Accuratemass measurements (Hsu, Hen

Accurate
mass measurements (Hsu, Hendrickson, Rodgers, McKenna, &
Marshall, 2011; Savory et al., 2011) define the unique elemental
composition (CcHhNnOoSs) from singly charged ions such as
[M+H]+, [M+Na]+, [M+K]+, [MH], and [M+Cl], where M corresponds
to a neutral molecule (Benassi et al., 2013; Colati et al.,
2013; Cordeiro et al., 2013; Dalmaschio et al., 2014; Freitas et al.,
2013; Haddad et al., 2012). Herein, we introduced CW samples directly into the electrospray ionisation (ESI) source, without prior separation, and linked this to the FT-ICR MS to characterise in situ chemical compounds produced during natural CW ageing (from 0 to 15 days) at room temperature (23 C). The ESI-FT-ICR MS data were obtained and compared with conventional methodologies (pH, total titratable acidity (TA), total soluble solids (TSS), microbial
analyses, and ultraviolet–visible (UV–vis) spectroscopy).