Discrimination and quality evaluation of fifteen components in Stauntonia hexaphylla leaves from different harvest time by HPLC–PDA–ESI–MS/MS and ELSD coupled with multivariate statistical analysis and anti-inflammatory activity evaluation

Gao, Dan; Vinh, Le Ba; Cho, Chong Woon; Cho, Kyoung Won; Kim, Young Ho; Kang, Jong Seong

doi:10.1186/s13765-020-00540-y

Applied Biological Chemistry

Table 2 Identification of chemical constituents in the leaves of S. hexaphylla by HPLC–PDA–ESI–MS/MS

From: Discrimination and quality evaluation of fifteen components in Stauntonia hexaphylla leaves from different harvest time by HPLC–PDA–ESI–MS/MS and ELSD coupled with multivariate statistical analysis and anti-inflammatory activity evaluation

Peak	tR	Formula	Identification	MW	[M+NH4]⁺/[M+H]⁺	[M−H]⁻/[M+HCOO]⁻	Fragment ions (m/z)
1	20.1	C₁₆H₁₈O₉	Neochlorogenic acid^b	354.2	355.3	353.6	163.2, 145.5, 135.7
2	25.3	C₁₆H₁₈O₉	Chlorogenic acid^b	354.2	355.3	353.6	163.2, 145.5, 135.7
3	28.8	C₁₆H₁₈O₉	Cryptochlorogenic acid^b	354.2	355.3	353.6	163.2, 145.5, 135.7
4	31.4	C₂₆H₂₈O₁₃	YJ-002	548.2	549.3	547.1	271.1 [M−Ara − Rha + H]⁺
5	40.1	C₅₃H₈₈O₂₁	Anhuienside C^a,b	1058.6	1076.6	1057.4/1103.4	735.5 [M−Glc − Glc + H]⁺, 589.5 [M−Glc − Glc − Rha + H]⁺, 439.4 [M−Glc − Glc − Rha − Ara − H₂O + H]⁺
6	47.2	C₅₃H₈₆O₂₂	Hederacoside D^b	1075.2	1092.6	1074.4/1119.4	603.6 [M−Rha − Glc − Glc + H]⁺, 437.4 [M−Rha − Glc − Glc − Ara − 2H₂O + H]⁺
7	48.1	C₅₉H₉₆O₂₆	ciwujianoside A2^a,b	1204.4	1222.6	1203.4/1249.4	928.5 [M−Glc − Ara + NH₄]⁺, 765.5 [M−Glc − Ara − Rha + H]⁺, 603.2 [M−Glc − Ara − Rha − Glc + H]⁺,423.4 [M−Glc − Ara − Rha − Glc − Glc − H₂O + H]⁺
8	50.4	C₆₅H₁₀₆O₃₀	Akebia saponin D	928.5	946.6	973.4	587.5 [M−Glc − Glc − H₂O + H]⁺, 455.5 [M−Glc − Glc − Ara − H₂O + H]⁺, 437.5 [M−Glc − Glc − Ara − 2H₂O + H]⁺
9	53.5	C₅₇H₉₀O₂₅	Mutongsaponin E^a,b	1174.6	1192.6	1173.6/1219.4	722.6 [M−Rha − Glc − Glc + NH₄]⁺, 555.5 [M−Rha − Glc − Glc − Ara − H₂O + H]⁺, 423.4 [M−Rha − Glc − Glc − Ara − Ara − 2H₂O + H]⁺
10	54.1	C₅₉H₉₆O₂₆	Ciwujianoside A1^b	1220.4	1238.6	1219.4/1265.7	768.6 [M−Rha − Glc − Glc + NH₄]⁺, 606.2 [M−Glc − Glc − Rha − Glc + NH₄]⁺, 457.4 [M−Rha − Glc − Glc − Glc − Ara + H]⁺, 439.4 [M−Rha − Glc − Glc − Glc − Ara − H₂O + H]⁺
11	54.9	C₅₂H₈₂O₂₁	Yemuoside YM12	1042.2	1060.7	1041.4/1087.4	914.6 [M−Rha + NH₄] + , 782.6 [M−Rha − Ara + NH₄]⁺, 423.4 [M−Rha − Ara − 2Glc − H₂O + H]⁺
12	57.3	C₄₈H₇₈O₁₈	Cussonoside A	942.5	943.6/960.7	987.5	797.7 [M−Rha + H]⁺, 455.4 [M−Rha − Glc − Glc − H₂O + H]⁺, 437.4 [M−Rha − Glc − Glc − 2H₂O + H]⁺
13	58.3	C₅₉H₉₆O₂₆	Araliasaponin II	1074.5	1092.7	1073.4/1119.4	798.6 [M−Ara − Glc + NH₄]⁺, 619.3 [M−Ara − Glc − H]⁺, 457.3 [M−Ara − Glc − Glc − Glc + H]⁺, 439.4 [M−Ara − Glc − Glc − Glc + H−H₂O + H]⁺,
14	59.8	C₅₈H₉₀O₂₈	Hexaphyloside A^a,b	1191.6	1208.6	1159.5/1235.4	738.6 [M−Rha − Glc − Glc + NH4]⁺, 457.4 [M−Rha − Glc − Glc − Ara − Ara + H]⁺, 439.4 [M−Rha − Glc − Glc − Glc − Ara − H₂O + H]⁺
15	62.5	C₅₃H₈₆O₂₁	Ciwujianoside C3^a,b	1058.6	1076.7	1057.4/1103.4	944.7 [M−Ara + NH₄]⁺, 457.4 [M−Ara − Rha − Glc − Glc + H]⁺, 439.4 [M−Ara − Rha − Glc − Glc − H₂O + H]⁺

a: The compound was reported for SHL for the first time
b: The compound was confirmed by comparison with reference standards
Ara: α-l-arabinopyranosyl; Glc: β-d-glucopyranosyl; Rha: α-l-rhamnopyranosyl

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