Table 3. Phenolic Compounds Tentatively Identified in Four Sweet Cherry Samples Using LC–ESI–QTOF–MS².

no.	compound name	formula	RT	mode	molecular weight	theoretical weight	observed weight	mass error	MS/MS product ion	cherry samples
phenolic acids
hydroxybenzoic acids
1	gallic acid 4-O-glucoside	C13H16O10	10.862	[M – H]−	332.0743	331.0670	331.0676	1.8	169, 125	LA
2	ellagic acid	C14H6O8	28.283	[M – H]−	302.0063	300.999	300.9997	2.3	284, 229, 201	LA
3	gallic acid	C7H6O5	11.129	[M – H]−	170.0215	169.0142	169.0136	–3.6	125	LA
4	2-hydroxybenzoic acid	C7H6O3	17.82	b[M – H]−	138.0317	137.0244	137.0241	–2.2	93	aME, LA
hydroxycinnamic acids
5	caffeoyl glucose	C15H18O9	15.893	[M – H]−	342.0951	341.0878	341.0865	–3.8	179, 161	aRO, ME
6	feruloyl tartaric acid	C14H14O9	21.48	[M – H]−	326.0638	325.0565	325.0554	–3.4	193, 149	ME
7	caffeic acid 3-O-glucuronide	C15H16O10	10.988	[M – H]−	356.0743	355.0670	355.0664	–1.7	179	LA
8	caffeic acid	C9H8O4	21.426	[M – H]−	180.0423	179.0350	179.0353	1.7	143, 133	ME
9	3-caffeoylquinic acid	C16H18O9	18.18	b[M – H]−	354.0951	353.0878	353.087	–2.3	253, 190, 144	aME, LA
10	rosmarinic acid	C18H16O8	33.348	b[M – H]−	360.0845	359.0772	359.0782	2.8	179	aBI, ME, LA
hydroxyphenylpropanoic acids
11	dihydroferulic acid 4-O-glucuronide	C16H20O10	23.06	[M – H]−	372.1056	371.0983	371.0994	3.0	195	ME
flavonoids
anthocyanins
12	petunidin 3-O-(6″-acetyl-glucoside)	C24H25O13	27.386	[M + H]+	521.1295	522.1368	522.1358	–1.9	317	RO
dihydroflavonols
13	dihydroquercetin	C15H12O7	29.23	[M – H]−	304.0583	303.051	303.0508	–0.7	285, 275, 151	BI
flavanols
14	(+)-gallocatechin	C15H14O7	18.333	b[M – H]−	306.0740	305.0667	305.0678	3.6	261, 219	aRO, BI, LA
flavanones
15	neoeriocitrin	C27H32O15	18.095	[M – H]−	596.1741	595.1668	595.1665	–0.5	431, 287	ME
16	hesperetin 3’-O-glucuronide	C22H22O12	33.977	b[M – H]−	478.1111	477.1038	477.1041	0.6	301, 175, 113, 85	aBI, LA
flavones
17	rhoifolin	C27H30O14	29.968	b[M – H]−	578.1636	577.1563	577.1562	–0.2	413, 269	aLA, ME
18	cirsilineol	C18H16O7	81.137	b[M + H]+	344.0896	345.0969	345.0952	–4.9	330, 312, 297, 284	aLA, BI
19	6-hydroxyluteolin 7-O-rhamnoside	C21H20O11	28.336	b[M – H]−	448.1006	447.0933	447.0951	4.0	301	aME, RO, LA
20	apigenin 7-O-apiosyl-glucoside	C26H28O14	54.219	[M + H]+	564.1479	565.1552	565.1536	–2.8	296	aLA, ME
21	apigenin 6,8-di-C-glucoside	C27H30O15	26.834	b[M – H]−	594.1585	593.1512	593.1514	0.3	503, 473	aME, RO, LA
22	diosmin	C28H32O15	46.582	[M + H]+	608.1741	609.1814	609.1793	–3.4	301, 286	LA
23	chrysoeriol 7-O-glucoside	C22H22O11	48.752	b[M + H]+	462.1162	463.1235	463.1216	–4.1	445, 427, 409, 381	aLA, RO
flavonols
24	isorhamnetin	C16H12O7	40.88	b[M – H]−	316.0583	315.051	315.0517	2.2	300, 271	aRO, LA
25	kaempferol 3-O-xylosyl-glucoside	C26H28O15	47.957	[M + H]+	580.1428	581.1501	581.1479	–3.8	419, 401, 383	LA
26	myricetin 3-O-galactoside	C21H20O13	21.97	[M – H]−	480.0904	479.0831	479.0819	–2.5	317	LA
27	isorhamnetin 3-O-glucuronide	C22H20O13	37.33	[M – H]−	492.0904	491.0831	491.0814	–3.5	315, 300, 272, 255	aLA, RO
28	quercetin 3’-O-glucuronide	C21H18O13	25.242	b[M – H]−	478.0747	477.0674	477.0687	2.7	301	aME, LA
29	myricetin 3-O-rhamnoside	C21H20O12	25.077	b[M – H]−	464.0955	463.0882	463.0885	0.6	317	aME, LA
isoflavonoids
30	3’-hydroxydaidzein	C15H10O5	48.04	[M + H]+	270.0528	271.0601	271.0599	–0.7	241, 225, 213, 181	LA
31	3’-hydroxymelanettin	C16H12O6	54.602	b[M – H]−	300.0634	299.0561	299.0568	2.3	284	aRO, LA
32	5,6,7,3′,4’-pentahydroxyisoflavone	C15H10O7	42.192	b[M + H]+	302.0427	303.0500	303.0488	–4.0	285, 257	LA
33	3’-hydroxygenistein	C15H10O6	54.699	b[M + H]+	286.0477	287.0550	287.0537	–4.5	269, 259	aLA, RO
34	tectorigenin 7-sulfate	C16H12O9S	38.291	[M – H]−	380.0202	379.0129	379.0121	–2.1	299	LA
35	dihydrobiochanin A	C16H14O5	82.413	[M + H]+	286.0841	287.0914	287.0908	–2.1	269, 203, 175	LA
36	3′,4′,7-trihydroxyisoflavanone	C15H12O5	45.058	b[M – H]-	272.0685	271.0612	271.0616	1.5	177, 151, 119, 107	aBI, LA
other polyphenols
hydroxycoumarins
37	esculetin	C9H6O4	20.746	[M – H]−	178.0266	177.0193	177.0189	–2.3	149, 133, 89	ME
hydroxybenzaldehydes
38	p-anisaldehyde	C8H8O2	8.069	b[M + H]+	136.0524	137.0597	137.0593	–2.9	122, 109	aLA, ME
other polyphenols
39	lithospermic acid	C27H22O12	35.255	[M – H]-	538.1111	537.1038	537.1048	1.9	493, 339, 295	BI
40	salvianolic acid B	C36H30O16	34.446	[M – H]−	718.1534	717.1461	717.1445	–2.2	519, 339, 321, 295	aBI, ME
phenolic terpenes
41	carnosic acid	C20H28O4	84.457	[M – H]−	332.1988	331.1915	331.1904	–3.3	287, 269	aME, RO
lignans
42	conidendrin	C20H20O6	49.365	[M + H]+	356.126	357.1333	357.1321	–3.4	339, 221, 206	LA
stilbenes
43	4-hydroxy-3,5,4′-trimethoxystilbene	C17H18O4	59.056	[M + H]+	286.1205	287.1278	287.1284	2.1	271, 241, 225	LA

^aCompound was detected in more than one sample; data presented in this table are from the asterisk sample.

^bCompounds were detected in both negative [M – H]⁻ and positive [M + H]⁺ modes of ionization, while only single-mode data are presented. RT stands for “retention time.” Abbreviation of cherry samples: Bing (BI), Ron’s (RO), Merchant (ME), and Lapins (LA).