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. 2020 Jan 31;25(3):631. doi: 10.3390/molecules25030631

Table 1.

Chromatographic and spectrometric optimized parameters including retention time, adduct ion, theoretical and measured mass (m/z), accuracy and sensibility for the investigated analytes (n = 22).

Compound Retention Time (min) Chemical Formula Adduct Ion Theoretical Mass (m/z) Measured Mass (m/z) Accuracy (Δ mg/kg) LOD (mg/kg) LOQ (mg/kg)
Catechin 7.65 C15H14O6 [M − H] 289.07176 289.07224 1.6605 0.0015 0.0046
Chlorogenic acid 8.13 C16H18O9 [M − H] 353.08780 353.08798 0.5098 0.0012 0.0036
Caffeic acid 8.24 C9H8O4 [M − H] 179.03498 179.03455 −2.4018 0.0007 0.0020
Epicatechin 8.51 C15H14O6 [M − H] 289.07176 289.07196 0.6919 0.0014 0.0043
Luteolin-7-O-glucoside 9.23 C21H20O11 [M − H] 447.09328 447.09366 0.8499 0.0008 0.0025
p-Coumaric acid 9.31 C9H8O3 [M − H] 163.04001 163.03937 −3.9254 0.0006 0.0018
Caffeoyl tyramine 9.46 C17H17NO4 [M − H] 298.10848 298.10910 2.0798 - -
Rutin 9.79 C27H30O16 [M − H] 609.14611 609.14624 0.2134 0.0012 0.0035
Ferulic acid 9.88 C10H10O4 [M − H] 193.05063 193.05016 −2.4346 0.0018 0.0054
Quercetin-3-glucoside 9.93 C20H20O12 [M − H] 463.08820 463.08862 0.9070 0.0017 0.0052
Kaempferol-3-O-glucoside 10.36 C21H20O11 [M − H] 447.09323 447.09360 0.8276 0.0008 0.0025
Apigenin-7-glucoside 10.36 C21H20O10 [M − H] 431.09837 431.09836 −0.0232 0.0004 0.0013
Cannabisin A 10.54 C34H30N2O8 [M − H] 593.19294 593.19281 −0.2192 - -
Quercetin 11.00 C15H10O7 [M − H] 301.03538 301.03508 −0.9966 0.0021 0.0064
Luteolin 11.25 C15H10O6 [M − H] 285.04046 285.04050 0.1403 0.0004 0.0012
Cannabisin B 11.41 C34H32N2O8 [M − H] 595.20859 595.20709 −2.5201 - -
Kaempferol 11.60 C15H10O6 [M − H] 285.04046 285.04086 1.4033 0.0005 0.0014
Naringenin 11.78 C15H12O5 [M − H] 271.06120 271.06146 0.9592 0.0005 0.0015
Apigenin 11.85 C15H10O5 [M − H] 269.04555 269.04572 0.6319 0.0004 0.0011
Cannabisin C 12.34 C35H34N2O8 [M − H] 609.22424 609.22485 1.0013 - -
Cannflavin B 13.77 C21H20O6 [M − H] 367.11871 367.11871 0.000 - -
Cannflavin A 14.84 C26H28O6 [M − H] 435.18131 435.18143 0.2757 - -