Table 1.
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.