FASSTrecords -- An SQLite database of Cosine based structural annotations of public metabolomics raw data

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Authors: Yasin El Abiead, Jeong In Seo, Vincent Charron‐Lamoureux, Michael J. Strobel, Wilhan Donizete Gonçalves Nunes, Haoqi Nina Zhao, Kine Eide Kvitne, Simone Zuffa, Helena Mannochio-Russo, Harsha Gouda, Cristina Bez, Abubaker Patan
+19 more Shipei Xing, Jasmine Zemlin, Ipsita Mohanty, Lindsey A. Burnett, Julius Agongo, Andrés Mauricio Caraballo‐Rodríguez, Victoria Deleray, Abzer Kelminal Pakkir Mohamed Shah, Jarmo‐Charles Julian Kalinski, Daniel Petras, Nikiforos A. Alygizakis, Jeremy Carver, Özgür Yürekten, Thomas Payne, Eoin Fahy, Shankar Subramanian, Juan Antonio Vizcaíno, Mingxun Wang, Pieter Dorrestein
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Abstract

This is a stable version of the first FASSTrecords release. Please cite the StructureMASST paper (El Abiead et al., Nature Biotechnology, 2026) if you use this this database. Acknowledgements YE acknowledges the Chen Zuckerberg Initiative (CZI) and APART-USA (ÖAW) for funding. JIS acknowledges National Research Foundation of Korea(NRF) for funding (RS-2025-02373133). HNZ was supported by the National Institute Of Environmental Health Sciences of the National Institutes of Health under Award Number K99ES037746. HG acknowledges the CCFA for funding. CB acknowledges the MSCA-GF for funding. SX is supported by BBSRC/NSF award 2152526, National Institute of Health Sciences U24DK133658 and Chan Zuckerberg Initiative. PCD acknowledges support from NIDDK U24DK133658, Chan Zuckerberg Initiative for supporting development of FASSTrecords, NSF-BBSRC 2152526 and EnvedaGives Scientific Research Fund for enabling this work. A.M.C.-R. and P.C.D. were supported by the Gordon and Betty Moore Foundation grant GBMF12120. J.A.V. acknowledges support from Chan Zuckerberg Initiative [2024-350548], BBSRC [BB/W000156/1] and EMBL core funding. SS acknowledges support from NIDDK U24DK141185, NIDDK U2CDK119886, and Chan Zuckerberg Initiative for MetabolomicsXChange. Reproductive Scientist Development Program Grant supports L.A.B. DP was supported by the Simons Foundation International (Award ID: SFI-LS-ECIAMEE-00013858). MW acknowledges support by NIH 5U24DK133658 and NIH 2R01GM107550. We acknowledge Janne Heirman and Wout Bittremieux for enabling us to use falcon before the official publication date. Competing Interests Statement P.C.D. is an advisor and holds equity in Cybele, BileOmix, Sirenas and a scientific co-founder, advisor, holds equity and/or received income from Ometa, Enveda, and Arome with prior approval by UC San Diego. P.C.D. also consulted for DSM animal health in 2023. L.A.B. consulted for Locus Biosciences with prior approval from UC San Diego. MW is a co-founder of Ometa Labs LLC. The remaining authors declare no conflicts of interest.

Fields of Study & Subjects

Metabolomics and Mass Spectrometry Studies Microbial Metabolic Engineering and Bioproduction Computational Drug Discovery Methods

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
1 January 2026
Language
EN
Document type
Dataset