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Standard MS/MS and RT libraries

ZZ Zhiwei Zhou
ML Mingdu Luo
HZ Haosong Zhang
YY Yandong Yin
YC Yuping Cai
ZZ Zheng-Jiang Zhu
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In-house MS/MS and RT libraries from chemical standards were used for seed metabolite annotation in KGMN. It supports different types of high-resolution mass spectrometers from various vendors (including Sciex, Agilent, Waters, Bruker and Thermo Fisher). The curation of MS/MS spectral library curation followed the previous publication68,69. Briefly, a total of 868 metabolites and 611 metabolites were acquired with 14 collision energies from Sciex TripleTOF 5600/6600 and Thermo Fisher Exploris 480, respectively. Their retention time were also acquired under the Waters BEH Amide column (HILIC) and Phenomenex C18 column (reverse phase). The LC details are provided in LC–MS/MS part.

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