. 2016 Dec 23;22(1):11. doi: 10.3390/molecules22010011

Table 2.

Identification and quantitation of phenolic compounds in F.AcOEt fraction of P. friedrichsthalianum fruit by UHPLC-ESI/QqQ (negative mode).

Compound	Amount (mg/g Fraction)	Retention Time (min)	Molecular Mass (u)	MRM Transition	Calibration Range (μg/mL) *	LOD (μg/mL) *	LOQ (μg/mL) *
Benzoic acids and derivatives (C₆–C₁)
Benzoic acid	0.276 ± 0.029	8.49	122.12	121 > 77	12.50–0.39	0.090	0.200
4-Hydroxybenzoic acid	0.002 ± 0.000	4.43	138.12	137 > 93	3.13–0.06	0.012	0.025
Protocatechuic acid	0.081 ± 0.006	3.34	154.12	153 > 109	3.13–0.02	0.006	0.012
Vanillic acid	0.204 ± 0.005	5.43	166.14	165 > 121	25.12–0.39	0.050	0.098
Phthalic acid	0.023 ± 0.002	5.34	166.14	165 > 121	3.13–0.02	0.012	0.025
Gallic acid	0.693 ± 0.010	1.73	170.12	169 > 125	1.56–0.05	0.012	0.025
3-O-Methylgallic acid	0.007 ± 0.001	4.22	184.15	183 > 168	1.56–0.01	0.007	0.016
Syringic acid	0.040 ± 0.010	5.95	198.17	197 > 182	1.56–0.10	0.012	0.030
Phenylacetic acids (C₆–C₂)
Phenylacetic acid	1.087 ± 0.088	8.77	136.15	135 > 91	12.50–0.78	0.390	0.780
3,4-Dihydroxyphenylacetic acid	0.001 ± 0.000	4.16	168.15	167 > 123	0.39–0.01	0.003	0.007
4-Hydroxymandelic acid	0.092 ± 0.001	1.42	168.15	167 > 123	6.25–0.20	0.098	0.196
Phenylpropanoic acids and derivatives (C₆–C₃)
Caffeic acid	0.020 ± 0.005	5.46	180.16	179 > 135	3.13–0.05	0.024	0.049
Isoferulic acid	0.020 ± 0.007	8.40	194.18	193 > 134	0.78–0.05	0.024	0.049
Ferulic acid	0.021 ± 0.002	7.81	194.18	193 > 134	3.13–0.02	0.006	0.012
Flavan-3-ols (C₆–C₃–C₆)
(+)-Catechin	17.952 ± 1.404	5.22	290.26	289 > 245	6.25–0.05	0.012	0.024
(−)-Epicatechin	9.525 ± 1.581	6.36	290.27	289 > 245	3.13–0.05	0.018	0.049
Procyanidin A2	0.049 ± 0.002	9.02	576.51	575 > 449	3.13–0.05	0.006	0.024
Procyanidin B1	14.149 ± 1.454	4.91	578.52	577 > 289	25.00–0.20	0.050	0.1000
Procyanidin B2	10.820 ± 1.122	5.94	578.52	577 > 289	25.00–0.39	0.030	0.060
Others (Phenols, lactones)
α-Valerolactone	0.024 ± 0.014	3.45	100.12	101 > 55	1.56–0.05	0.024	0.098
Pyrogallol	0.059 ± 0.008	1.69	126.11	125 > 79	1.56–0.05	0.024	0.049
Ellagic acid	4.755 ± 0.105	14.61	302.20	301 > 145	50.00–1.56	0.268	0.521

* Gall, E. [15]; The MRM transitions were those already optimized and published in previous works [16,17]. LOD = Limit of Detection, LOQ = Limit of Quantitation.