Table 4: Identified metabolites in the combined and filtered data set. The retention time is measured in minutes and the exact compound mass is stated in Dalton. The columns “Negative” and “Positive” contain the number of associated marker candidates/ions obtained in the negative or positive ionization mode. The column “Ions” contains the sum of associated marker candidates/ions per compound. The column “ 𝑃 value” contains the minimal adjusted 𝑃 value of the Kruskal-Wallis test over all associated marker candidates, respectively. The column “Mass error” contains the absolute difference between the corrected mass of the marker candidate with the minimal adjusted 𝑃 value and the exact compound mass in Dalton.

RT Exact mass Mass error Name Formula Ions Negative Positive 𝑃 value

0.73 210.1256 0.0015 Jasmonic acid C12H18O3 5 5 0 6.67 𝑒 - 8
2.08 292.2038 0.0021 OPDA C18H28O3 8 4 4 3.41 𝑒 - 8
1.85 310.2144 0.0016 13-HPOT C18H30O4 1 1 0 2.04 𝑒 - 4
2.49 292.2038 0.0027 13-KOT C18H28O3 4 4 0 1.70 𝑒 - 7
1.33 264.1725 0.0037 dn-OPDA C16H24O3 5 3 2 7.65 𝑒 - 8
0.5 226.1205 0.0009 11/12-Hydroxy jasmonic acid C12H18O4 4 4 0 2.87 𝑒 - 8
0.51 339.2046 0.0008 12-Hydroxy jasmonoyl isoleucine C18H29NO5 1 1 0 3.44 𝑒 - 5
0.51 353.1838 0.001 12-Carboxy jasmonoyl isoleucine C18H27NO6 1 1 0 2.20 𝑒 - 5
4.02 760.4762 0.005 18 : 3/dn-OPDA-MGDG C43H68O11 4 0 4 1.96 𝑒 - 6
2.85 774.4554 0.0022 OPDA/dn-OPDA-MGDG C43H66O12 8 0 8 1.93 𝑒 - 7
3.26 802.4867 0.0034 OPDA/OPDA-MGDG C45H70O12 7 0 7 1.79 𝑒 - 7
4.59 1048.6487 0.0033 OPDA/dn-OPDA-MGDG-OPDA C61H92O14 9 0 9 1.48 𝑒 - 6
4.89 1076.68 0.002 OPDA/OPDA-MGDG-OPDA C63H96O14 8 0 8 2.13 𝑒 - 6
2.36 936.5083 0.0023 OPDA/dn-OPDA-DGDG C49H76O17 4 0 4 1.86 𝑒 - 6
2.76 964.5396 0.0021 OPDA/OPDA-DGDG C51H80O17 6 0 6 1.98 𝑒 - 7

The identified oxylipins are found in literature under the following synonyms: Jasmonic acid (3-Oxo-2R-(2Z)2-penten-1R-yl-cyclopentaneacetic acid), OPDA (12-Oxo-10,15(Z)-phytodienoic acid or 4-Oxo-5 𝛼 -(2(Z)-pentenyl)-2-cyclopentene-1 𝛼 -octanoic acid), 13-HPOT (13-Hydroperoxy-octadeca-9(Z),11(Z),15(Z)-trienoic acid), 13-KOT (13-Keto-octadeca-9(Z),11(Z),15(Z)-trienoic acid), dn-OPDA (4-Oxo-5S-(2Z)-2-penten-1-yl-2-cyclopentene-1S-hexanoic acid), 18 : 3/dn-OPDA-MGDG (Arabidopside F, Monogalactosyldiacylglycerol), OPDA/dn-OPDA-MGDG (Arabidopside A, Monogalactosyldiacylglycerol), OPDA/OPDA-MGDG (Arabidopside B, Monogalactosyldiacylglycerol), OPDA/dn-OPDA-MGDG-OPDA (Arabidopside E, Acylated Monogalactosyldiacylglycerol), OPDA/OPDA-MGDG-OPDA (Arabidopside G, Acylated Monogalactosyldiacylglycerol), OPDA/dn-OPDA-DGDG (Arabidopside C, Digalactosyldiacylglycerol), and OPDA/OPDA-DGDG (Arabidopside D, Digalactosyldiacylglycerol).