Abstract
An offline three-dimensional liquid chromatography/high-resolution mass spectrometry system (3D-LC/HRMS) was developed for the in-depth metabolite profiling of Centella asiatica (Ji-Xue-Cao), an edible medicinal herb. The first-dimensional ion exchange chromatography (IEC) efficiently separated triterpenoids and flavonoids into distinct groups. Subsequent orthogonal separations, hydrophilic interaction chromatography (HILIC) on an XAmide column (second dimension) and reversed-phase chromatography (RPC) on a Luna Omega Polar C18 column (third dimension), significantly improved the resolution of fractionated triterpenoids and flavonoids. High-definition ion-mobility quadrupole time-of-flight mass spectrometry (IM-QTOF-MS) facilitated MS/MS data determination, while automatic peak annotation of UNIFI TM and Global Natural Products Social Molecular Network (GNPS) enabled the identification or tentative characterization of 170 compounds from C. asiatica , involving 23 potentially new triterpenoids. Collision-cross section (CCS) value determination and prediction further resolved seven groups of isomeric compounds. This study establish a robust methodological framework for the efficient discovery and reliable characterization of unknown components relevant to food development.
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Claims 5
Claim · model-written summary
The 3D-LC/HRMS workflow enabled identification or tentative characterization of 170 compounds from Centella asiatica.
- Taxon
- C. asiatica
Centella asiaticae0 - Outcome
- identification or tentative characterizatione0
- Value
- 170 compoundse0
Organisms pictured · Representative pictures of the matched species, not figures from the paper.
Verbatim
e0“enabled the identification or tentative characterization of 170 compounds from C. asiatica”
Claim · model-written summary
Among the compounds characterized from Centella asiatica were 23 potentially new triterpenoids.
- Taxon
- Centella asiaticaCentella asiaticat0
- Outcome
- potentially new triterpenoidse0
- Value
- 23e0
Organisms pictured · Representative pictures of the matched species, not figures from the paper.
Verbatim
t0“Centella asiatica”
e0“involving 23 potentially new triterpenoids”
Claim · model-written summary
First-dimension ion exchange chromatography separated triterpenoids and flavonoids of Centella asiatica into distinct groups.
- Taxon
- Centella asiaticaCentella asiaticat0
- Outcome
- separated triterpenoids and flavonoids into distinct groupse0
Not reportedDirection
Organisms pictured · Representative pictures of the matched species, not figures from the paper.
Verbatim
t0“Centella asiatica”
e0“The first-dimensional ion exchange chromatography (IEC) efficiently separated triterpenoids and flavonoids into distinct groups”
Claim · model-written summary
HILIC and reversed-phase separations in the second and third dimensions significantly improved the resolution of the fractionated triterpenoids and flavonoids.
- Taxon
- Centella asiaticaCentella asiaticat0
- Outcome
- resolution of fractionated triterpenoids and flavonoidse0
- Direction
- improvede0
Organisms pictured · Representative pictures of the matched species, not figures from the paper.
Verbatim
t0“Centella asiatica”
e0“significantly improved the resolution of fractionated triterpenoids and flavonoids”
Claim · model-written summary
Collision-cross section value determination and prediction further resolved seven groups of isomeric compounds.
Verbatim
e0“Collision-cross section (CCS) value determination and prediction further resolved seven groups of isomeric compounds”