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 6 Putative metabolite identification from soybean leaves upregulated under very low potassium (KVL) 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; “ND” – not detected; 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 KVL vs. KVH treatments (metabolite content is higher in KVL than KVH treatment); MS 1 and MS 2 data, chemical ontology and KEGG Pathway are available in Supplementary Data 1.
(min)				KVH-LT vs. KVL-LT				KVH-MT vs. KVL-MT			KVH-UT vs. KVL-UT
				FC	FDR		VIP	FC	FDR	VIP	FC	FDR		VIP
0.64	C4H8N2O3	L-asparagine	Amino acids					8.0	2.31E 02	1.0	16.6	3.57E	03	1.8
0.68	C4H8N4O4	Allantoic acid	Amino acids								3.3	2.86E	02	1.3
0.71	C4H4N2O2	Uracil	Pyrimidones	3.1	3.33E	03	1.7	2.1	3.85E 03	1.7	2.4	1.07E	02	1.6
0.72	C6H8O7	Citric acid	Tricarboxylic acids	2.4	6.67E	03	2.6	1.7	7.69E 03	2.6	2.0	7.14E	03	2.7
1.60	C13H16O9	Gentisic acid 2- β -D -glucoside	Benzoic acids	1.3	4.67E	02	1.0	2.6	1.15E 02	2.6	3.0	1.79E	02	2.3
4.60	C21H20O10	Genistin*	Isoflavones					1.2	5.00E 02	1.9	1.5	1.43E	02	3.7
5.03	C24H22O13	Malonyl-genistin*	Isoflavones					1.6	3.85E 02	2.6	2.9	3.21E	02	3.1
5.14	C23H22O11	Acetyl-genistin*	Isoflavones					1.6	3.08E 02	1.3	2.5	3.57E	02	1.2
5.47	C15H10O4	Daidzein*	Isoflavones	2.7	5.00E	02	1.0				16.1	4.64E	02	1.1
6.49	C15H10O5	Genistein*	Isoflavones								1.3	5.00E	02	2.4
6.51	C16H10O6	Isotrifoliol	Coumestans	2.1	4.00E	02	1.4				ND	ND		ND
6.61	C15H8O5	Coumestrol	Coumestans	2.4	3.67E	02	4.5
7.04	C16H10O6	Trifoliol	Coumestans	3.5	3.33E	02	2.3				ND			ND
8.15	C20H16O6	Unknown	Unknown	9.2	2.00E	02	1.5				ND			ND
8.40	C51H80O21	Malonyl-dHex-Hex-HexA-soyasapogenol B	Triterpenoid saponins					1.8	2.69E 02	1.1	2.6	2.50E	02	1.5
		(Pisumsaponin I)
8.50	C48H76O18	Soyasaponin Be (Dehydrosoyasaponin I)	Triterpenoid saponins					2.1	1.54E 02	1.0	2.6	2.14E	02	1.3
8.52	C21H22O5	Glyceollin IV	Pterocarpans	7.0	2.67E	02	1.3
8.95	C20H16O5	Phaseol (4-prenyl-coumestrol)	Coumestans	3.4	2.33E	02	5.2
8.98	C53H82O20	Soyasaponin β a	Triterpenoid saponins	4.9	1.33E	02	2.2	2.9	3.46E 02	2.4	2.3	3.93E	02	2.1
9.11	C54H84O21	Soyasaponin β g	Triterpenoid saponins	4.7	1.00E 02		2.1	3.0	1.92E 02	2.3	2.0	4.29E	02	1.8
12.47	C22H45O9P	Phosphatidylglycerol (16:0/0:0)	Phosphatidylglycerols	4.8	1.67E	02	1.2