LC-ESI-tandem MS and in silico ADMET analysis of polyphenols from Rhus coriaria L. and Micromeria fruticosa (L.) Druce ssp. brachycalyx P. H. Davis

Future Journal of Pharmaceutical Sciences

Table 2 Identification of polyphenols in M. fruticosa spp. brachycalyx by LC-ESI-tandem MS data

Rt (min)	[M–H]⁻	Other MS–MS ions (m/z)	Tentative identification	References
3.7679	683.2282	341, 251, 179, 89	Hexose polymer	[18]
12.7601	353.8721	265, 191, 161,135,111,85,44	5-O-caffeoylquinic acid	[19]
12.9454	191.0565	171, 127, 111, 93, 85, 67,59,44	Quinic acid	*
13.0547	179.0359	152,135,107,89,71,59,41	Caffeic acid	*
15.6230	353.0936	335,271,173,135,93,43	Shikimoyl-hexose	[20]
16.6920	221.0484	203,177,159,148,133,115,77,55	Derivative of methoxy coumarin	[21]
18.2498	461.0753	417,323,285,221,161,113,44	Kaempferol glucuronide	[22]
18.3257	609.1546	300,271,151	Rutin	*
18.4434	439.1450	395,330,221,161,133,89,59	Malonyl-monocqa	[23]

^*Compounds identified by comparing retention times and MS data with those of reference compounds