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 1 Identification of polyphenols in R. coriaria by LC-ESI-tandem MS data

Rt (Min)	[M–H]⁻	Other MS–MS ions (M/Z)	Tentative identification	References
3.9634	331.0747	313, 271, 241, 211, 169, 151, 123, 89, 71, 59	Galloyl-hexoside	[13]
3.9293	655.1924	493, 433, 331, 311, 271, 169, 89, 59	Malvidin-3,5-O-diglucoside	[15]
4.0052	523.1408	331, 271, 191, 169, 123, 59	Galloyl-hexoside-hexoside	[13]
8.6787	663.1473	493, 331, 271, 169, 59	Galloyl-hexoside + galloyl-hexoside [2M–H]⁻	[13]
8.7205	493.1328	436, 313, 241, 211, 169, 123, 89, 59, 39	Galloyl-di-O-hexoside	[14]
10.1689	169.0157	125, 97, 79, 69, 51, 41, 25	Gallic acid	*
13.8988	359.1020	327, 299, 239, 197, 182, 169, 153, 123, 89, 59, 44	Syringic acid-O-hexoside	[16]
17.3932	197.0470	169, 124, 106, 78, 69, 53, 32	Syringic acid	*
20.5924	301.0310	283, 255, 223, 191, 165, 149, 138, 107, 65	Tricetin	[17]

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