Table 1.

List of identified and putatively identified compounds in V. vinifera leaf and green pruning residue (GPR) extracts. For each analyte, retention time, UV maximum(a), pseudomolecular ions, and fragment ions obtained by product ion scan mode (PIS) and identified or tentatively identified compound names are given. Identification confidence values and references are also included.

N°	tR (min)	λ max (nm)	[M + H]+ m/z	[M − H]− m/z	Mol. Weight (g/mol)	M2+ m/z	M2− m/z	Aglycon (g/mol)	Compound Name †	Leaves	GPRs	Identification Level §	References
1	1.2	277	/	331	/	/	59,71,89,123,151,169,211	/	Galloylglucose	X	X	2	[39]
2	4.6	326/244	/	311	312	/	/	/	Caftaric acid	X	X	1	[27,40]
3	18.6	273	/	631	/	/	613, 479,445, 301, 273, 229	/	Hydrolyzable tannin	n.d.	X	3	[39,41,42]
4	19.6	SH 280	1431	1429	1430	321,303	753	/	Hydrolyzable tannin	n.d.	X	3	[41]
5	20.7	273	1431	1429	1430	1057,849,427,303	753	/	Hydrolyzable tannin	n.d.	X	3	[41]
6	22.1	SH 280	/	861,815,779	/	/	751, 301, 273	/	Hydrolyzable tannin	n.d.	X	3	[41,42]
7	22.9	348	495	493	494	319	317	318	Myricetin glucuronide	X	X	2	[23]
8	24.3	275	803	801	802	153, 337, 633	765	/	Vitilagin or isovitilagin	X	X	3	[43]
9	25.1	356	611	609	610	303	301	302	Rutin	X	X	1	[23,28,40]
		353	465	463	464	303	301	302	Hyperoside	X	X	1	[23,40]
10	25.5	254/352	465	463	464	303	301	302	Quercetin 3-O-glucoside	X	X	1	[23,40]
11	26	255/352	479	477	478	303	301	302	Quercetin 3-O-glucuronide	X	X	1	[23,40]
12	26.7	266/350	595	593	594	287	285	286	Kaempferol 3-O-rutinoside	X	X	1
13	27.2	271/353	625	623	624	317	315	316	Isorhamnetin O-dihexoside (glucose+rhamnose)	X	X	2
		271	479	477	478	317	315	316	Isorhamnetin hexoside	X	X	2
14	27.5	264/349	449	447	448	287	285	286	Kaempferol 3-O-glucoside	X	X	1	[23,27,40]
		264/349	551	549	550	303	301	302	Quercetin malonylhexoside	X	X	2
15	28.3	272/352	493	491	492	317	315	316	Isorhamnetin glucuronide	X	X	2
16	29.5	275/353	535	533	534	287	285	286	Kaempferol malonylhexoside	X	X	2
17	30.2	275	565	563	564	317	315	316	Isorhamnetin malonylhexoside	X	X	2
		275	229	227	228	/	/	/	Resveratrol	traces	n.d.	1	[28]
18	36.4	368	303	301	302	/	/	/	Quercetin	X	X	1	[23,28]
19	37.5	368	317	315	316	/	/	/	Isorhamnetin	X	X	1	[23]
20	38.5	366	287	285	286	/	/	/	Kaempferol	X	X	1	[23,28]

^† In bold, the name of the compounds identified by comparison with authentic commercial reference standards. ^§ Identification confidence as stipulated by the CAWG:46: Level 1, identified compound (a minimum of two independent and orthogonal data, such as retention time and mass spectrum) compared directly relative to an authentic commercial reference standard; Level 2, putatively annotated compound (compound identified by analysis of spectral data and/or similarity to data in a public database); and Level 3, putatively characterized compound class level.