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. 2018 Mar 21;9:360. doi: 10.3389/fpls.2018.00360

Table 1.

Plasmopara-specific ions identified by non-targeted metabolomics, which are referred to in the text.

Ion n° Identifier m/z RT(s) Ion formula Identification
10 M303T44 303.2316 43.87 C20H30O2 eicosapentaenoic acid (EPA)
5 M377T39 377.2683 38.81 C23H37O4 eicosapentaenoyl-glycerol (EPG)
4 M359T39 359.2577 38.81 C23H35O3 fragment from EPG [M-H2O+H]+
16 M661T85 661.4825 84.66 C43H65O5 dieicosapentaenoyl-glycerol (DEPG)
117 M946T474 945.6964 473.78 C63H93O6 trieicosapentaenoyl-glycerol (TEPG)
12 M305T48 305.2474 47.97 C20H32O2 arachidonic acid (AA)
8 M379T42 379.2839 41.59 C23H39O4 arachidonoyl-glycerol (AG)
30 M666T124 665.5134 123.80 C43H69O5 diarachidonoyl-glycerol (DAG)
19 M492T96 492.4773 96.14 C32H64NO3 Cer(d16:1/16:0)
40 M539T125 538.5189 125.15 C34H68NO3 Cer(d16:1/18:0)
33 M236T125 236.2371 125.15 C16H30N fragment N from Cer(d16:1/18:0)
34 M254T125 254.2477 125.15 C16H32NO fragment N′ from Cer(d16:1/18:0)
37 M521T125 520.5084 125.15 C34H66NO2 fragment [M-H2O+H]+ from Cer(d16:1/18:O)
42 M356T126 356.3156 125.61 C21H42NO3 fragment C from Cer(d16:1/18:0)
43 M284T126 284.2945 126.06 C18H38NO fragment A from Cer(d16:1/18:0)
73 M567T166 566.5502 165.80 C36H72NO3 Cer(d16:1/20:0)
66 M236T165 236.2371 164.83 C16H30N fragment N from Cer(d16:1/20:0)
67 M254T165 254.2476 164.83 C16H32NO fragment N′ from Cer(d16:1/20:0)
71 M549T166 548.5399 165.69 C36H70NO2 fragment [M-H2O+H]+ from Cer(d16:1/20:0)
97 M595T223 594.5818 223.18 C38H76NO3 Cer(d16:1/22:0)
93 M236T223 236.2372 223.18 C16H30N fragment N from Cer(d16:1/22:0)
94 M412T223 412.3784 223.18 C25H50NO3 fragment C from Cer(d16:1/22:0)
95 M577T223 576.5713 223.18 C38H74NO2 fragment [M-H2O+H]+ from Cer(d16:1/22:0)
13 M281T50 281.2473 50.26 C18H32O2 C18:2 acid
46 M642T142 641.5134 141.80 C41H69O5 diglyceride 20:5/18:1

Major compounds are indicated in bold. Identifications confirmed using the corresponding standards are marked by a gray background. Ions are numbered according to their retention time and are organized as derivatives of EPA, AA, and ceramides, indicated in green, blue, and red, respectively. Putative identifications are indicated with italics. For all ions, the identifier, the m/z, and retention time (RT) are indicated. For fragment nomenclature, see Supplementary Figure 3. The original list of ions identified by non-targeted metabolomics on one experiment including three biological replicates of extracts of P. viticola sporangia and of mock-inoculated leaves is presented in Supplementary Table 1 and the full list of 51 ions identified in this work is presented in Supplementary Table 2.