Antioxidant and Anti-Inflammatory Profiles of Spent Coffee Ground Extracts for the Treatment of Neurodegeneration

Table 1

HPLC-MS/MS acquisition parameters, working as a dynamic “multiple reaction monitoring” mode, including retention time (Rt) and delta retention time (Δ Rt) for each transition.

No.	Compounds	Precursor ion (m/z)	Product ion (m/z)	Fragmentor (V)	Collision energy (V)	Polarity	Retention time (Rt) (min)	Delta retention time (Δ Rt)
1	Shikimic acid	173	173	87	0	Negative	1.40	3
			—	—	—	—
2	Gallic acid	169	125^a	92	12	Negative	2.37	3
			51		36
3	Loganic acid	375	213^a	126	8	Negative	3.13	3
			113		16
4	3-Caffeoylquinic acid	353	191^a	102	12	Negative	3.58	3
			179		12
5	Swertiamarin	419	179^a	100	4	Negative	4.89	3
			89		16
6	Gentiopicroside	357	177^a	50	10	Positive	5.33	3
			73		28
7	(+)-Catechin	289	245^a	121	8	Negative	5.48	3
			109		24
8	Delphinidin-3,5-diglucoside	463	300^a	165	24	Negative	5.64	3
			271		48
9	Sweroside	403	125^a	102	12	Negative	5.95	3
			179		4
10	5-Caffeoylquinic acid	353	191^a	92	12	Negative	6.22	3
			85		48
11	Caffeine	195	138^a	107	20	Positive	6.50	3
			110		24
12	Cyanidin-3-glucoside	449	287^a	121	20	Positive	6.50	3
			403		16
13	Vanillic acid	167	108^a	78	16	Negative	6.70	3
			152		8
14	Caffeic acid	179	135^a	87	12	Negative	6.87	3
			134		24
15	(-)-Epicatechin	289	245^a	126	8	Negative	7.03	3
			109		20
16	Syringic acid	197	182^a	92	8	Negative	7.48	3
			123		20
17	p-Coumaric acid	163	119^a	83	12	Negative	8.47	3
			93		32
18	Ferulic acid	193	134^a	88	12	Negative	9.16	3
			178		8
19	3,5-Dicaffeoylquinic acid	515	353^a	117	8	Negative	9.82	3
			191		28
20	Quinine	325	79^a	135	44	Positive	10.1	5
			81		32
21	Naringin	579	271^a	210	32	Negative	10.17	3
			151		48
22	Rutin	609	300^a	195	40	Negative	10.34	3
			271		50
23	Hyperoside	463	300^a	160	24	Negative	10.43	3
			271		44
24	trans-Cinnamic acid	149	131^a	44	8	Positive	10.79	3
			77		36
25	Resveratrol	227	185^a	131	12	Negative	10.92	3
			143		20
26	Amarogentin	585	227^a	145	16	Negative	11.05	3
			245		16
27	Kaempferol-3-glucoside	447	284^a	163	24	Negative	11.24	3
			227		50
28	Quercitrin	447	300^a	155	24	Negative	11.24	3
			301		16
29	Quercetin	301	151^a	126	16	Negative	13.03	3
			179		12
30	Isogentisin	257	242^a	116	16	Negative	16.31	3
			214		24

^aThese product ions were used for quantification; the others to confirm the analytes.