Table 2.

Calibration parameters, sensitivity, recovery, accuracy and precision of the optimized GC-QqQ/MS method.

Compound	LOQ (ng/mL)	LOQ (ng/mL)	Dynamic Linear Range	Correlation Coefficient	%Accuracy 2000ng/mL	%Recovery 2000ng/ml	%Accuracy 200ng/mL	%Recovery 200ng/ml	% RSD 2000ng/mL	%RSD 200ng/mL
3-HBA	0.312	0.624	0.312–10222.5	0.9986	−5.97	87.35	−13.35	73.62	8.50	3.36
3-HPAA	3.77	7.54	1.600–1638.9	0.9974	5.58	91.99	−12.86	100.93	12.87	16.82
4-HBA	0.240	0.480	0.970–7944.5	0.9982	−7.69	94.49	−18.38	71.75	5.61	4.83
3-HPPA	3.28	6.56	0.448–7333.3	0.9967	−0.88	101.13	−13.88	96.65	6.65	4.49
diHCA	1.57	3.15	0.393–6444.5	0.9995	−2.43	101.11	−10.97	99.11	7.23	4.96
VA	1.00	3.99	0.498–8166.8	0.9988	0.11	102.04	−6.47	93.83	9.89	8.19
HVA	1.17	2.33	0.583–9555.5	0.9999	2.35	97.83	−10.62	119.16	7.70	5.12
3,4-diHBA	1.17	2.35	0.587–9611.1	0.9981	9.07	97.58	−2.79	89.04	14.27	8.79
3,4-diHPAA	3.50	7.00	0.875–7166.8	1.0000	16.7	108.18	−5.27	134.82	18.80	8.61
HA	6.18	12.37	1.546–6333.25	0.9984	−41.86	57.9	−15.53	93.72	18.72	15.70
p-CA	1.87	3.74	0.468–7666.8	0.9994	18.08	105.55	−4.79	145.26	18.01	9.82
3,4-diHPPA	0.94	3.74	0.468–7666.8	0.9995	9.19	113.37	−22.42	132.14	18.89	6.58
GA	0.51	1.02	0.507–8333.25	0.9999	1.36	91.08	−5.30	121.62	14.29	11.07
4-HPVA	0.96	1.93	0.963–7889.0	0.9993	22.85	115.79	5.71	114.14	12.65	6.54
FA	3.28	6.56	1.641–1680.6	0.9989	50.5	137.31	0.68	93.04	11.22	11.31
CA	1.49	5.97	1.491–1527.8	0.9969	15.40	125.38	−7.09	153.58	4.35	11.31
EC	0.98	3.91	0.488–8000.0	0.9976	−42.39	78.17	−29.94	72.16	6.39	6.82
C	1.13	2.25	0.563–9222.3	0.9997	−45.11	73.53	−18.99	79.24	12.84	7.63

Method was validated for in vitro analysis of phenolic acids in bacterial broth samples. Blank broth samples were spiked with concentrations of ca.200 ng/mL andca.2000 ng/mL, with accuracy (%), recovery (%) and RSD (%) determined at both concentrations. Abbreviations are the same as in Table 1.