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Table 2 Metabolites identified in IT-TOF LC–MS of treated and control tomato roots

From: Phytochemical profiling of tomato roots following treatments with different microbial inoculants as revealed by IT-TOF mass spectrometry

Rt [M-H] MS/MS MS/MS/MS Calculated mass Formula Proposed molecule ID
8.3 194.0466    195.0532 C9H9NO4 Cinnamic acid-like 1 CI1
8.4 248.0342    249.0485 C8H11NO8 Unidentified 1 U1
12.3 194.0461    195.0532 C9H9NO4 Cinnamic acid-like 2 CI2
15.0 194.0488    195.0532 C9H9NO4 Cinnamic acid-like 3 CI3
24.5 327.2171    328.2250 C18H32O5 HODE-related compound 1 H1
30.1 163.0418 119, 149   164.0507 C9H8O3 Coumaric acid-like CO
33.4 265.1492    266.1518 C15H22O4 Unidentified 2 U2
34.6 311.2206 183, 293 119, 177, 249 312.2301 C18H32O4 HODE-related compound 2 H2
34.9 311.2225 183, 293 119, 177, 249 312.2301 C18H32O4 HODE-related compound 3 H3
35.3 309.1774 183, 293 119 310.1827 C11H26N4O6 Unidentified 3 U3
35.5 353.1991    354.2056 C20H26N4O2 Unidentified 4 U4
35.6 326.1916    327.2006 C12H29N3O7 Unidentified 5 U5
36.0 293.1861 177, 185, 249 149 294.1943 C16H26N2O3 Cyclopentaneoctanoic acid related 1 CY1
36.6 293.2127 177, 249 149 294.2195 C18H30O3 Cyclopentaneoctanoic acid related 2 CY2
37.0 295.2269    296.2351 C18H32O3 HODE-related compound 4 H4
39.2 337.0569    338.0638 C15H14O9 Unidentified 6 U6
39.4 295.2276 171, 277   296.2351 C18H32O3 HODE-related compound 5 H5
39.9 250.1445 205, 235 148 251.1521 C14H21NO3 Unidentified 7 U7
41.4 301.2168 283, 257   302.4518 C20H30O2 Eicosapentaenoic acid L1
41.8 277.2171 259, 233   278.2246 C18H30O2 Linolenic acid L2
42.0 227.2022 209   228.2089 C14H28O2 Myristic acid L3
42.2 283.2647    284.2715 C18H36O2 Stearic acid L4
42.4 413.2914    414.2981 C23H42O6 Diacetoxypropyl palmitate (1,3 or 2,3) L5
42.6 253.2183 235   254.2246 C16H30O2 Palmitoleic acid L6
43.0 303.2329    304.2402 C20H32O2 Arachidonic acid L7
43.3 279.2340 261   280.2402 C18H32O2 Linoleic acid L8
44.4 305.2482    306.2559 C20H34O2 Eicosatrienoic acid L9
44.3 267.2322 249   268.2402 C17H32O2 Eptadecenoic acid L10
45.0 255.2318 237   256.2402 C16H32O2 Palmitic acid L11
45.6 281.2480 263   282.2559 C18H34O2 Oleic acid L12
46.6 269.2498    270.2559 C17H34O2 Eptadecanoic acid L13
46.8 517.4082    518.4182 C29H58O7 Unidentified 8 U8
47.3 417.3192    418.3294 C23H46O6 2,8,10,19-tetrahydroxy-18-methyldocosanoic acid L14