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Metabolite Identification and Data Processing

LH Libo He
DZ Denghui Zhu
XL Xinyu Liang
YL Yongming Li
LL Lanjie Liao
CY Cheng Yang
RH Rong Huang
ZZ Zuoyan Zhu
YW Yaping Wang
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Metabolite identification was based on the primary and secondary spectral data annotated against the self-compiled database MWDB (WuhanMetware Biotechnology Co., Ltd.) and publicly available metabolite databases, including MassBank (http://www.massbank.jp/), KNApSAcK (http://kanaya.naist.jp/KNApSAcK/), HMDB (http://www.hmdb.ca/), MoToDB (http://www.ab.wur.nl/moto/), and METLIN (http://metlin.scripps.edu/index.php). Metabolite quantification was performed using the multiple reaction monitoring (MRM) mode (23). Orthogonal partial least squares discrimination analysis (OPLS-DA) was used to study the identified metabolites. Those with significant differences in content were set with thresholds of variable importance in projection (VIP) ≥ 1 and | Log2fold change | ≥ 1.

Copyright and License information:  ©2021 He, Zhu, Liang, Li, Liao, Yang, Huang, Zhu and Wang
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