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The mass spectrometer was operated in multiple reaction monitoring mode using positive ion electrospray (ESI).
Mass spectrometric acquisition was performed in scan mode using positive and mass range from m/z 150 to 2000.
The amino acids were detected using a Micromass Quattro Micro tandem mass detector in MRM mode using positive electrospray ionization, with the following transitions: ornithine, 133.1 → 70.2, arginine 175.2 → 70.2 and citrulline 176.2 → 70.2.
The mass spectrometer (Synapt HDMS, Waters, Manchester, U.K). was operated in sensitivity (V) mode, using positive ionization with a capillary voltage of 3 kV and a cone voltage of 20 V. The source and desolvation temperatures were set to 150 and 120 °C, respectively, and the source gas flow rate (N2) was set to 20 L h 1.
The mass spectrometer (Synapt HDMS, Waters, Manchester, UK) was operated in sensitivity (V) mode using positive ionization with a capillary voltage of 2.8 kV and a cone voltage of 15 V; a mass range of m/ z 50 500 was monitored.
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Most compounds were analyzed using electrospray ionization in the negative mode, except -1, which was analyzed using positive mode.
Analytes and IS were separated by a HILIC column with the mobile phase composed of 20 mM ammonium formate in water acetonitrile (30 70, v/v, adjusted to pH 3.0 with formic acid) and monitored in multiple reaction monitoring (MRM) mode using a positive electrospray source.
Selective determination of the target compounds was achieved by simultaneous UV (254 nm) and MS/MS detection with selected reaction monitoring experiments using positive mode electrospray ionisation.
Solvent extracts of the glycerol-MSM liquid culture obtained from ST34 were subjected to direct infusion using positive mode ESI MS in order to determine the accurate molecular mass (compound identity) for the solvent extracted biosurfactant compounds.
All analytes were analyzed using positive mode nanoelectrospray ionization.
Molecular weight for each unimer was confirmed using positive mode MALDI-ToF mass spectrometry (see Supporting Information).
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