Traveling Wave Ion Mobility-Derived Collision Cross Section Database for Plant Specialized Metabolites: An Application to Ventilago harmandiana Pierre
2
Issued Date
2022-10-07
Resource Type
ISSN
15353893
eISSN
15353907
Scopus ID
2-s2.0-85139304142
Pubmed ID
36154058
Journal Title
Journal of Proteome Research
Volume
21
Issue
10
Start Page
2481
End Page
2492
Rights Holder(s)
SCOPUS
Bibliographic Citation
Journal of Proteome Research Vol.21 No.10 (2022) , 2481-2492
Suggested Citation
Jariyasopit N., Limjiasahapong S., Kurilung A., Sartyoungkul S., Wisanpitayakorn P., Nuntasaen N., Kuhakarn C., Reutrakul V., Kittakoop P., Sirivatanauksorn Y., Khoomrung S. Traveling Wave Ion Mobility-Derived Collision Cross Section Database for Plant Specialized Metabolites: An Application to Ventilago harmandiana Pierre. Journal of Proteome Research Vol.21 No.10 (2022) , 2481-2492. 2492. doi:10.1021/acs.jproteome.2c00413 Retrieved from: https://repository.li.mahidol.ac.th/handle/123456789/83581
Title
Traveling Wave Ion Mobility-Derived Collision Cross Section Database for Plant Specialized Metabolites: An Application to Ventilago harmandiana Pierre
Author's Affiliation
Other Contributor(s)
Abstract
The combination of ion mobility mass spectrometry (IM-MS) and chromatography is a valuable tool for identifying compounds in natural products. In this study, using an ultra-performance liquid chromatography system coupled to a high-resolution quadrupole/traveling wave ion mobility spectrometry/time-of-flight MS (UPLC-TWIMS-QTOF), we have established and validated a comprehensive TWCCSN2and MS database for 112 plant specialized metabolites. The database included 15 compounds that were isolated and purified in-house and are not commercially available. We obtained accurate m/z, retention times, fragment ions, and TWIMS-derived CCS (TWCCSN2) values for 207 adducts (ESI+and ESI-). The database included novel 158 TWCCSN2values from 79 specialized metabolites. In the presence of plant matrix, the CCS measurement was reproducible and robust. Finally, we demonstrated the application of the database to extend the metabolite coverage of Ventilago harmandiana Pierre. In addition to pyranonaphthoquinones, a group of known specialized metabolites in V. harmandiana, we identified flavonoids, xanthone, naphthofuran, and protocatechuic acid for the first time through targeted analysis. Interestingly, further investigation using IM-MS of unknown features suggested the presence of organonitrogen compounds and lipid and lipid-like molecules, which is also reported for the first time. Data are available on the MassIVE (https://massive.ucsd.edu, data set identifier MSV000090213).