Accumulation patterns of major bioactive components in two chemotypes of Agastache rugosa during flower development evaluated by GC-QQQ-MS/MS and UPLC-QTOF-MS/MS analyses

Abstract

Agastache rugosa (AR) is a wildly cultivated medicinal and aromatic crop, which usually recommended to be harvested when the plant is exuberant with not flowering or in full flower stage. But there is no scientific basis for the support of the cognition. Therefore, the accumulation patterns of major active components during flower development (inflorescences with buds, full bloom and after full bloom stages) in two chemotypes (menthone type and estragole type) of AR were investigated by newly developed GC–QQQ–MS/MS and UPLC–QTOF–MS/MS methods. Five volatile (pulegone, menthone, estragole, methyleugenol and β -caryophyllene) and nine non-volatile components (rosmarinic acid, tilianin, acacetin 7- O -(6"- O -malonyl)- β - D -glucopyranoside, apigenin, agastachoside, isoagastachoside, acacetin 7- O -(2"- O -acetyl-6"- O -malonyl)- β - D -glucopyranoside, cirsimaritin and acacetin) in two chemotypes of AR samples at three stages were simultaneously quantified. It was found that the relatively higher contents of main volatile components were present in menthone type of AR collected at the full flower stage and in estragole type of AR at the after full bloom stage, whereas the relatively higher contents of main non-volatile components were present in menthone type of AR collected at the inflorescences with buds stage and in estragole type of AR at the after full bloom stage. Considering major active volatile and non-volatile components with higher levels, full bloom stage and after full bloom stage should be optimal harvesting time for menthone type and estragole type of AR, respectively. • GC–QQQ–MS/MS and UPLC–QTOF–MS/MS methods developed to quantify components of AR. • Both menthone and estragole chemotype AR at flowering stages were investigated. • Accumulation patterns of both volatile and non-volatile components of AR were revealed. • Full bloom and after full bloom stage are optimal harvesting time for menthone and estragole type of AR.