LC-MS and LC-MS/MS dataset for the paper ???Cao A, Gesteiro N, Santiago R, Malvar RA and Butr??n A (2023) Maize kernel metabolome involved in resistance to fusarium ear rot and fumonisin contamination. Front. Plant Sci. 14:1160092"
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[Description of methods used for collection/generation of data] The untargeted metabolomic analysis was conducted by ultra-high-performance liquid chromatography (UHPLC) (Ultimate3000 LC; Thermo Scientific) coupled to a quadrupole-time-of-flight mass spectrometer (QTOF-MS) equipped with an electrospray ionization source (ESI) (Bruker Compact; Bruker Daltonics). Samples (5 ??l injection volume) were separated in an Intensity Solo 2 C18 column (1.7 ??m, 2.1?? 100 mm; Bruker Daltonics) at 35??C. A binary solvent system consisted of 0.1% of formic acid on water (solvent A) and acetonitrile (solvent B) with a 0.4 ml/min flow rate was used with the following gradient conditions: 0 min, 3% B; 4 min, 3% B; 16 min, 25% B; 25min, 80% B; 30 min, 100% B; 32 min, 100% B; return to initial conditions at 33 min (3% B) and maintain until 36 min. The MS acquisition was performed in both negative and positive ionization modes for full scan and auto MS/MS, in a mass scan range of m/z 100-1200. Specific conditions used were: gas flow 9 L/min, nebulizer pressure 38 psi, dry gas 9 L/min, and dry temperature 220??C; capillary and end plate offset were set to 4500 and 500 V, respectively. MS/MS analysis was performed by using different collision energy ramps to cover a range from 15 to 50 eV. The instrument was calibrated externally with a solution of 1mM sodium formate/acetate in 2-propanol:water 50:50 with 0.2% formic acid directly infused to the source. A calibration solution of formate and acetate clusters was injected at the beginning of each run.
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DIGITAL.CSIC
创建时间:
2023-07-04



