## 3 Results and Discussion
### Headspace vs. Nosespace
\begin{table}
\begin{tabular}{c c c c c c c c c c} \hline \hline
**Measured** & \multirow{2}{*}{\
\begin{tabular}{c} **Sum** \\ _m/z_ **(Th)** \\ \end{tabular} } & \multirow{2}{*}{
\begin{tabular}{c} **Tentative** \\ **Identification** \\ \end{tabular} } & \multirow{2}{*}{**Parameter \({}^{*}\)**} & \multirow{2}{*}{**Coffee A**} & \multirow{2}{*}{**Coffee B**} & \multirow{2}{*}{**Coffee E**} & \multirow{2}{*}{**\(p\)-Value**} \\
2 & & & & & & & & & \\
68.056 & C\({}_{4}\)H\({}_{5}\)N\({}^{*}\) & Pyrrole & Slope & 0.008 \(\pm\) & 0.003 \({}^{*}\) & 0.013 \(\pm\) & 0.002 \({}^{*}\) & 0.010 \(\pm\) & 0.002 \({}^{*}\) & 0.031 \\  & & Area & 119.32 \(\pm\) & 23.58 \({}^{*}\) & 198.17 \(\pm\) & 63.67 \({}^{*}\) & 153.5 \(\pm\) & 59.45 \({}^{*}\) & 0.149 \\
79.049 & C\({}_{6}\)H\({}_{5}\)+ & Benzene/benzaldehyde & Area & 64.04 \(\pm\) & 30.26\({}^{*}\) & 122.81 \(\pm\) & 55.95 \({}^{*}\) & 68.65 \(\pm\) & 21.50 \({}^{*}\) & 0.037 \\
80.050 & C\({}_{4}\)H\({}_{5}\)N\({}^{*}\) & Pyrridine & Area & 526.84 \(\pm\) & 175.12 \({}^{*}\) & 1529.2 \(\pm\) & 747.68 \({}^{*}\) & 68.09 \(\pm\) & 345.33 \({}^{*}\) & \(<\)10\({}^{-3}\) \\  & & Median & 2.32 \(\pm\) & 0.96 \(\pm\) & 6.39 \(\pm\) & 4.16 \(\pm\) & 3.02 \(\pm\) & 1.58 \({}^{*}\) & 0.049 \\
82.070 & C\({}_{3}\)H\({}_{5}\)N\({}^{*}\) & Methyl-pyrrole & Slope & 0 \(\pm\) & 0 \({}^{*}\) & 0.013 \(\pm\) & 0.003 \({}^{*}\) & 0.009 \(\pm\) & 0.03 \({}^{*}\) & \(<\)10\({}^{-3}\) \\  & & Area & 0 \(\pm\) & 0 \({}^{*}\) & 82.65 \(\pm\) & 36.43 \({}^{*}\) & 63.30 \(\pm\) & 26.30 \({}^{*}\) & \(<\)10\({}^{-3}\) \\  & & Median & 0 \(\pm\) & 0 \({}^{*}\) & 0.22 \(\pm\) & 0.10 \(\pm\) & 0.19 \(\pm\) & 0.07 \({}^{*}\) & \(<\)10\({}^{-3}\) \\  & & Final & 0 \(\pm\) & 0 \({}^{*}\) & 0.15 \(\pm\) & 0.10 \({}^{*}\) & 0.18 \(\pm\) & 0.09 \({}^{*}\) & \(<\)10\({}^{-3}\) \\  & & Maximum & 0 \(\pm\) & 0 \({}^{*}\) & 8.66 \(\pm\) & 5.83 \({}^{*}\) & 7.36 \(\pm\) & 5.94 \({}^{*}\) & 0.004 \\
98.074 & C\({}_{5}\)H\({}_{5}\)ON\({}^{*}\) & Dimethyl-oxazole & Median & 0 \(\pm\) & 0 \({}^{*}\) & 0.06 \(\pm\) & 0.01 \({}^{*}\) & 0 \({}^{*}\) & \(<\)10\({}^{-3}\) \\  & & Area & 0 \(\pm\) & 0 \({}^{*}\) & 14.44 \(\pm\) & 4.68 \({}^{*}\) & 0 \({}^{*}\) & \(<\)10\({}^{-3}\) \\  & & Slope & 0 \(\pm\) & 0 \({}^{*}\) & 0.006 \(\pm\) & 0.003 \({}^{*}\) & 0 \(\pm\) & 0\({}^{*}\) & \(<\)10\({}^{-3}\) \\  & & Final & 0 \(\pm\) & 0 \({}^{*}\) & 0.05 \(\pm\) & 0.02 \({}^{*}\) & 0 \({}^{*}\) & \(<\)10\({}^{-3}\) \\  & & Maximum & 0 \(\pm\) & 0 \({}^{*}\) & 0.68 \(\pm\) & 0.39 \({}^{*}\) & 0 \(\pm\) & 0 \({}^{*}\) & \(<\)10\({}^{-3}\) \\
99.082 & C\({}_{4}\)H\({}_{11}\)O\({}^{*}\) &
\begin{tabular}{c} \(\text{Heeval/methyl-}\) \\ penteneone \\ \end{tabular} & Area & 0 \(\pm\) & 0 \({}^{*}\) & 54.32 \(\pm\) & 20.15 \({}^{*}\) & 50.14 \(\pm\) & 15.70 \({}^{*}\) & \(<\)10\({}^{-3}\) \\  & & Final & 0 \(\pm\) & 0 \({}^{*}\) & 0.23 \(\pm\) & 0.06 \({}^{*}\) & 0.24 \(\pm\) & 0.10 \({}^{*}\) & \(<\)10\({}^{-3}\) \\  & & Median & 0 \(\pm\) & 0 \({}^{*}\) & 0.30 \(\pm\) & 0.11 \({}^{*}\) & 0.29 \(\pm\) & 0.10 \({}^{*}\) & \(<\)10\({}^{-3}\) \\  & & Slope & 0 \(\pm\) & 0 \({}^{*}\) & 0.006 \(\pm\) & 0.002 \({}^{*}\) & 0.005 \(\pm\) & 0.002 \({}^{*}\) & \(<\)10\({}^{-3}\) \\  & & Maximum & 0 \(\pm\) & 0 \({}^{*}\) & 1.96 \(\pm\) & 1.36 \({}^{*}\) & 1.70 \(\pm\) & 1.22 \({}^{*}\) & 0.002 \\
125.065 & C\({}_{7}\)H\({}_{5}\)O\({}_{2}\)+ & benzenediol/furyl & Area & 37.73 \(\pm\) & 8.39 \({}^{*}\) & 59.62 \(\pm\) & 21.73 \({}^{*}\) & 43.73 \(\pm\) & 12.48 \({}^{*}\) & 0.198 \\ \hline \hline \end{tabular}
\end{table} 
Table 3: Selected nosespace mass peaks and corresponding parameters (VIP \(>\) 1.5). Means and standard deviations are reported for each sample. \(p\)-values were obtained on the basis of one-way ANOVA and corrected, taking into account the false discovery rate. Superscript annotations are used to display differences between coffees; therefore, when two values are annotated by different letters, this denotes the pairwise statistically significant difference (Tukey’s HSD).