Mol. no. Retention time (min) Mass Compound name Diagnostic m /z ions 1 9.8 353 3-CQA 191, 179, 135 2 5.6 353 trans -4-CQA191, 135, 173, 179 3 5.1 353 trans -5-CQA191, 135 4 6.0 353 cis -4-CQA191, 135, 173, 179 5 5.9 353 cis -5-CQA191, 135 6 6.5 355 Feruroylglycoside 160,175 7 5.3 515 trans -5-CQA glycoside191, 135 8 6.4 515 cis -5-CQA glycoside191, 135 9 8.9 515 3, 4-di CQA 191, 179, 173, 135 10 9.1 515 cis -3, 5-di- CQA191, 179, 135 11 9.3 515 trans -3, 5-di- CQA191, 179, 135 12 9.5 515 trans -4, 5-di- CQA191, 179, 135 13 10.5 515 cis -4, 5-di- CQA191, 179, 135 14 5.3 337 3-p -CoQA 177 15 6.8 337 trans -5-p -CoQA191 16 7.5 337 cis -5-p -CoQA191 17 8.7 339 Coumaroyl-hexose 223, 164, 149 18 7.4 337 4-p -CoQA 173 19 7.4 367 trans -5-FQA191 20 8.0 367 cis -5-FQA191 21 10.7 367 4-FQA 173 22 10.3 367 3-FQA 193, 134 23 8.1 609 Quercetin-3-rutinoside 300 24 9.1 447 Kaempferol-3-glucoside 284 25 8.4 463 Quercetin-7-glucoside 300 26 8.8 593 Kaempferol-3-0-rutinoside 285 27 9.0 623 Isorhamnetin-3-0-rutinoside 315 28 8.7 447 Quercetin-3-rhamnoside 300 29 20.3 884 Solasonine 722, 576, 414 30 20.1 868 Solamargine 722, 576, 414
Note . CQA, caffeoylquinic acid;
di- CQA,
di -caffeoylquinic acid;
-CoQA,
-coumaroylquinic acid; FQA, feruloyquinic acids; mol no., molecule number; min, minutes;
m /
z , mass-to-charge ratio; DNP, dictionary of natural products 2015 [
37 ]; KMI, KNApSAcK Metabolites Information 2015 [
38 ].