A comprehensive tool in recycling plant-waste of Gossypium barbadense L agricultural and industrial waste extracts containing gossypin and gossypol: hepatoprotective, anti-inflammatory and antioxidant effects

Mohammed, Mona A.; Amer, Nagat M.; Abdallah, Heba M. I.; Saleh, Mai S.

doi:10.1186/s13007-024-01181-8

Plant Methods

Table 3 LC–MS metabolites of agriculture waste and industrial waste

From: A comprehensive tool in recycling plant-waste of Gossypium barbadense L agricultural and industrial waste extracts containing gossypin and gossypol: hepatoprotective, anti-inflammatory and antioxidant effects

No	RT (min)	Metabolite name	m/z [M-H]⁻	Mass fragments	Molecular formula	Agricuture waste	Industrial waste	Gaussian	S/N	Refs.
1	1.50	2-Hydroxyisobutyric acid	103.10	76	C₄H₈O₃		*	0.868897	6.012494	MS-dial
2	1.63	N-Methyllysine	159.25	130/111	C₇H₁₆N₂O₂	*	*	0.656398	6.071359	MS-dial
3	1.92	Gluconic acid	195.20	–	C₆H₁₂O₇		*	0.961515	65.01656	[42]
4	2.10	Cysteic acid	167.90	152	C₃H₇NO₅S		*	0.719606	26.75691	[43]
5	2.41	4-Isopropylbenzoic acid	162.95	–	C₁₀H₁₂O₂	*		0.678502	74.67952	[44]
6	2.73	Dihydrozeatin	220.2	184/167	C₁₀H₁₅N₅O	*		0.817118	12.09927	[45]
7	2.79	Gossypetin	317	221/176/96	C₁₅H₁₀O₈	*	*	0.712954	71.22651	[46]
8	2.95	Laricitrin	331.1	191/111	C₁₆H₁₂O₈	*	*	0.93064	329.4837	[47]
9	3.23	Equol	241.2		C₁₅H₁₄O₃		*	0.702379	14.47749	MS-dial
10	9.64	Ellagic acid	301.15	272/165	C₁₄H₆O₈	*	*	0.931935	19.82557	MS-dial
11	9.76	2'-O-Methyl-5-methyluridine	271.1	–	C₁₁H₁₆N₂O₆		*	0.736028	49.46224	MS-dial
12	10.23	Sucrose	341.1	–	C₁₂H₂₂O₁₁	*	*	0.647778	238.7748	[42]
13	12.21	beta-Hydroxymyristic acid	243.3		C₁₄H₂₈O₃		*	0.942568	19.94858	[48]
14	12.77	Estrone	269.2		C₁₈H₂₂O₂		*	0.72722	5.531574	[49]
15	12.66	Threonic acid	134.9	–	C₄H₈O₅	*		0.854257	2.89147	[50]
16	13.6	Pantothenic acid	218.15	–			*	0.908312	82.81514
17	14.24	Inosine-5-monophosphate	347.1		C₁₀H₁₃N₄O₈P	*		0.789652	207.5004	[42]
18	14.38	Malic acid	133.05	–	C₄H₆O₅		*	0.949185	10.3574	[42]
19	14.50	Linoleic acid	279.2	–	C₁₈H₃₂O₂		*	0.852049	43.42567	[51]
20	15.20	Quinic acid	191		C₇H₁₂O₆	*		0.871278	6.95587	[52]
21	15.31	Isorhamnetin	315.1	219/152/108	C₁₆H₁₂O₇	*	*	0.726716	26.68773	[53]
22	15.99	6,7-Dihydroxycoumarin	177.15	–	C₉H₆O₄	*		0.690777	16.96198	MS-dial
23	16.26	Adenine	133.9	-	C₅H₅N₅	*		0.805316	7.804921	[42]
24	16.26	Hypoxanthine	134.95	-	C₅H₄N₄O	*	*	0.845876	5.005095	[42]
25	16.45	Retinoic acid	299.3	-	C₂₀H₂₈O₂		*	0.837278	36.04725	MS-dial
26	16.55	Kaempferol	285.2	223	C₁₅H₁₀O₆	*		0.840564	124.0466	[46]
27	16.89	N-Acetyltryptophan	245	–	C₁₃H₁₄N₂O₃	*		0.652122	41.79542	MS-dial
28	16.82	Docosatetraenoic acid	331.35	–	C₂₂H₃₆O₂		*	0.936923	10.88153	MS-dial
29	18.57	Octadecanedioic acid	313.3		C₁₈H₃₄O₄	*		0.828433	69.35403	[51]
30	20.48	Heneicosanoic acid	325.3	–	C₂₁H₄₂O₂		*	0.789929	16.40839	28]
31	22.18	beta-Bisabolol	221.15	–	C₁₅H₂₆O	*	*	0.808356	549.4781	[54]
32	22.48	Vergosin	331.3	147	C₁₆H₁₈O₃	*	*	0.832863	27.44086	[55]
33	37.03	Deoxyhemigossypol	243.06	153	C₁₅H₁₆O₃	*		0.630911	530.6302	[55]
34	38.60	Astragalin	447.11	295/279	C₂₁H₂₀O₁₁	*		0.617828	667.2794	[46]

Ref. mean identification compare to literature and MS-Dial database

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