| MS Description
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Plant lipids were extracted following the … Plant lipids were extracted following the method of Bligh and Dyer with slight modifications, and directly subjecting the extract to LC-MS analysis. The lipidomic data were recorded on an LC-MS-IT-TOF mass spectrometer using electrospray ionization, combined with an LC-20AD HPLC system (Shimadzu). Parameters for MS were as follows: scan range, m/z 150–1,600; loop time, 0.6 s; CDL and heat block temperature, 160 °C; nebulizer gas (N2), 1.5 l min–1.
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Metadata (from 'Supplementary Data Set.xls')<br />
Chromatography instrument description: Shimadzu, LC-20AD HPLC system, operated by LCMSsolution v.3.6.<br />
Auto-injector: Shimadzu, SIL-20AC, LCMSsolution v.3.6., 1microL injection, 1 wash per injection (0.2 mL MeCN)<br />
Separation column and pre/guard column: Shimadzu, Atlantis HILIC Silica (pore size: 3 microm) 2.1 by 100 mm<br />
Separation parameter: A two-solvent system was used to generate the mobile phase: solvent A, methanol-water (95:5, v/v) containing 0.2% ammonium formate (pH 5.9); solvent B, acetonitrile-methanol-water (95:2:3, v/v/v) containing 0.2% ammonium formate (pH 5.9). The pH of both solvents A and B was adjusted by adding 30% NH4OH to the mixtures of solvents containing 0.2% (v/v) formic acid.; elution program: 100% solvent B (0-3.33 min), 100~65% solvent B (3.33~10 min), 65~30% (10~11.33 min), 30% solvent B (11.33~14.66 min), 100% solvent B (14.66~40 min). The flow rate was held at 0.2 mL/min, and it was then increased to 0.4 mL/min at 14.66 min after the beginning of the gradient, maintained for 13.33 min, and then decreased to 0.2 mL/min. Total elution time was 40 min.<br />
Instrument description: Shimadzu, LCMS-IT-TOF, operated by LCMSsolution v.3.6.<br />
Sample introduction and delivery: From LC
Ionization source: ESI negative. interface voltage, 4.5 V; curved desolvation line temperature, 200C; heat block temperature, 200C; ion accumulation time, 10 msec; nebulizer gas, N2 (15 L/min).<br />
Mass analyzer description and acquisition mode: ion trap-time-of-flight operated at scan mode<br />
Data acquisition parameters: detection mode: scan (m/z 150-1600; event time: 0.2 s; profile).<br />
Data file format: Original data file (.lcd)<br /> mat: Original data file (.lcd)<br />
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