://dx.doi.org/10.1016/j.phytochem.2022.113472 journal article 10.1016/j.phytochem.2022.113472 1873-3700 8381334

Table 4 Putative metabolite identification from soybean leaves upregulated under very high potassium (KVH) availability by UPLC-QTof-MS E.

tR	Formula	Identification	Chemical Ontology	Lower Third (LT)				Medium Third (MT)				Upper Third (UT)
Metabolites were annotated by level 2.1 of the metabolomics standards initiative; t– retention time; KVL – very low K + availability; KVH – very high K + availability; R LT – lower third; MT – medium third; UT– upper third; “*” - identified using authentic standards; “–” - not significant; O2PLS-DA and S-Plot models were performed using p -value ≤ 0.05 and false discovery rate (FDR) with q -value ≤ 0.05 (Data S1); Importance variable in score projection (VIP ≥ 1.0) were considered; Fold change (FC) refers to metabolite relative intensity values between KVH vs. KVL treatments (metabolite content is higher in KVH than KVL treatment); MS 1 and MS 2 data, chemical ontology and KEGG Pathway are available in Supplementary Data 1.
(min)				KVL-LT vs. KVH-LT				KVL-MT vs. KVH-MT				KVL-UT vs. KVH-UT
				FC	FDR		VIP	FC	FDR		VIP	FC	FDR		VIP
0.66	C12H22O11	Sucrose	Carbohydrates					2.1	4.17E	02	2.2	3.3	4.00E	02	1.8
0.73	C5H10O5	D-xylose	Carbohydrates	16.1	3.57E	03	1.6	15.1	4.17E	03	1.7	11.7	3.33E	03	1.2
0.73	C4H6O5	Malic acid	Beta hydroxy acids	7.8	7.14E	03	1.2	9.9	1.25E 02		1.3	2.1	3.33E	02	0.7
3.40	C33H40O21	Kaempferol-3-glucosyl-(1 → 2)-	Flavonols	1.4	1.79E	02	2.2	1.4	3.33E	02	2.2	1.4	5.00E	02	1.1
		gentiobioside
4.35	C27H30O15	Kaempferol-3- O - α -L	Flavonols	4.9	1.07E	02	1.7	4.8	8.33E	03	2.1	5.0	4.67E	02	0.6
		rhamnopyranosyl-(1 → 6)- β -D-
		galactopyranoside
4.51	C27H30O15	Kaempferol-3- O -rutinoside	Flavonols	4.6	1.43E	02	1.8	3.5	2.50E	02	2.1	2.9	1.67E	02	1.8
5.03	C24H22O13	Malonyl-genistin*	Isoflavones	1.4	3.93E-02		2.4
6.30	C18H32O5	Trihydroxy-octadecadienoic	Fatty acids	1.3	4.64E	02	1.3	1.3	4.58E	02	1.9	1.3	4.33E	02	1.4
		acid
6.49	C15H10O5	Genistein*	Isoflavones	1.6	2.86E	02	3.0
6.61	C48H78O19	Soyasaponin Ba (V)	Triterpenoid saponins	1.4	2.14E	02	1.2					3.4	3.67E	02	1.1
8.70	C48H86O18P2	Phosphoinositide phosphate	Glycerophosphoinositol					2.4	2.92E	02	1.4	2.5	2.33E	02	1.3
			phosphates
9.57	C48H74O17	Soyasaponin γ g	Triterpenoid saponins									3.9	3.00E	02	1.5
9.90	C45H74O11	Monogalactosyldiacylglycerol	Monogalactosyldiacylglycerols	2.8	2.50E	02	2.1	8.7	1.67E 02		4.1	6.1	6.67E	03	3.7
		(18:3)
10.15	C31H58O14	Lyso-	Lyso-					2.2	2.08E	02	1.9	3.3	1.00E	02	2.7
		monogalactosyldiacylglycerols	monogalactosyldiacylglycerols
		(16:0/0:0)
11.74	C22H43O9P	Phosphatidylglycerol (16:1	Phosphatidylglycerols	1.9	3.21E	02	1.8					2.2	2.00E	02	2.4
		(9Z)/0:0)
11.90	C41H66O13	Soyasaponin Bc’ (IV)	Triterpenoid saponins	2.1	3.57E	02	1.2	2.0	3.75E	02	1.5	3.4	1.33E	02	1.8
13.64	C46H75O10P	Phosphatidylglycerol (18:2/	Phosphatidylglycerols									2.9	2.67E	02	2.0
		22:6)