. 2020 Feb 22;9(2):184. doi: 10.3390/antiox9020184

Table 3.

Identification of chemical compounds in A. unedo fruits using the LC-ESI-QTOF-MS technique.

Compound	Rt (min)	Molecular Formula	MH⁺/ MNa⁺	Error (ppm)	Score (%)	MS Fragment (m/z)	UV λ (nm)	Fresh Fruits					Dried Fruits					Ref.
								FF1	FF2	FF3	FF4	FF5	DF1	DF2	DF3	DF4	DF5
Phenolic acids
Anisic acid	1.4	C₈H₈O₃Na	175.039	1.2	95		283	√	√	√	√	√	√	√	√	√	√	[42]
Ellagic acid 4-O-β-D-glucopyranoside	10.1	C₂₀H₁₆O₁₃	465.066	0.7	100	303.0136	256, 348	√	√	√	√	√	√	√	√	√	√	[46]
Ferulic acid	1.7	C₁₀H₁₀O₄	195.065	2.1	100		325	√	√	√	√	√	√	√	√	√	√	[45]
Gallic acid	3.2	C₇H₆O₅	171.029	0.3	100		217, 271	√	√	√	√	√	√	√	√	√	√	[42]
Galloyl quinic acid (3- O- or 5-O-)	3.9	C₁₄H₁₆O₁₀	345.081	0.3	98		Nd	√	√	√	√	√	√	√	√	√	√	[36]
Protocatechuic acid	6.2	C₇H₆O₄	155.035	1.8	100		290	√	√	√			√					[42]
Quinic acid	0.9	C₇H₁₂O₆	193.071	0.5	100		-	√	√	√	√	√	√	√	√	√	√	[43]
Shikimic acid gallate (3-O- or 5-O-)	7.1	C₁₄H₁₄O₉	327.071	0.7	100		215, 277	√	√	√	√	√	√	√	√	√	√	[36]
Syringic acid	10.6	C₉H₁₀O₅	199.060	0.1	100		218, 273	√	√							√		[44]
Flavonoids
Catechin	9.4	C₁₅H₁₄O₆	291.087	1.2	100		280	√										[47]
Hyperoside (*)	12.8	C₂₁H₂₀O₁₂	465.103	0.8	100	303.0499	213,278, 350						√	√	√	√	√	[35]
Isoquercitrin (*)	12.8	C₂₁H₂₀O₁₂	465.103	0.8	100	303.0499	213,253, 353						√	√	√	√	√	[35]
Myricetin	12.6	C₁₅H₁₀O₈	319.045	0.1	100		220,255, 375	√	√	√	√	√	√	√	√	√	√	[45]
Myricetin 3-O-rhamnopyranoside (*)	12.7	C₂₁H₂₀O₁₂	465.103	0.4	100	319.0389	219,253, 365						√	√	√	√	√	[39]
Quercetin 3-O-arabinoside (**)	13.4	C₂₀H₁₈O₁₁	435.775	0.3	100	303.0499	213,253, 353	√	√	√	√	√	√	√	√	√	√	[39]
Quercetin 3-O-xyloside (**)	13.5	C₂₀H₁₈O₁₁	435.775	0.3	100	303.0499	213,254, 356	√	√	√	√	√	√	√	√	√	√	[47]
Quercitrin	13.6	C₂₁H₂₀O₁₁	449.108	0.7	100	303.0499	213,254, 356	√	√	√	√	√	√	√	√	√	√	[35]
Iridoids
Asperuloside	1.8	C₁₈H₂₂O₁₁	415.121	4.4	84		239									√		[34]
Stilbericoside	15.7	C₁₄H₂₀O₁₀	349.113	0.1	99		Nd	√					√	√	√	√	√	[48]
Unedide	1.2	C₁₆H₂₄O₁₂	409.134	0.4	100		Nd	√	√	√	√	√						[48]

FF: fresh fruits extracts, DF: dried fruits extracts. 1. Ethanolic maceration; 2. hydroalcoholic maceration; 3. decoction; 4. ethanol extraction Soxhlet apparatus; 5. ethanol ultrasound-assisted extraction. Rt: Retention time. √: presence. Nd: not detected. -: no UV. (*) (**): Interchangeable.