High-throughput detection of antioxidants in mulberry fruit using correlations between high-resolution mass and activity profiles of chromatographic fractions

Table 1 UPLC/MSMS identification of standard anti-oxidant compounds in the EtOAc extract of mulberry fruit

	Standard name	Formula	Calc. [M-H]⁻ [m/z]	Observed [M-H]⁻ [m/z]	Error [mDa]	Retent ion time	MS/MS fragment ion peaks (relative intensity %)	EC₅₀ [uM]	Contents [ng]
1	Gallic acid	C₇H₆O₅	169.0143	169.0144	+ 0.1	0.94	151.00(33), 125.02(100)	7.8	7.0
2	Gentisic acid	C₇H₆O₄	153.0193	153.0184	− 0.9	2.05	109.02(100)	47.2	158.3
3	Chlorogenic acid	C₁₆H₁₈O₉	353.0878	353.0873	− 0.5	2.79	191.05(100)	23.6	36.7
4	Caffeic acid	C₉H₈O₄	179.0350	179.0357	+ 0.7	4.12	135.04(100)	38.8	35.7
5	Dihydro -quercetin	C₁₅H₁₂O₇	303.0510	303.0557	+ 4.7	22.83	285.04(100), 259.06(6), 177.02(18), 125.02(20)	14.0	142.4
6	Rutin	C₂₇H₃₀O₁₆	609.1461	609.1536	+ 7.5	25.83	301.03(75), 300.02(100), 302.03(14)	10.7	317.8
7	Quercetin-3-o-glucoside	C₂₁H₂₀O₁₂	463.0882	463.0953	+ 7.1	26.25	302.03(18), 301.03(100), 257.04(13),	29.0	165.6
8	Quercitrin	C₂₁H₂₀O₁₁	447.0933	447.0939	+ 0.6	29.62	287.05(53), 285.04(53.83), 284.03(72), 151.00(27),	20.7	17.8
9	Quercetin	C₁₅H₁₀O₇	301.0354	301.0337	− 1.7	37.20	175.04(19), 151.00(32), 149.02(10), 107.01(13)	13.9	192.6
10	Luteolin	C₁₅H₁₀O₆	285.0405	285.0424	+ 1.9	37.76	199.04(13), 151.00(32), 149.02(10), 134.03(10), 133.02(100), 107.01(13)	11.9	16.3
11	Kaempferol	C₁₅H₁₀O₆	285.0405	285.0424	+ 1.9	43.70	239.03(17), 229.05(16), 227.03(11), 211.04(15), 187.04(18), 185.06(20), 171.04(11), 159.04(15), 143.05(11)	30.1	20.3

The approximate contents, DPPH anti-oxidation EC₅₀, MS/MS fragment ion list, retention time, and high-resolution mass and chemical formula of SAOx were listed for the EtOAc extract of mulberry fruit

ISSN: 1746-4811