Journal of Food Quality

Research Article

Development of an Enriched Polyphenol (Natural Antioxidant) Extract from Orange Juice (Citrus sinensis) by Adsorption on Macroporous Resins

Table 2

UHPLC-HRMS/MS data of compounds detected in orange juice.


N.	(+) HRMS			(−) HRMS			Molecular formula	Compound
N.	m/z	ppm	Product ions MS/MS	m/z	ppm	Product ions MS/MS	Molecular formula	Compound

1	357.1165	−4.8	—	355.1041	4.0	193.2711 [M-H-hexose]⁻	C₁₆H₂₀O₉	Ferulic acid glucoside

2	595.1627	−4.2	—	593.1515	2.1	503.1201 [M-H-C₃H₆O₃]⁻; 473.1074 [M-H-C₄H₈O₄]⁻; 383.0773 [M-H-C₇H₁₄O₇]⁻	C₂₇H₃₀O₁₅	Apigenin 6,8-di-C-glucoside

3	625.1741	−3.2	—	623.1624	3.4	533.1317 [M-H-C₃H₆O₃]⁻; 403.1194 [M-H-C₄H₈O₄]⁻; 413.0868 [M-H-C₇H₁₄O₇]⁻	C₂₈H₃₂O₁₆	Diosmetin 6,8-di-C-glucoside

4	673.2434^b	−3.9	—	649.2514	3.1	605.2553 [M-H-CO₂]⁻; 443.2121 [M-H-CO₂-hexose]⁻	C₃₂H₄₂O₁₄	Limonin-glucoside

5	581.1838	−4.1	—	579.1722	2.3	417.1549 [M-H-hexose]⁻; 271.0606 [M-H-hexose-deoxyhexose]⁻	C₂₇H₃₂O₁₄	Narirutin

6	435.1267	−4.8	—	433.114	4.5	271.0588 [M-H-hexose]⁻	C₂₁H₂₂O₁₀	Naringenin-glucoside

7	611.1941	−4.2	—	609.1831	3.7	301.0723 [M-H-hexose-deoxyhexose]⁻	C₂₈H₃₄O₁₅	Hesperidin^a

8	465.1374	−4.7	—	463.1247	2.0	301.0693 [M-H-hexose]⁻	C₂₂H₂₄O₁₁	Hesperetin glucoside

9	717.2701^b	−3.2		693.2767	2.4	633.2124 [M-H-CH3COOH]⁻	C₃₄H₄₆O₁₅	Nomilin glucoside

10	735.2807^b	−3.3	—	711.2881	4.0	651.2714 [M-H-CH₃COOH]⁻; 607.2812 [M-H-CH₃COOH-CO₂]⁻	C₃₄H₄₈O₁₆	Nomilinic acid glucoside

11	471.1995	−3.3	—	515.1924^c	3.5	—	C₂₇H₃₀O₁₀	Limonin^a

12	373.1269	−4.1	358.1033 [M + H-CH₃]⁺; 343.0802 [M + H-2CH₃]⁺; 329.1010 [M + H-CO-H₂O]⁺; 312.0985 [M + H-CH₄-2CH₃]⁺			—	C₂₀H₂₀O₇	Sinensetin

13	403.1372	−4.7	388.1135 [M + H-CH₃]⁺; 373.0905 [M + H-2CH₃]⁺; 342.1093 [M + H-CH₄-2CH₃]⁺			—	C₂₁H₂₂O₈	Nobiletin

14	373.1266	−4.0	358.1034 [M + H-CH₃]⁺; 343.0802 [M + H-2CH₃]⁺			—	C₂₀H₂₀O₇	Tangeretin

^aCompared with reference standards. ^bm/z values corresponding to [M + Na]⁺. m/z values corresponding to [M-H + HCOOH]⁻.