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. 2018 Jan 10;8(5):2459–2468. doi: 10.1039/c7ra10143k

The identification iridoid glycosides of L. rotata by UPLC-Q/TOF-MSa.

Peak no. RT (min) Compound Formula Calculated (Da) Selected ion Precursor ion (Da) Mass accuracy (ppm) Root part Aerial part
1 3.765 7-epi-Phlomiol C17H26O13 438.1373 [M + Na]+ 461.1275 0.4 ✓ ✓
2 4.056 Schismoside C17H26O12 422.1424 [M + Na]+ 445.1308 −3.6 — ✓
3 4.969 5-Deoxypulchelloside I C17H26O11 406.1475 [M + Na]+ 429.1360 −3.5 ✓ ✓
4 5.428 Phlorigidoside C. C17H24O11 404.1319 [M + Na]+ 427.1221 0.5 ✓ ✓
5 5.665 Loganic acid C16H24O10 376.1370 [M + Na]+ 399.1263 −1.8 ✓ ✓
6 6.057 Unknown C17H24O11 404.1319 [M + Na]+ 427.1209 −2.3 — ✓
7 7.092 Lamalbide C17H26O12 422.1424 [M + Na]+ 445.1325 0.2 ✓ ✓
8 8.599 Penstemoside C17H26O11 406.1475 [M + Na]+ 429.1402 6.3 ✓ ✓
9 8.802 Sesamoside C17H24O12 420.1268 [M + Na]+ 443.1158 −2.3 ✓ ✓
10 10.093 Unknown C16H24O12 408.1267 [M + Na]+ 431.1163 −0.9 ✓ ✓
11 10.127 8-O-Acetylshanzhiside C18H26O12 434.1424 [M + Na]+ 457.1318 −1.3 ✓ ✓
12 10.668 Shanzhiside methyl ester C17H26O11 406.1475 [M + Na]+ 429.1360 −3.5 ✓ ✓
13 10.972 10-Methylixoside C17H22O11 402.1162 [M + Na]+ 425.1046 −3.8 ✓ ✓
14 11.398 6-O-Acetylshanzhiside methyl ester C19H28O12 448.1581 [M + Na]+ 471.1484 0.6 ✓ ✓
15 11.736 Unknown C17H22O11 402.1162 [M + Na]+ 425.1046 −3.8 — ✓
16 11.803 Phloyoside II C17H25ClO12 456.1034 [M + Na]+ 479.0951 3.5 ✓ ✓
17 11.972 5-Desoxylamiide C17H26O11 406.1475 [M + Na]+ 429.1360 −3.5 — ✓
18 12.840 Chlorotuberroside C17H25ClO11 440.1085 [M + Na]+ 463.1010 5.4 ✓ ✓
19 13.466 7,8-Dehydropenstemo side C17H24O11 404.1319 [M + Na]+ 427.1221 0.5 ✓ ✓
20 13.737 7,8-Dehydropenstemonoside C17H20O10 388.1369 [M + Na]+ 411.1280 2.7 ✓ ✓
21 13.906 Zaluzioside C17H24O11 404.1319 [M + Na]+ 427.1221 0.5 ✓ ✓
22 14.703 Deoxypulchelloside I C17H26O11 406.1475 [M + Na]+ 429.1360 −3.5 ✓ ✓
23 15.332 Loganin C17H26O10 390.1526 [M + Na]+ 413.1412 −3.4 ✓ ✓
24 17.231 8-O-Acetylshanzhiside methyl ester C19H28O12 448.1581 [M + Na]+ 471.1484 0.6 ✓ ✓
25 17.772 Unknown C16H24O12 408.1267 [M + Na]+ 431.1171 0.9 ✓ ✓
26 18.231 7-epi-Loganin C17H26O10 390.1526 [M + Na]+ 413.1417 −2.2 ✓ ✓
a

✓ have been detected, — not have been detected.