Using Natural Products Application Solution with UNIFI to Identify Chemical Ingredients and Deduce Possible Herbal Composition from Unknown Traditional Medicine Tablets

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Lirui Qiao, Rob Lewis, Alex Hooper, James Morphet, Xiaojie Tan, Kate Yu
Content Type:
Application Notes
Content Subtype:
Application Notes
Related Products:
Xevo G2-S QTof

This application note has described the overall workflow obtained by applying the Natural Products Application Solution with UNIFI to identify and deduce chemical and herbal composition for unknown samples. The workflow progressed from an initial non-targeted screening into a targeted screening process.

Sample analysis by UPLC/QTof MS required just 14 minutes. The initial non-targeted screening identified 37 major chemical ingredients, which clearly showed association with DanShen (salvia miltiorrhiza) and SanQi (panax notoginseng). By searching the known TCM recipes from the Internet, ingredients related to relevant herbs (salvia miltiorrhiza, panax notoginseng, Panax quinquefolius, and Crataegi fructus) were matched against components detected from experiment data for the second time. As a result, among the 103 chemical ingredients associated with salvia miltiorrhiza and panax notoginseng within the Traditional Medicine Library, 59 were identified and confirmed. No match was found to match any of the major chemical ingredients related to the other two potential herbs, Panax quinquefolius and Crataegi fructus. This led to our final conclusion that the unknown product could be either a Sanqi Danshen or Compound DanShen tablet.

The Natural Products Application Solution with UNIFI is based on UPLC/QTof MSE data acquisition, accompanied by the Traditional Medicine Library, which are integrated with an automatic identification process within UNIFI Software. This is a novel approach for ingredient analysis of total unknown samples. The result is the reduction of the blindness of such a research and significant enhancement of productivity.

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