. 2022 Apr 15;17(4):e0265824. doi: 10.1371/journal.pone.0265824

Table 1. Secondary metabolites identified in Trichoderma strains using UPLC-ESI-Q-TOF-MS.

No.	m/z	Retention time (min)	Adduct	MS/MS Fragment masses	Molecular formula	Exact mass	Putative identification	Δ m/z (ppm)	Strains	Biological activity	References
1	264.1086	0.68	[M+H-H₂O]⁺	69.0328, 84.0443, 139.0881, 150.9268	C₁₁H₁₅N₅O₄	281.1119	2-O-Methyladenosine	1.78	All	Anti-inflammatory	[54]
2	118.0863	0.86	[M+H]⁺	59.0705, 60.0838, 99.0061	C₅H₁₁NO₂	117.0790	Glycine-Betaine	0	All	Plant growth promoter	[55]
3	138.0553	0.91	[M+H]⁺	65.0380, 78.0338, 92.0496, 93.0572, 138.0562	C₇H₇NO₂	137.0480	Trigonelline	-2,19	UFPIT02-UFPIT05, UFPIT07-UFPIT11, and UFPIT13-UFPIT19	Plant growth promoter, antibacterial	[56, 57]
4	220.1196	4.63	[M+H]⁺	97.0356	C₁₀H₁₃N₅O	219.1123	Trans-Zeatin	-1.37	UFPIT06, UFPIT07, UFPIT10, and UFPIT12	Plant growth promoter, antibacterial, antifungal	[51, 58–60]
5	237.1126	6.80	[M+H-H₂O]⁺	215.0709, 235.1137, 249.0980	C₁₃H₁₈O₅	254.1159	Phomalone	-1.96	All	Antibacterial, antifungal, cytotoxic	[61]
6	247.0957	10.34	[M+H]⁺	56.9367, 162.0252, 166.0648	C₁₄H₁₄O₄	246.0895	Columbianetin	-1.22	UFPIT01, UFPIT02, UFPIT09, UFPIT14, UFPIT15, and UFPIT18	Antibacterial, antifungal	[62–65]
7	265.1423	10.55	[M+H]⁺	173.0774, 189.0489, 195.0886, 245.0917	C₁₅H₂₀O₄	264.1352	Abscisic acid	3,78	UFPIT04, and UFPIT13	Plant growth promoter, antioxidant, antibacterial, antifungal	[66–68]
8	419.1713	10.83	[M+H]⁺	186.0949, 204.1036, 441.1527	C₂₂H₂₆O₈	418.1640	Syringaresinol	-2.87	UFPIT01, UFPIT02, UFPIT13, UFPIT14, UFPIT15, and UFPIT18	Antibacterial, antifungal, anti-inflammatory	[48, 69]
9	281.1754	12.28	[M+H]⁺	123.0814, 133.0655, 160.0524, 175.0431, 177.0254, 245.1556, 263.1660	C₁₆H₂₄O₄	280.1688	Brefeldin-A	-4.64	UFPIT03, UFPIT07, UFPIT10, UFPIT16, and UFPIT19	Antiviral, antifungal, antitumoral	[70, 71]
10	305.1721	13.93	[M+Na]⁺	147.0131, 153.0918, 161.0294, 225.0098, 255.1513, 259.1615, 276.1381	C₁₆H₂₆O₄	282.1837	Koninginin E	-2.13	UFPIT03, UFPIT07, UFPIT10, UFPIT16, and UFPIT19	Plant growth promoter, antifungal	[52]
11	307.1882	14.11	[M+Na]⁺	133.0656, 267.1297, 289.1688	C₁₆H₂₈O₄	284.1993	Koninginin A	-1.76	UFPIT03, UFPIT07, UFPIT10, UFPIT16, and UFPIT19	Plant growth promoter, Antifungal	[52, 72]
12	453.1914	14.23	[M+H-H₂O]⁺	147.0929, 154.0670, 174.1137, 212.2395, 225.0931, 263.1654, 281.1769, 328.2860, 373.2012, 374.2914, 413.1963, 431.2048	C₂₆H₃₀O₈	470.1947	Physodic acid	-1.28	All	Antibacterial	[73]
13	447.2001	14.43	[M+Na]⁺	215.0365, 233.0460, 263.0544, 285.1583, 303.1583, 429.1891, 447.1993	C₂₂H₃₂O₈	424.2110	HT-2 Toxin	-3.07	UFPIT07, and UFPIT10	Mycotoxin	[74]
14	318.3013	16.01	[M+H]⁺	97.9455, 150.0253, 264.2691, 282.2798, 286.2755, 294.2803	C₁₈H₃₉NO₃	317.2940	Phytosphingosine	-3.15	UFPIT01, UFPIT02, UFPIT09, and UFPIT17	Anti-inflammatory, antibacterial	[75–77]
15	163.0393	16.54	[M+H]⁺	120.9752, 121.0289, 135.0442, 163.0393	C₉H₆O₃	162.0321	4-Hydroxycoumarin	-2.47	All	Antifungal, antibacterial, antioxidant, antitumoral	[78, 79]
16	338.3413	20.72	[M+H]⁺	97.1011, 100.0764, 109.1018, 111.0814, 114.0919, 121.1023, 123.0819, 125.0974, 128.1070, 135.1178, 139.0942	C₈H₄O₃	337.3341	Erucamide	1.19	All	Antibacterial	[80]