Table 1.

UHPLC-MS parameters of the investigated analytes (n = 12).

Compound	Adduct	Chemical	RT	Measured	Theoretical	Accuracy
	Ion	Formula	(min)	Mass (m/z)	Mass (m/z)	(Δ mg/kg)
5-CQA	[M−H]−	C16H18O9	3.11	353.08790	353.08780	0.03
3-pCoQA	[M−H]−	C16H18O8	3.13	337.09232	337.09289	−1.69
3-FQA	[M−H]−	C17H20O9	3.18	367.10303	367.10346	−1.17
Caffeine *	[M+H]+	C8H10N4O2	3.25	195.08757	195.08765	−0.41
4-CQA *	[M−H]−	C16H18O9	3.31	353.08768	353.08780	−0.34
5-pCoQA	[M−H]−	C16H18O8	3.32	337.09290	337.09289	0.03
3,4-diCQA *	[M−H]−	C25H24O12	3.36	515.12103	515.11950	2.97
4+5-FQA	[M−H]−	C17H20O9	3.38	367.10309	367.10346	−1.01
4,5-CFQA	[M−H]−	C26H26O12	3.43	529.13495	529.13245	4.72
3-CQA	[M−H]−	C16H18O9	3.51	353.08762	353.08780	−0.51
3,5-diCQA	[M−H]−	C25H24O12	3.56	515.11993	515.11950	0.83
3,4-FCQA	[M−H]−	C26H26O12	3.67	529.13247	529.13245	0.04

* Compounds in bold were quantified using the real standard.