Data files from the UPLC-MS were converted to mzData format using the Masshunter Qualitative software provided with Agilent instruments (Agilent Sana Clara, CA). The data were analyzed by using the open-source software XCMS and CAMERA implemented with the freely available R statistical language (version 3.2.2). The procedures and parameters used for the alignment of features were followed according to previous studies, with some modifications [64 (link)]. Identification of metabolites was performed based on their molecular ion masses and MSn fragmentation compared with the literature and metabolomic library entries of purified standards. Subsequently, the putative identifications were verified by comparing with the retention time matches to those of authentic standard compounds. In addition, we also purchased some commercially available purified standard compounds to identify metabolites when necessary.
Agilent instruments
Manufactured by Agilent Technologies
Sourced in United States
Agilent instruments are a line of high-performance laboratory equipment designed to provide accurate and reliable measurements for scientific research and analysis. These instruments are engineered to offer precise and reproducible results across a range of applications, including spectroscopy, chromatography, and mass spectrometry.
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2 protocols using agilent instruments
1
Metabolomic Data Analysis Pipeline
2
HILIC-QTOF MS Metabolite Analysis
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Extracted metabolites were analyzed using an Agilent 1290 UPLC system connected to an Agilent 6538 Q-TOF mass spectrometer (Agilent, Santa Clara, CA, USA). The samples were run in normal phase, using a Cogent Diamond Hydride HILIC 150 × 2.1 mm column (MicroSolv, Eatontown, NJ, USA). Output files were converted to MZxml format using the Masshunter Qualitative software provided with Agilent instruments (Agilent, Santa Clara, CA, USA). Analysis of LC-MS data was done using the features and identification function in MZmine version 2.31 [36] . See Online Resource 1 for more details.
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