1 Supplementary Information. 3 Desorption electrospray ionization mass spectrometry imaging reveals chemical
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1 Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry Supplementary Information 2 3 Desorption electrospray ionization mass spectrometry imaging reveals chemical 4 defense of Burkholderia seminalis against cacao pathogens 5 6 Francisca Diana da Silva Araújo, 1* Raquel Lopes Vieira, 1 Eddy atrícia Lopez 7 Molano, 2 Heros José Máximo, 3 Ronaldo José Durigan Dalio, 3 edro Henrique 8 Vendramini, 1 Welington Luiz de Araújo 4 and Marcos Nogueira Eberlin ThoMSon Mass Spectrometry Laboratory, Institute of Chemistry, University of 11 Campinas, B 6154, , Campinas, S, Brazil Genomic and Expression Laboratory, Department of Genetics, Evolution and Bio- 13 agents, Institute of Biology, University of Campinas, , Campinas, S, Brazil Biotechnology Laboratory, Centro de Citricultura Sylvio Moreira/Agronomic Institute, , Cordeirópolis, S, Brazil Department of Microbiology, Institute of Biomedical Sciences, University of São aulo, , São aulo, S, Brazil For correspondence. fdsaraujo@gmail.com. Fax:
2 23 Table S1. Metabolites characterized in B. seminalis strain TC3.4.2R3. m/z DESI-MSI m/z ESI-MS MS/MS fragment ions recursor ion utative assignments m/z (ppm) , 563, 156, 137 [M + H] + E(33:1) , 571, 549, 413, 164, 121 [M + Na] + E(32:1) , 683, 585, 563, 164, 121 [M + Na] + E(33:1) , 597, 575, 164, 121 [M + Na] + E(34:2) , 639, 597, 493, 315, 230, 195, 157 [M + Na] + Rha-Rha-C14-C , 653, 559, 507, 315, 267, 169 [M + Na] + Rha-Rha-C15-C , 157 [M + K] + Rha-Rha-C15-C , 155, 91 [M H] - yrrolnitrin , 409, 391, 267, 255, 153 [M H] - A(16:0/17:1) , 483, 465, 391, 295, 255, 171, 153 [M H] - G(16:0/16:0) , 483, 391, 267, 255, 171, 153 [M H] - G(16:0/17:1) , 295, 255, 171, 153 [M H] - G(19:1/16:0)
3 27 Table S2. Metabolites characterized in cacao pathogens. athogens m/z DESI-MSI m/z ESI-MS MS/MS fragment ions recursor ion utative assignments m/z (ppm) M. perniciosa , 421, 327, 290, 289, 287, 277, 191, 185, 149, 145, 127 [M + H] + C(-16:1) , 457, 439, 365, 337, 164, 121 [M + Na] + Lyso-E(18:2) , 502, 432, 385, 328, 184, 104 [M + H] + Lyso-C(18:2) , 597, 575, 164, 121 [M + Na] + E(34:2) , 184 [M + H] + C(34:2) , 721, 597, 575, 184, 147 [M + H] + C(36:5) , 645, 621, 599, 184, 147 [M + H] + C(38:7) , 452, 279, 255, 196, 140 [M H] - E(16:0/18:2) , 476, 279, 196 [M H] - E(18:2/18:2) , 671, 415, 409, 391, 279, 255, 153 [M H] - S(16:0/18:2) , 695, 433, 415, 279, 153 [M H] - S(18:2/18:2) , 553, 391, 279, 255, 241, 223, 153 [M H] - I(16:0/18:2) 3. citrophthora , 164, 157 [M + Na] + E(32:1) , 585, 563, 164, 121 [M + Na] + E(33:1) , 184, 156 [M + H] + C(34:3) 3 3
4 , 184 [M + H] + C(34:2) , 721, 597, 575, 184, 147 [M + H] + C(36:5) , 745, 621, 599, 184, 147 [M + H] + C(38:7) , 267, 255, 167, 153 [M H] - A(17:1) , 403, 253, 227, 153, 128 [M H] - G(16:1) , 415, 403, 339, 315, 279, 255, 241, 153, 131 [M H] - I(18:2) , 483, 391, 267, 255, 171, 153 [M H] - G(16:0/17:1) , 403, 279, 267, 253, 241, 223, 157, 139, 113 [M H] - G(17:1/17:1) and/or G(16:1/18:2) 6. capsici , 474, 456, 236, 164 [M + Na] + E(32:1) , 585, 563, 164, 121 [M + Na] + E(33:1)
5 31 32 Figure S1. DESI(+)-MSI of B. seminalis grown on DA medium for 48 h. 5
6 Figure S2. DESI(-)-MSI of B. seminalis grown on DA medium for 48 h. 36 6
7 704 H H -141 NH 2 [E(33:1) + H] Figure S3. ESI(+)-MS/MS of the metabolite of m/z 704 from B. seminalis
8 Na 712 H H NH RCH/C16:0 [E(32:1) + Na] Na 726 H H NH RCH/C16: RCH/C17: [E(33:1) + Na] + 42 Na 738 H H NH [E(34:2) + Na] RCH/C18: RCH/C16: Figure S4. ESI(+)-MS/MS of the metabolites of m/z 712, 726, and 738 from B. seminalis. 45 8
9 Cl 254 N 2 Cl NH Chemical Formula: C 10 H 6 Cl 2 N 2 2 Exact Mass: [R 1 C] - C16:0 AF [C 3 H 5 3 H] - [R 2 C] - C17:1 AF -R 2 CH -R 2 CH=C= A(16:0/17:1) [M H] Figure S5. ESI(+)-MS/MS of the metabolites of m/z 254 and 659 from B. seminalis
10 721 [RC] - C16:0 AF [C 3 H 5 3 H] - C 3 H 6 2 [C 3 H H] RCH -R CH=C= G(16:0/16:0) [M H] [R 2 C] - C17:1 FA [R 1 C] - C16:0 AF G(16:0/17:1) [M H] - [C 3 H 5 3 H] - C 3 H 6 2 [C 3 H H] R 2 CH -R 2 CH=C= [R 1 C] - C16:0 AF [R 2 C] - C19:1 AF [C 3 H 5 3 H] - [C 3 H H] - G(19:1/16:0) [M H] Figure S6. ESI(+)-MS/MS of the metabolite of m/z 721, 733, and 761 from B. seminalis. m/z H H m/z H H H H.Na + m/z 315 m/z 169 m/z
11 m/z 507 m/z 559 H.Na H H m/z 315 C 12 H 25 C 11 H 23 m/z 653 m/z 187 Chemical Formula: C 41 H 76 Na 13 + H m/z 169 Exact Mass: H H Figure S7. ESI(+)-MS/MS of the metabolite of m/z 785 and 799 from B. seminalis. 11
12 62 63 Figure S8. DESI(+)-MSI of M. perniciosa grown on DA medium for 48 h
13 66 67 Figure S9. DESI(-)-MSI of M. perniciosa grown on DA medium for 48 h
14 70 71 Figure S10. DESI(+)-MSI of. citrophthora grown on DA medium for 24 h
15 73 74 Figure S11. DESI(-)-MSI of. citrophthora grown on DA medium for 24 h. 15
16 75 76 Figure S12. DESI(+)-MSI of. capsici grown on DA medium for 12 h. 16
17 77 78 Figure S13. DESI(-)-MSI of. capsici grown on DA medium for 12 h. 17
18 79 80 Figure S14. DESI(+)-MSI of. palmivora grown on DA medium for 48 h
19 82 83 Figure S15. DESI(-)-MSI of. palmivora grown on DA medium for 48 h H N -43 Lyso-E [M + Na] + Na -43 H H NH [E(34:2) + Na] + Na H H NH Figure S16. ESI(+)-MS/MS of the metabolite of m/z 500 and 738 of M. perniciosa. 19
20 88 89 H H N C(-C16:1) [M + H] Figure S17. ESI(+)-MS/MS of the metabolite of m/z 480 of M. perniciosa. 20
21 H H N 520 H N Lyso-C(18:2) [M + H] + 97 H H N 758 H H [C(34:2) + H] H H N [C(36:5) + H] Figure S18. ESI(+)-MS/MS of the metabolites of m/z 520, 758, and 780 of M. perniciosa. 21
22 804 H H N [C(38:7) + H] Figure S19. ESI(+)-MS/MS of the metabolite of m/z 804 of M. perniciosa. 758 [R 1 C] - [M H 87 - R 2 CH] - C16:0 FA [M H 87 R - 87 [C 3 H 5 3 H] - 2 CH=C=] - [R 2 C] - [M H 87 R C18:2 FA 1 CH] - [M H 87 R 1 CH=C=] - S(16:0/18:2) [M H] [M H 87 - RCH] - [RC] - S(18:2/18:2) C18:2 FA [M H] - [C 3 H 5 3 H] - [M H 87 R CH=C=] Figure S20. ESI(-)-MS/MS of the metabolites of m/z 758 and 738 of M. perniciosa. 22
23 714 [R 2 C] - C18:2 FA [R 2 C] - C16:2 FA E(16:0/18:2) [M H] [RC] - C18:2 FA [C 3 H 5 3 H] - E(18:2/18:2) [M H] [R 2 C] - C16:2 FA [R 2 C] - C18:2 FA 833 H H H H H I(16:0/18:2) [M H] Figure S21. ESI(-)-MS/MS of the metabolites of m/z 714, 782, and 833 of M. perniciosa. 23
24 712 [E(32:1) + Na] + Na H H NH Na 726 H H NH 2 [E(33:1)+Na] H H N 756 [C(34:3) + H] Figure S22. ESI(+)-MS/MS of the metabolites of m/z 712, 726, and 756 of. 114 citrophthora. 24
25 481 [R 2 C] - C16:1 FA G(16:1) [M H] - [C 3 H 5 3 H] [R 2 C] - C17:1 FA [C 3 H 5 3 H] - [R 2 C] - C16:1 FA [R 2 C] - C18:2 FA G(17:1/17:1) and/or G(16:1/18:2) [M H] Figure S23. ESI(+)-MS/MS of the metabolite of m/z 481 and 745 of. citrophthora
26 435 [R 2 C] - C19:1 FA [C 3 H 5 3 H] - A(17:1) [M H] H H H H H [R 2 C] - C18:2 FA I(18:2) [M H] Figure S24. ESI(-)-MS/MS of the metabolites of m/z 435 and 595 of. citrophthora
27 Figure S25. Spatial distributions during coculture of metabolites identified in B. 126 seminalis and M. perniciosa
28 Figure S26. Spatial distributions during coculture of metabolites identified in B. 133 seminalis and. citrophthora. 28
29 Figure S27. Spatial distributions during coculture of metabolites identified in B. 136 seminalis and. capsici. 29
30 Figure S28. Spatial distributions during coculture of metabolites identified in B. 139 seminalis and. palmivora
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