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

Nebbioso, A.; De Martino, A.; Eltlbany, N.; Smalla, K.; Piccolo, A.

doi:10.1186/s40538-016-0063-7

Chemical and Biological Technologies in Agriculture

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

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