Table A1.

Discriminative peaks from three PLS-Da models with peak in order of first dimension retention time on non-polar column (RT Dim 1) with addition of second dimension retention time on mid-polar column (RT Dim 2).

Peak	RT Dim 1	RT Dim 2	Mass	Discrimination	Up or Down
37	213.065	1.50373	43	F H vs N	D
61	252.986	1.54448	87	F H vs N	D
75	266.896	1.69866	84	F H vs N	D
82	278.881	1.52216	87	F H vs N	D
94	290.867	1.5497	87	F H vs N	D
122	311.842	1.70207	61	F H vs N	D
146	347.798	2.07133	69	F H vs N	U
161	368.059	1.68569	59	F H vs N	D
177	381.986	2.01085	59	F H vs N	D
199	410.852	1.84624	45	F H vs N	U
211	422.849	2.59792	43	F H vs N	D
221	431.698	2.17416	55	F H vs N	U
234	446.54	1.94374	56	F H vs N	U
235	445.611	2.1115	45	F H vs N	D
251	470.651	1.85195	43	F H vs N	D
299	536.554	1.81135	45	F H vs N	D
456	713.831	1.96898	61	F H vs N	D
505	773.287	2.35098	83	F H vs N	U
531	794.262	2.88303	96	F H vs N	D
560	824.226	1.74228	57	F H vs N	U
562	823.532	1.91573	103	H vs F N	U
638	878.161	2.06622	57	F H vs N	U
662	896.75	2.4186	81	F H vs N	U
747	967.754	2.2181	146	F H vs N	U
760	979.795	2.2298	91	H vs F N	U
783	1001.01	0.424779	85	F H vs N	U
794	1007.01	2.33448	70	F H vs N	U
799	1010	2.30056	99	F H vs N	U
841	1038.33	2.20129	59	F H vs N	U
916	1084.9	1.57542	93	H vs F N	D
920	1084.97	1.65668	81	F H vs N	U
957	1111.88	2.04592	57	F H vs N	U
965	1118.6	1.60533	267	F H vs N	D
979	1123.87	2.38479	81	F H vs N	U
1021	1146.78	2.91127	87	F H vs N	D
1037	1150.08	2.73321	99	F H vs N	U
1134	1225.92	0.285066	85	F H vs N	U
1166	1240.73	2.2519	113	F H vs N	U
1185	1252.26	1.75714	207	H vs F N	U
1206	1263.01	2.21667	101	F H vs N	D
1296	1336.58	2.01166	57	F H vs N	U
1313	1354.66	2.32802	81	F H vs N	U
1367	1411.52	1.83798	59	F H vs N	U
1387	1422.39	1.84604	59	F H vs N	U
1405	1433.16	0.157468	113	H vs F N	U
1437	1458.51	1.54951	163	F H vs N	U
1449	1462.46	1.9767	58	F H vs N	U
1450	1462.46	2.1945	127	F H vs N	U
1457	1465.46	2.42029	131	F H vs N	U
1497	1507.46	2.15058	59	H vs F N	U
1521	1525.41	1.82177	207	H vs F N	U
1553	1549.82	2.17105	59	F H vs N	D
1562	1555.15	1.69778	281	H vs F N	U
1587	1570.33	2.26863	81	F H vs N	U
1599	1581.97	1.54985	73	H vs F N	U
1616	1591.93	1.74071	59	F H vs N	U
1656	1628.35	0.0582741	84	F H vs N	U
1672	1639.32	1.84592	59	F H vs N	U
1673	1638.78	2.08221	133	H vs F N	U
1735	1687.01	1.5716	71	F vs H N	U
1765	1711.21	1.71539	69	F vs H N	U
1776	1717.15	1.82356	59	F H vs N	U
1780	1723.15	1.93293	114	F H vs N	U
1810	1741.73	2.28162	59	F H vs N	D
1842	1762.1	1.84815	109	H vs F N	U
1850	1767.88	2.30028	87	F H vs N	D
1866	1777.23	2.70362	87	F H vs N	D
1911	1804.52	1.54262	57	H vs F N	U
2011	1848.74	1.93918	95	F H vs N	U
2019	1848.07	1.73778	97	H vs F N	D
2050	1867.03	1.65334	92	H vs F N	U
2073	1875.98	2.19588	177	F H vs N	U
2088	1884.55	1.7368	70	F vs H N	U
2107	1893.49	1.5439	70	F vs H N	U
2127	1902.93	1.91097	72	F H vs N	U
2149	1913.33	1.96941	58	H vs F N	U
2209	1944.88	1.68335	191	F H vs N	D
2262	1974.91	1.79818	59	H vs F N	U
2277	1980.84	1.72275	57	F H vs N	U
2348	2013.6	2.31272	87	F H vs N	D
2360	2022.79	2.48686	100	F H vs N	D
2412	2046.83	1.84665	113	F H vs N	U
2490	2091.72	1.88072	114	F H vs N	U
2529	2112.93	1.62908	119	H vs F N	D
2578	2139.68	1.87183	150	F vs H N	U
2608	2156.88	1.76811	70	H vs F N	D
2625	2165.99	1.58243	91	F H vs N	U
2756	2220.55	1.86757	58	F H vs N	U
3100	2391.31	2.21692	219	F H vs N	U
3190	2457.32	1.60417	151	H vs F N	U
3231	2493.19	1.84005	69	F vs H N	U
3234	2496.29	1.60178	151	H vs F N	U
3437	2739.03	1.59881	151	H vs F N	U
3489	2830.62	1.62092	149	H vs F N	U

Note: “Mass” corresponds to the unique ion in the deconvoluted EI spectrum determined by the LECO ChromaToF software. “Discrimination” indicates significance from either of Happy (H) and Fear (F), or both, over Neutral (N) associated with donor peaks being up (U) or down (D) for Happy/Fearful.