Creation of a Plant Metabolite Spectral Library for Untargeted and Targeted Metabolomics
Large-scale high throughput metabolomic technologies are indispensable components of systems biology in terms of discovering and defining the metabolite parts of the system. However, the lack of a plant metabolite spectral library limits the metabolite identification of plant metabolomic studies. He...
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-01-01
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| Series: | International Journal of Molecular Sciences |
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| Online Access: | https://www.mdpi.com/1422-0067/24/3/2249 |
| _version_ | 1797624387300491264 |
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| author | Yangyang Li Wei Zhu Qingyuan Xiang Jeongim Kim Craig Dufresne Yufeng Liu Tianlai Li Sixue Chen |
| author_facet | Yangyang Li Wei Zhu Qingyuan Xiang Jeongim Kim Craig Dufresne Yufeng Liu Tianlai Li Sixue Chen |
| author_sort | Yangyang Li |
| collection | DOAJ |
| description | Large-scale high throughput metabolomic technologies are indispensable components of systems biology in terms of discovering and defining the metabolite parts of the system. However, the lack of a plant metabolite spectral library limits the metabolite identification of plant metabolomic studies. Here, we have created a plant metabolite spectral library using 544 authentic standards, which increased the efficiency of identification for untargeted metabolomic studies. The process of creating the spectral library was described, and the mzVault library was deposited in the public repository for free download. Furthermore, based on the spectral library, we describe a process of creating a pseudo-targeted method, which was applied to a proof-of-concept study of Arabidopsis leaf extracts. As authentic standards become available, more metabolite spectra can be easily incorporated into the spectral library to improve the mzVault package. |
| first_indexed | 2024-03-11T09:41:41Z |
| format | Article |
| id | doaj.art-3f386ff3467a44439cafd7db1c112e90 |
| institution | Directory Open Access Journal |
| issn | 1661-6596 1422-0067 |
| language | English |
| last_indexed | 2024-03-11T09:41:41Z |
| publishDate | 2023-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | International Journal of Molecular Sciences |
| spelling | doaj.art-3f386ff3467a44439cafd7db1c112e902023-11-16T16:54:30ZengMDPI AGInternational Journal of Molecular Sciences1661-65961422-00672023-01-01243224910.3390/ijms24032249Creation of a Plant Metabolite Spectral Library for Untargeted and Targeted MetabolomicsYangyang Li0Wei Zhu1Qingyuan Xiang2Jeongim Kim3Craig Dufresne4Yufeng Liu5Tianlai Li6Sixue Chen7College of Horticulture, Shenyang Agricultural University, Shenyang 110866, ChinaDepartment of Biology, Genetics Institute, University of Florida, Gainesville, FL 32611, USADepartment of Biology, Genetics Institute, University of Florida, Gainesville, FL 32611, USAHorticultural Sciences Department, University of Florida, Gainesville, FL 32610, USAThermo Scientific Training Institute, West Palm Beach, FL 32407, USACollege of Horticulture, Shenyang Agricultural University, Shenyang 110866, ChinaCollege of Horticulture, Shenyang Agricultural University, Shenyang 110866, ChinaDepartment of Biology, Genetics Institute, University of Florida, Gainesville, FL 32611, USALarge-scale high throughput metabolomic technologies are indispensable components of systems biology in terms of discovering and defining the metabolite parts of the system. However, the lack of a plant metabolite spectral library limits the metabolite identification of plant metabolomic studies. Here, we have created a plant metabolite spectral library using 544 authentic standards, which increased the efficiency of identification for untargeted metabolomic studies. The process of creating the spectral library was described, and the mzVault library was deposited in the public repository for free download. Furthermore, based on the spectral library, we describe a process of creating a pseudo-targeted method, which was applied to a proof-of-concept study of Arabidopsis leaf extracts. As authentic standards become available, more metabolite spectra can be easily incorporated into the spectral library to improve the mzVault package.https://www.mdpi.com/1422-0067/24/3/2249metabolomicsspectral librarymzVaultpseudo-targeted methodArabidopsis |
| spellingShingle | Yangyang Li Wei Zhu Qingyuan Xiang Jeongim Kim Craig Dufresne Yufeng Liu Tianlai Li Sixue Chen Creation of a Plant Metabolite Spectral Library for Untargeted and Targeted Metabolomics International Journal of Molecular Sciences metabolomics spectral library mzVault pseudo-targeted method Arabidopsis |
| title | Creation of a Plant Metabolite Spectral Library for Untargeted and Targeted Metabolomics |
| title_full | Creation of a Plant Metabolite Spectral Library for Untargeted and Targeted Metabolomics |
| title_fullStr | Creation of a Plant Metabolite Spectral Library for Untargeted and Targeted Metabolomics |
| title_full_unstemmed | Creation of a Plant Metabolite Spectral Library for Untargeted and Targeted Metabolomics |
| title_short | Creation of a Plant Metabolite Spectral Library for Untargeted and Targeted Metabolomics |
| title_sort | creation of a plant metabolite spectral library for untargeted and targeted metabolomics |
| topic | metabolomics spectral library mzVault pseudo-targeted method Arabidopsis |
| url | https://www.mdpi.com/1422-0067/24/3/2249 |
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