Table 7Putative metabolite identification from soybean pod tissues upregulated under very low potassium (KVH) availability by UPLC-QTof-MS E

**Table 7** Putative metabolite identification from soybean pod tissues upregulated under very low potassium (KVH) availability by UPLC-QTof-MS ^E .
tR (min)	Formula	Identification	Chemical Ontology		FC	FDR		VIP
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 “*” – identified using authentic standards; 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.
		Immature Seeds
0.62	C6H9N3O2	L-histidine	Amino acids		1.8	2.50E	02	2.4
0.64	C5H10N2O3	L-glutamine	Amino acids		2.4	3.33E	02	1.4
0.65	C4H8N2O3	L-asparagine	Amino acids		1.6	4.17E	02	1.8
0.66	C18H32O15	Oligosaccharide unknown	Oligosaccharides		2.8	2.92E	02	2.3
0.66	C17H30O15	Oligosaccharide unknown	Oligosaccharides		2.1	3.75E	02	1.8
0.67	C6H12O7	Galactonic acid	Hydroxy acids		3.9	1.25E 02	1.8
0.67	C19H34O16	Ciceritol	Oligosaccharides		1.7	5.00E	02	1.3
0.69	C19H20O12	3,5-dihydroxyphenyl 1- O -(6- O -galloyl- β -D-glucopyranoside)	Oligosaccharides		1.6	1.67E 02	4.0
5.41	C15H10O4	Daidzein*	Isoflavones		1.5	2.08E	02	2.4
6.50	C15H10O5	Genistein*	Isoflavones		17.8	4.17E	03	2.8
		Pod Valves
0.64	C5H10N2O3	L-glutamine	Amino acids	2.1		2.67E 02		1.1
0.65	C4H8N2O3	L-asparagine	Amino acids	2.4		1.33E 02		2.1
0.66	C11H20O10	3- O -β -D-galactopyranosyl-L-arabinose	Monosaccharides	2.9		1.67E 02		1.3
0.68	C3H7N3O3	Ureidoglycine	Amino acids	1.9		3.67E 02		2.0
0.69	C4H8N4O4	Allantoic acid	Amino acids	1.6		2.33E 02		2.0
0.73	C4H6O5	Malic acid	Beta hydroxy acids	2.2		5.00E 02		1.2
0.74	C13H16O9	Gentisic acid 2- β -D-glucoside	Benzoic acids	2.1		6.67E 03		1.4
1.62	C13H16O9	Protocatechuic acid 4- O -β -glucoside	Benzoic acids	1.4		3.00E 02		1.5
2.34	C21H32O10	Dihydrophaseic acid 4- O -β -D-glucoside	Sesquiterpenoids	1.6		1.00E 02		2.3
3.64	C21H20O9	Daidzin*	Isoflavones	2.3		3.33E 02		1.3

Table 7 Putative metabolite identification from soybean pod tissues upregulated under very low potassium (KVH) availability by UPLC-QTof-MS ^E .

tR (min)

Formula

Identification

Chemical Ontology

FDR

VIP

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 “*” – identified using authentic standards; 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.

Immature Seeds

0.62

C6H9N3O2

L-histidine

Amino acids

1.8

2.50E

2.4

0.64

C5H10N2O3

L-glutamine

Amino acids

2.4

3.33E

1.4

0.65

C4H8N2O3

L-asparagine

Amino acids

1.6

4.17E

1.8

0.66

C18H32O15

Oligosaccharide unknown

Oligosaccharides

2.8

2.92E

2.3

0.66

C17H30O15

Oligosaccharide unknown

Oligosaccharides

2.1

3.75E

1.8

0.67

C6H12O7

Galactonic acid

Hydroxy acids

3.9

1.25E 02

1.8

0.67

C19H34O16

Ciceritol

Oligosaccharides

1.7

5.00E

1.3

0.69

C19H20O12

3,5-dihydroxyphenyl 1- O -(6- O -galloyl- β -D-glucopyranoside)

Oligosaccharides

1.6

1.67E 02

4.0

5.41

C15H10O4

Daidzein*

Isoflavones

1.5

2.08E

2.4

6.50

C15H10O5

Genistein*

Isoflavones

17.8

4.17E

2.8

Pod Valves

0.64

C5H10N2O3

L-glutamine

Amino acids

2.1

2.67E 02

1.1

0.65

C4H8N2O3

L-asparagine

Amino acids

2.4

1.33E 02

2.1

0.66

C11H20O10

3- O -β -D-galactopyranosyl-L-arabinose

Monosaccharides

2.9

1.67E 02

1.3

0.68

C3H7N3O3

Ureidoglycine

Amino acids

1.9

3.67E 02

2.0

0.69

C4H8N4O4

Allantoic acid

Amino acids

1.6

2.33E 02

2.0

0.73

C4H6O5

Malic acid

Beta hydroxy acids

2.2

5.00E 02

1.2

0.74

C13H16O9

Gentisic acid 2- β -D-glucoside

Benzoic acids

2.1

6.67E 03

1.4

1.62

C13H16O9

Protocatechuic acid 4- O -β -glucoside

Benzoic acids

1.4

3.00E 02

1.5

2.34

C21H32O10

Dihydrophaseic acid 4- O -β -D-glucoside

Sesquiterpenoids

1.6

1.00E 02

2.3

3.64

C21H20O9

Daidzin*

Isoflavones

2.3

3.33E 02

1.3

Published as part of Cotrim, Gustavo dos Santos, Silva, Deivid Metzker da, Graça, José Perez da, Junior, Adilson de Oliveira, Castro, Cesar de, Zocolo, Guilherme Julião, Lannes, Lucíola Santos, Hoffmann-Campo, Clara Beatriz (2023). Glycine max (L.) Merr. (Soybean) metabolome responses to potassium availability. Phytochemistry (113472) 205: 1-16. DOI: 10.1016/j.phytochem.2022.113472, URL: http://dx.doi.org/10.1016/j.phytochem.2022.113472 on page 7