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. 2025 Jul 3;13:RP99752. doi: 10.7554/eLife.99752

Appendix 1—table 2. Lipids and metabolites upregulated in low or high tachyplesin-nitrobenzoxadiazole (NBD) accumulators compared to untreated bacteria.

Lipid or metabolite name, composition, adduct, retention time (RT), theoretical and experimentally measured mass, formula, variable importance in projection (VIP), and concentration in parts per million (∆ppm) measured via quadrupole time-of-flight liquid chromatography/mass spectrometry.

Name Composition Adduct RT Theoretical mass Experimental mass Formula VIP Score ∆ppm
Lipids and metabolites upregulated in low tachyplesin-NBD accumulators
LPE 20:4 - [M+H] 1.49 502.2928 502.2925 C25 H44 NO7 P 1.46 –0.59
SM 34:1 - [M+H] 3.40 703.5749 703.5751 C39 H79 N2 O6 P 1.30 0.28
PE 32:1 - [M+H] 3.20 689.4996 689.4997 C37 H72 NO8 P 1.48 0.14
PE 36:5 - [M+H] 3.25 738.5069 738.5067 C41 H72 NO8 P 1.60 –0.27
PE 38:5 - [M+H] 3.40 766.5382 766.5380 C43 H76 NO8 P 1.56 –0.26
SM 34:1 18:1; 16:0 [M-H] 3.8 701.5603 701.5603 C39 H79 N2 O6 P 1.97 0.28
LPC 18:1 - [M-H] 1.09 520.3408 520.3406 C26 H52 NO7 P 1.23 –0.38
Lipids and metabolites upregulated in high tachyplesin-NBD accumulators
Cer 32:332:3 14:2; 18:1 [M+H] 3.32 506.4568 506.456745 C32 H59 NO3 1.37 –0.78
PC 36:3 18:0; 18:3 [M+H] 3.74 788.5851 788.5849 C44 H82 NO8 P 1.42 –0.25
LPC 22:1 - [M+H] 1.19 578.418 578.4160 C30 H60 NO7 P 1.46 –3.45
SM 40:2 16:1; 24:1 [M+H] 3.48 785.6531 785.6560 C45 H89 N2 O6 P 1.52 3.69
PE 30:0 16:0; 14:0 [M+H] 3.08 664.4912 664.4910 C35 H70 NO8 P 1.64 –0.30
PE 31:0 16:0; 15:0 [M+H] 3.19 678.5069 678.5067 C36 H72 NO8 P 1.71 –0.29
PE 32:2 16:1; 16:1 [M+H] 3.21 688.4912 688.4910 C37 H70 NO8 P 1.63 –0.29
LPC 18:1 - [M-H] 1.09 520.3408 520.3403 C26 H52 NO7 P 1.91 –0.96
SM 34:1 18:1; 16:0 [M-H] 3.8 701.5603 701.5601 C39 H79 N2 O6 P 1.97 –0.28
PC 35:0 - [M-H] 2.49 774.6018 774.6016 C43 H86 NO8 P 1.26 –0.25
PG 38:7 - [M-H] 1.63 791.4868 791.4861 C44 H73 O10 P 1.63 –0.88
PS 37:7 20:5; 17:2 [M-H] 5.69 790.4664 790.4667 C43 H70 NO10 P 1.19 0.37