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Table 3 Characterization of chemical constituents in Qinjiao by UHPLC-QTOF–MS in ESI-mode

From: Integrated quality evaluation strategy for multi-species resourced herb medicine of Qinjiao by metabolomics analysis and genetic comparation

No.tR/minObserved massMolecular weightMolecular formulaMS/MS fragments ions (m/z)Identified compound
1a0.87341.1086342.1161C12H22O11179.0562, 161.0459, 131.0351, 119.0350, 89.0241, 59.0135Sucrose
2b0.88387.1148388.1369C17H24O10341.1090, 195.0507,179.0562, 59.0238, 59.0136Swertiajaposide A
3*1.63191.0196192.0270C6H8O7111.0086, 87.0087, 67.0188, 57.0345Citric acid
4b2.56169.0870170.0943C9H14O3123.0806, 121.0663, 110.9975, 95.0503, 67.0559, 61.9881Isoboonein
5b2.73315.0719316.0794C13H16O9315.0723, 153.0181, 109.02935-(β-d-Glucopyranosyl)-2-hydroxybenzoic acid
6b2.99537.1828538.1897C22H34O15375.1297,221.0264, 213.0769, 169.0869, 113.0241, 179.0557, 89.0242, 69.0344Loganic acid 11-O-β-glucopyranosylester
7a3.31399.1258,376.1369C16H24O10213.0766, 169.0868, 151.0761, 119.3047, 113.0240, 89.0241, 69.0342, 59.0135Loganic acid
8a3.39451.1446406.1475C17H26O11405.1165, 243.0872, 141.0553, 101.0242, 89.0241, 59.0135Morroniside
9a3.42563.1620518.1635C22H30O14221.0659, 179.0552, 161.0449, 119.0343, 89.02376′-O-d-Glucosylgentiopicroside
10b4.49403.1245404.1319C17H24O11151.0764, 125.0242, 113.0243, 89.0243, 59.0137Qinjiaoside A
11b3.67519.1726520.1791C22H32O14519.1743, 323.0995, 213.0767, 151.0762, 125.0244, 59.0142Swertiapunimarin;6′-O-Glucopyranosylsweroside
12a3.73419.1193374.1212C16H22O10149.0605, 141.0188, 119.0347, 89.0238Swertiamarin
13b3.89389.1085390.1161C16H22O11183.0660, 165.0557, 121.0655, 89.0241, 69.0343Secologanoside
14a4.11401.1074356.1107C16H20O9149.0604, 119.0347, 89.0239, 71.0136, 59.0133Gentiopicorside
15b4.17531.1529532.1581C26H28O12235.0612, 191.0714, 173.0608, 163.0767, 149.0606, 89.0243Gentimacroside
16a4.4403.1244358.1263C16H22O9357.1193, 195.0666, 179.0564, 125.0241, 119.0347, 151.0763, 89.0242, 81.0343, 59.0136 9Sweroside
17a5.78447.0936448.1005C21H20O11429.1045, 369.0630, 357.0616, 327.0508, 297.0398, 285.0404, 61.9884Isoorientin
18a6.62431.0983432.1056C21H20O10341.0668, 323.0563, 311.0559, 283.0608, 281.0451Isovitexin
19b6.76477.1032432.1056C21H20O10431.0983, 323.0766, 315.0720, 161.0238, 153.0187, 152.0048Vitexin
20b7.04875.2236876.2324C40H44O22875.2251, 833.2133, 739.2096, 713.1740, 577.1562, 535.1466, 315.0723, 153.0191,Macrophylloside A
21a7.08301.0345302.0426C15H10O7193.0142, 149.0248, 121.0312Quercetin
22a7.19285.0397286.0477C15H10O6192.0061, 177.0194, 142.9487, 119.0135, 87.0237Kaempferol
23a9.89455.3531456.3604C30H48O3409.2535, 152.9962Ursolic acid
24a9.92455.3529456.3604C30H48O3409.2535, 152.9962Oleanolic acid
25b10.73255.2308256.2402C16H32O2255.2326, 237.2210Plamitic acid
26a13.5621.4381576.4390C35H60O6575.4681, 303.8955, 295.2278, 191.9469, 89.0241Daucosterol
27a14.5457.3658414.3862C29H50O457.3671, 411.3623β-Sitosterone
28a15.3439.3581440.3654C30H48O2439.3565, 421.3469Roburic acid
  1. aIdentified by comparing with the reference standards
  2. bPutative identifications by MS and MS2 fragmentations