MS-DIAL 4: accelerating lipidomics using an MS/MS, CCS, and retention time atlas

Tsugawa, H.; Ikeda, K.; Takahashi, M.; Satoh, A.; Mori, Y.; Uchino, H.; Okahashi, N.; Yamada, Y.; Tada, I.; Bonini, P.; Higashi, Y.; Okazaki, Y.; Zhou, Z.; Zhu, Z.-J.; Koelmel, J.; Cajka, T.; Fiehn, O.; Saito, K.; Arita, M.

doi:10.1101/2020.02.11.944900

bioRxiv · 10.1101/2020.02.11.944900

MS-DIAL 4: accelerating lipidomics using an MS/MS, CCS, and retention time atlas

Tsugawa, H.·Ikeda, K.·Takahashi, M.·Satoh, A.·Mori, Y.·Uchino, H.·Okahashi, N.·Yamada, Y.·Tada, I.·Bonini, P.·Higashi, Y.·Okazaki, Y.·Zhou, Z.·Zhu, Z.-J.·Koelmel, J.·Cajka, T.·Fiehn, O.·Saito, K.·Arita, M.

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Abstract

To the EditorWe formulated mass spectral fragmentations of lipids across 117 lipid subclasses and included ion mobility tandem mass spectrometry (MS/MS) to provide a comprehensive lipidome atlas with retention time, collision cross section, and MS/MS information. The all-in-one solution from import of raw MS data to export of a common output format (mztab-M) was packaged in MS-DIAL 4 (http://prime.psc.riken.jp/) providing an enhanced standardized untargeted lipidomics procedure following lipidomics standards initiative (LSI) semi-quantitative definitions and shorthand notation system of lipid structures with a 1-2% estimated false discovery rate, which will contribute to harmonizing lipidomics data across laboratories to accelerate lipids research.

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Tsugawa, H., Ikeda, K., Takahashi, M., Satoh, A., Mori, Y., Uchino, H., Okahashi, N., Yamada, Y., Tada, I., Bonini, P., Higashi, Y., Okazaki, Y., Zhou, Z., Zhu, Z.-J., Koelmel, J., Cajka, T., Fiehn, O., Saito, K., Arita, M.. 2020-02-12. MS-DIAL 4: accelerating lipidomics using an MS/MS, CCS, and retention time atlas. https://doi.org/10.1101/2020.02.11.944900

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