MassBank: a public repository for sharing mass spectral data for life sciences
Open accessAbstract
MassBank is the first public repository of mass spectra of small chemical compounds for life sciences (<3000 Da). The database contains 605 electron‐ionization mass spectrometry(EI‐MS), 137 fast atom bombardment MS and 9276 electrospray ionization (ESI)‐MS n data of 2337 authentic compounds of metabolites, 11 545 EI‐MS and 834 other‐MS data of 10 286 volatile natural and synthetic compounds, and 3045 ESI‐MS 2 data of 679 synthetic drugs contributed by 16 research groups (January 2010). ESI‐MS 2 data were analyzed under nonstandardized, independent experimental conditions. MassBank is a distributed database. Each research group provides data from its own MassBank data servers distributed on the Internet. MassBank users can access either all of the MassBank data or a subset of the data by specifying one or more experimental conditions. In a spectral search to retrieve mass spectra similar to a query mass spectrum, the similarity score is calculated by a weighted cosine correlation in which weighting exponents on peak intensity and the mass‐to‐charge ratio are optimized to the ESI‐MS 2 data. MassBank also provides a merged spectrum for each compound prepared by merging the analyzed ESI‐MS 2 data on an identical compound under different collision‐induced dissociation conditions. Data merging has significantly improved the precision of the identification of a chemical compound by 21–23% at a similarity score of 0.6. Thus, MassBank is useful for the identification of chemical compounds and the publication of experimental data. Copyright © 2010 John Wiley & Sons, Ltd.
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Massbank, Massbank of North America, and GNPS are key active public MS/MS spectral library resources within the natural products field that include in aggregate 587,213 experimental MS/MS reference spectra.
“Massbank,161 Massbank of North America, and GNPS52 are key active public MS/MS spectral library resources within the natural products field that include in aggregate 587 213 experimental MS/MS reference spectra.”
From Connecting metabolome and phenotype: recent advances in functional metabolomics tools for the identification of bioactive natural products (2024) · cites this paper as [161]
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- Authors
- Horai, H., Arita, M., Kanaya, S., Nihei, Y., Ikeda, T., Suwa, K., Ojima, Y., Tanaka, K., Tanaka, S., Aoshima, K., Oda, Y., Kakazu, Y., Kusano, M., Tohge, T., Matsuda, F., Sawada, Y., Hirai, M. Y., Nakanishi, H., Ikeda, K., Akimoto, N., Maoka, T., Takahashi, H., Ara, T., Sakurai, N., Suzuki, H., Shibata, D., Neumann, S., Iida, T., Tanaka, K., Funatsu, K., Matsuura, F., Soga, T., Taguchi, R., Saito, K., & Nishioka, T.
- Affiliations
- Institute for Advanced Biosciences, Keio University (JP)
- RIKEN (JP)
- Nara Institute of Science and Technology (JP)
- The University of Tokyo (JP)
- University of Toyama (JP)
- Japan Science and Technology Agency (JP)
- Kyoto University (JP)
- Research Institute for Production Development (JP)
- Kazusa DNA Research Institute (JP)
- Leibniz Institute of Plant Biochemistry (DE)
- Nihon University (JP)
- Fukuyama University (JP)
- ORCID
- Arita, Masanori
- Kanaya, Shigehiko
- Tanaka, Kenichi
- Tanaka, Satoshi
- Aoshima, Ken
- Oda, Yoshiya
- Kusano, Miyako
- Tohge, Takayuki
- Matsuda, Fumio
- Sawada, Yuji
- Hirai, Masami Yokota
- Nakanishi, Hiroki
- Ikeda, Kazutaka
- Takahashi, Hiroki
- Ara, Takeshi
- Sakurai, Nozomu
- Suzuki, Hideyuki
- Shibata, Daisuke
- Neumann, Steffen
- Iida, Takashi
- Tanaka, Ken
- Funatsu, Kimito
- Soga, Tomoyoshi
- Taguchi, Ryo
- Saito, Kazuki
- Venue
- Journal of Mass Spectrometry
- Publisher
- Wiley
- Published
- 2010-07
- Volume
- 45
- Issue
- 7
- Pages
- 703-714
- ISSN
- 1076-5174 (ISSN-L)
- 1096-9888
- OpenAlex
- W2059327215
- Cited by
- 2,529
- References
- 22
- Citations by year
- 2026: 227 · 2025: 280 · 2024: 234 · 2023: 223 · 2022: 226 · 2021: 191 · 2020: 169 · 2019: 144 · 2018: 120 · 2017: 140 · 2016: 136 · 2015: 116 · 2014: 107 · 2013: 99 · 2012: 66
- FWCI
- 31.56
- Type
- journal article
- Language
- en
- Open access
- hybrid
- doi.org
- Locations
- Journal of Mass Spectrometry (publishedVersion, cc-by)
- PubMed (publishedVersion)
- Topics
- Physical Sciences › Chemistry › Spectroscopy › Mass Spectrometry Techniques and Applications
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Metabolomics and Mass Spectrometry Studies
- Physical Sciences › Chemistry › Spectroscopy › Advanced Proteomics Techniques and Applications
- Keywords
- MassBank, mass spectral database, public repositories, metabolites, natural products, synthetic drugs, collision-induced dissociation, compound identification, distributed databases, life sciences
- MeSH terms
- Pharmaceutical Preparations, Mass Spectrometry, Databases, Factual, Spectrometry, Mass, Electrospray Ionization, Information Dissemination
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