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. 2019 Nov 18;9:17012. doi: 10.1038/s41598-019-52738-w

Table 5.

Metabolites produced by Pseudomonas aeruginosa identified by ESI-MS and tandem mass spectrometry.

S. No. Structures of metabolites Side Chains Observed Peaks (m/z) MS/MS (Verified)* MS/MS (Reported) References
N-acyl-homoserine lactones (AHLs) [M + H]+ [M−H]−
m/z Abundance*
1 graphic file with name 41598_2019_52738_Figa_HTML.gif C5:0-C5H11 200 2 - (+) 172, 156, 102, 88. -** 29
C7:0 -C7H15 228 9 - (+) 214, 200, 102, 88, 70. -** 26,28
C9:0 -C9H19 256 3 - (+) 228, 212, 200, 102, 88. -** 26
C11:0-C11H23 284 9 - (+) 256, 240, 102, 88. -** 26
2 graphic file with name 41598_2019_52738_Figb_HTML.gif C5:0 -C5H11 218 20 - (+) 200, 174, 156, 142, 116, 106, 102, 88, 70. -** 28
C7:0 -C7H15 246 25 - (+) 228, 202, 184, 106, 102, 88. -** 28
C9:0-C9H19 274 100 - (+) 256, 230, 212, 106, 102, 88. -** 26
C11:0-C11H23 302 18 - (+) 284, 258, 240, 106, 102, 88. -** 26
C13:0 –C13H27 330 7 - (+) 312, 286, 268, 106, 102. -** 26
3 graphic file with name 41598_2019_52738_Figc_HTML.gif C6:0 -C6H13O3*** 262 13 - (+) 244, 200, 102, 88. -** Current study
C8:0-C8H17O3*** 290 18 - (+) 272, 228, 102, 88. -** Current study
C10:0-C10H21O3*** 318 75 - (+) 300, 256, 102. -** Current study
C12:0–C12H25O3*** 346 12 - (+) 328, 284, 102, 88. -** Current study
C14:0–C14H29O3*** 374 5 - (+) 356, 312, 102. -** Current study
4-hydroxy-2-Alkylquinolines (HAQs)
4 graphic file with name 41598_2019_52738_Figd_HTML.gif C7:0–C7H15 244 22 242

(+) 226, 186, 172, 159, 146.

(−) 228, 198, 170, 158, 158, 144, 143.

(+) 200, 188, 186, 172, 159, 146.

(+) 186, 172, 159, 146.

 27,50
C8:0–C8H17 258 10 - (+) 244, 230, 226, 216, 202, 198, 188, 186, 184, 174, 172, 170, 162, 160, 159, 156, 146, 132. (+) 240, 224, 198, 188, 186, 172, 159, 146. 27,47
C9:0–C9H19 272 29 270

(+) 258, 254, 240, 226, 216, 202, 198, 188, 186, 172, 162, 160, 159, 146, 132.

(−) 242, 226, 212, 198, 184, 170, 157.

(+) 186, 172, 159, 146.

(−) 184, 170, 158, 157, 144.

(+) 184, 172, 159.

 27,34
5 graphic file with name 41598_2019_52738_Fige_HTML.gif C8:1–C8H15 286 85 284

(+) 268, 258, 254, 244, 240, 230, 226, 216, 212, 202.

(−) 270, 256, 240, 228, 186, 173, 159.

 (+) 268, 258, 240, 226, 216, 212, 202, 198, 188, 186, 184, 174, 172, 162, 160, 159, 146, 132. 27,50
6 graphic file with name 41598_2019_52738_Figf_HTML.gif C7:0–C7H15 260 42 258

(+) 242, 228, 214, 200, 186, 175, 172, 162, 159.

(−) 240, 230, 214, 186, 173, 159, 144.

(+) 188, 175.

(+) 242, 186, 175, 172, 162, 159.

(−) 241, 240, 230, 214, 187, 173, 172, 159, 144.

 27,34
Rhamnolipids
Mono-rhamno-di-lipidic congers
7 graphic file with name 41598_2019_52738_Figg_HTML.gif Rha-C10-C10 - 100 503 (−) 474, 362, 339, 334, 324, 306, 169. -** 51
Rha-C10-C10 - 9 504 (−) 361, 340, 169. -** 52
Di-rhamno-di-lipidic congers
8 graphic file with name 41598_2019_52738_Figh_HTML.gif Rha-Rha-C10-C10 - 19 649 (−) 479, 339. -** 51
9 graphic file with name 41598_2019_52738_Figi_HTML.gif Decenoyl-Rha-Rha-C10-C10 803 62 - (+) 301. -** 35

*Relative ions abundance was measured from full scan MS, **MS/MS not reported, *** Structures have been verified by Tandem Mass Spectrometry (see Fig. 10 and Supplementary Figures S1 (viii, ix, x, xi)).