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. 2017 Apr 21;7:1052. doi: 10.1038/s41598-017-01136-1

Table 1.

Retention times and molecular masses of compounds tentatively identified in pedal swabs of brown bear (Ursus arctos; 1 – present in all samples, 0 – absent in all samples).

Retention time (min) Adult females’ samples (N = 12) Yearling male samples (N = 4) Adult males’ samples (N = 8) Tentatively identified compounds Molecular mass CAS no Chemical characteristics
8.99 1 1 1 Hexanoic acid 116 142-62-1 Carboxylic acid, skin-borne
14.74 0 0 1 Octanoid acid 144 124-07-2 Carboxylic acid, skin-borne
17.54 1 1 1 Nonanoic acid 158 112-05-0 Carboxylic acid, skin-borne
19.34 1 1 1 Unknown n/a
20.06 1 1 1 n-Decanoid acid 172 334-48-5 Saturated fatty acid, skin-borne
20.32 1 1 1 Unknown n/a
20.64 1 1 1 Unknown n/a
20.89 1 1 1 Vanillin 152 121-33-5
21.1 1 1 1 Unknown n/a
21.54 1 1 1 Unknown n/a
21.75 1 1 1 Unknown n/a
22.88 1 1 1 Unknown n/a
25.42 1 1 1 Unknown n/a
27.6 1 1 1 Unknown n/a
27.9 1 1 1 Cyclohexanone, 5-octyl-3,3,5-trimethyl 252 129126-26-7 Ketone of animal origin
28.42 1 1 1 Unknown n/a
29.38 1 1 1 Tetradecanoid acid 228 544-63-8 Saturated fatty acid, skin-borne
30.47 1 1 1 Phthalic acid, dodecyl 2-isopropooxyphenyl ester 468 n/a Aromatic carboxylic acid, organic
31.9 1 1 1 1-Hexadecanol 242 36653-82-4 Fatty alcohol, skin-borne wax
33.11 0 0 1 Thunbergene 272 1898-13-1 Cembrenoid, diterpene, might be both animal and plant origin
34.65 0 0 1 Nerolidol 222 7212-44-4 Sesquiterpene of plant origin
35.12 1 1 1 Thunbergol 290 25269-17-4 Diterpene of animal or plant origin
36.32 0 0 1 Unknown n/a
36.31 1 1 1 Unknown n/a
38.54 0 0 1 Unknown n/a
39.04 0 0 1 Dehydroabietate 284 13601-88-2 Resin acid