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The sample (5 μL) was used for molecular mass determination using JOEL MALDI-TOF.
The sample (5 μL) was used for molecular mass determination using an MALDI-TOF mass spectrometer (JMS-S3000, Japan).
The sample (5 μL) was used for molecular mass determination using an ESI Q-TOF mass spectrometer (Micromass, Manchester, England).
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Information regarding STEM data analysis and mass determinations using the program PCMass are described at http://www.bnl.gov/biology/stem/Data_Analysis.asp and in [24] and [25].
We obtained a repeatability of 0.31% (uc = 1.1%) for replicated burst mass determinations using 5000 droplets.
The method is based on headspace solid-phase microextraction (SPME) followed by gas chromatography coupled to tandem mass spectrometry (GC MS/MS) determination using triple quadrupole analyzer (QqQ) in electron ionization mode.
Applications of the enumeration of chemical structures include structure determination using mass-spectrum and/or NMR-spectrum [4, 5], virtual exploration of the chemical universe [6, 7], reconstruction of molecular structures from their signatures [8, 9], and classification of chemical compounds [10].
MS/MS is a worthy tool for further structural characterization because of the occurrence of characteristic fragment ions, either MS n analysis for studying the fragmentation patterns using trap-based analyzers or high mass accuracy measurements for elemental composition determination using time of flight based or Fourier transform mass analyzers.
DI was characterised by molecular weight determination using MALDI-TOF mass spectroscopy.
The samples were analyzed by solid phase extraction and final determination using gas chromatography isotope dilution high-resolution mass spectrometry (GC/ID-HRMS) at the Centers for Disease Control and Prevention[13].
Molecular mass determination was performed using an adapted RI increment value (dn/ dc standard value; 0.186 ml/g) to account for the glycosylation state.
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