Table I. Pathway reconstruction of m/z values that respond differently to droplet and spray inoculation with P. cucumerina
Accurate m/z ValueaAdductPredicted MassbPutative CompoundPathwaycFold Change, DropletdFold Change, SpraydVIP Rankinge
450.0536m−H451.06415-Methylsulfinylpentyl glucosinolateGS0.107.8936
462.0879m−H463.09527-Methylthioheptyl glucosinolateGSNI25.6161
428.1081m−H427.10877-Octenyl glucosinolateGS0.106.27135
476.1009m−H477.11618-Methylthiooctyl glucosinolateGSNI489.3916
434.0212m−H435.0285GlucoberteroinGS0.08400.96136
420.0445m−H421.0518GlucoerucinGS0.07491.819
492.0947m−H493.1020GlucohirsutinGSNI14.8710
436.0375m−H437.0448GlucoraphaninGS0.117.192
388.0424m−H389.0497ProgoitrinGS0.02447.611,028
157.1203m+H156.11303-IndoleacetonitrileGSNI11.66905
293.1700m+H292.162712-OPDAJA metabolism19,640.00NI788
209.9645m−H210.9718JAJA metabolism4.23NI15
324.2425m+H323.2352JA-IleJA signaling55.09NI303
125.0156m+H124.0083Salicyl alcohol/catechol monomethyl etherSA degradation0.322,933.404,962
121.0451m−H122.0524Benzoic acid/salicyl aldehydeSA metabolism0.04435.41244
  • a The m/z values were detected by MALDI-Q-TOF analysis. Values were selected (1) when showing a statistically significant interaction between inoculation method and P. cucumerina and (2) if at least one additional mass prediction could be annotated to the same metabolic pathway.  bThe m/z values were corrected for adducts and/or for carbon isotopes (m/z tolerance = 0.05 D) using MarVis software.  cMass predictions were cross referenced against publicly available databases (ChemSpider, METLIN, MassBank, PubChem, KEGG, AraCyc, and MetaCyc) and selected at a mass accuracy fit of 0.05 D. GS, Glucosinolates.  dFold change values of m/z values were determined using MetaboAnalyst software. NI, No statistically significant induction or repression by P. cucumerina.  eVIP, Variable importance for projection ranking, derived from the loading plot of the O2PLS-DA analysis (Supplemental Fig. S3).