Supporting information may be found in the online version of this article.

jrs_4073_sm_table_s1.docWord document68KTable S1. Identification results using correlation coefficient scoring. Variations in correlation coefficient between multiple runs of the same mixture are less than 1% for all mixtures except the ethanol, acetonitrile, and water compound, which were measured 18 separate times and displayed a variation in the correlation coefficient of +/−2.8%
jrs_4073_sm_table_s2.docWord document31KTable S2. Determination of detection limits using correlation coefficient scoring. Using the Pearson correlation algorithm, we determine the detection limit of the algorithm. The weighting, as explained in the analysis section does not indicate a volumetric abundance, but merely a relative strength when compared with the primary mixture component, which has been tagged at unity

Please note: Wiley Blackwell is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.