Table 1 Volatile compounds detected in the headspace of the ONS beverage, ordered by functional group and relative abundance.

From: Identification of aroma compounds in a commonly prescribed oral nutritional supplement and associated changes in olfactory abilities with human ageing

LRI	Literature LRI^A	Volatile compound name	m/z	CAS number	Relative abundance (ppb ± SD)^B	DT in water (ppb)	OAV	Sensory descriptions (Good Scents)^C
Esters
1147	1141^g	Isoamyl acetate	130^a	123-92-2	53,000 ± 9000	2	26,500	Sweet, fruity, banana, solvent
1319	1285^d	Isoamyl isovalerate	172^a	659-70-1	40,000 ± 8000	19.9	2,010	Sweet, fruity, Green, Ripe
1213	1181^e	Isoamyl propionate	144^a	105-68-0	5000 ± 700	8.6	581	Sweet, fruity, banana
1096	1053^e	Butyl acetate	116^a	123-86-4	80 ± 12	66	1	Ethereal, solvent, fruity, banana
1058	1055^g	Ethyl butyrate	116^a	105-54-4	50 ± 6	1	50	Fruity, juicy, pineapple,
1300	1263^e	Isoamyl butyrate	158^a	106-27-4	33 ± 6	210	0.2	Fruity, green, apricot, pear
1297	1293^g	Hexyl acetate	144^a	142-92-7	25 ± 3	2	13	Fruity, green, apple, banana
1033	1012^f	Isobutyl acetate	116^a	110-19-0	13 ± 1	66	0.2	Sweet, fruity, ethereal, banana
Aldehydes
1574	1573^a, 1520^b	Benzaldehyde	106^a	100-52-7	600 ± 80	350–3500	2	Almond, fruity, powdery, nutty
2173	2196^g	Vanillin	152^a	121-33-5	500 ± 430	20–200	25	Sweet, vanilla, creamy
646	707^a	Acetaldehyde	44^a	75-07-0	25 ± 4	15–20	2	Pungent, ethereal, fresh
1109	1083^b	Hexanal	100^a	66-25-1	8 ± 1	4.5–5	2	Fresh, green, fatty, aldehydic
1005	988^a	Pentanal	86^a	110-62-3	4.20 ± 0.4	1004	4 × 10^–3	Fermented, bready, fruity
902	884^a	Butanal	72^a	123-72-8	1.20 ± 0.2	9–37.3	0.1	Pungent, cocoa, musty, green
Sulfur compounds
1105	1096^a, 1077^b	Dimethyl disulfide	94^a	624-92-0	41 ± 6	12	3.4	Sulfurous, vegetable
637	689^a	Methanethiol	48^a	74-93-1	21 ± 4	0.02	1050	Vegetable, oily, alliaceous, eggy
1425	1426^a, 1430^g	Dimethyl trisulfide	126^a	3658–80-8	17 ± 2	0.005–0.01	3,400	Sulfurous, onion, meaty, savoury
680	758^a	Dimethyl sulfide	62^a	75-18-3	2.8 ± 0.6	0.3–1	9	Sulfurous, onion, sweet corn
Furans
1258	1241^a	2-Pentylfuran	138^a	3777-69-3	12 ± 2	6	2	Fruity, green, earthy, beany
817	799^b	Furan	68^a	110-00-9	3.6 ± 0.9	U	U	Ethereal
896	877^a, 869^b	2-Methylfuran	82^a	534-22-5	3.4 ± 0.4	U	U	Ethereal, acetone, chocolate
976	970^c	2-Ethylfuran	96^a	3208-16-0	2.0 ± 0.9	U	U	Sweet, burnt, earthy, malty
Ketones
835	819^b	Acetone	58^a	67-64-1	190 ± 40	500,000	4 × 10^–4	Solvent, ethereal, apple, pear
923	910^a, 907^b	2-Butanone	72^a	78-93-3	110 ± 10	50,000	2 × 10^–3	Ethereal, fruity, camphoreous
1004	980^a, 979^b 973^d	Diacetyl	86^a	431-03-8	118 ± 1.6	2.3–6.5	51	Sweet, buttery, creamy, milky
Alcohols
1409	1405^g	Cis-3-Hexanol	100^a	928-96-1	290 ± 50	70	4	Fresh, green, grassy, foliage
1697	1690^g	Furfuryl alcohol	98^a	98-00-0	230 ± 20	U	U	Alcoholic, chemical, musty
Phenylpropenes
2120	2157^d	Eugenol	167^a	97-53-0	69 ± 4	6–30	11.5	Sweet, spicy, clove woody
Monoterpenes
1227	1223^g	d-Limonene	136^a	5989-27-5	420 ± 60	10	42	Citrus, orange, fresh, sweet

LRI linear retention indices, CAS chemical abstracts service unique numerical identifier, m/z molecular ion peak ^amass spectra identified by comparison to NIST database, DT detection thresholds from literature (Leffingwell and Associates, 2020), U unknown, OAV odour activity value
^ALiterature LRI ^aVillière et al., (2015), ^bThammarat et al., (2018), ^cOlaoye et al., (2016), ^dRicci et al., (2018), ^eSchubert et al., (2013), Ubeda et al., (2012), ⁱInternal database generated using authentic standards
^BAbundance values are relative to an internal standard (15 µL 0.1% 3-hepanone)
^CSensory descriptions from literature (Good Scents Company, 1980–2020)

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Table 1 Volatile compounds detected in the headspace of the ONS beverage, ordered by functional group and relative abundance.

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