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. 2018 Dec 19;13(12):e0208618. doi: 10.1371/journal.pone.0208618

Table 2. Tentatively identified compounds with a library match factor greater than or equal to 80 in giant panda enclosures.

Thirty-three compounds occurred in at least 10% of all samples within individual and season and across all subjects within season. Compounds are organized by functional group chemical classification. The code for each compound is listed to the left of the compound name, which are used in the text and figures.

Code Name and Classification CAS Number
Aromatic
Ketone
C1 (Z)-3-Benzyl-5-(thiophen-3-ylmethylene)oxazolidine-2,4-dionea 2000425-67-1
Benzene derivative
C7 4-(4-Methoxybenzylideneamino)-5-(4-isopropylthiazol-2-yl)-4H-1,2,4-triazole-3-thiola 2000627-24-9
C9 7-[(5-Mercapto-4-benzyl-1,2,4-triazol-3-yl)methoxy]-8-methyl-4-propyl-2H-1-benzopyran-2-onea 2000737-85-6
C11 Benzaldehydeb 100-52-7
C12 Benzene, (1-methylethyl)- 98-82-8
C13 Benzene, 1,2,4-trimethyl- 95-63-6
C14 Benzene, methyl-b 108-88-3
C20 Dicinnamylether 2000319-01-9
C33 3,3'-(1,1-Ethanediyl)bis(1H-indole)b 2000349-55-1
Aliphatic
Cyclic
Ketone
C6 2,5-Cyclohexadiene-1,4-dione, 2,6-bis(1,1-dimethylethyl)- a 719-22-2
C17 Cyclopentane, methyl-b 96-37-7
C18 Cyclopropane, 1-(1-methylethenyl)-2-(2-methyl-1-propenyl)-, (1R-trans)- 80082-35-5
Alkene
C2 1,4-Cyclohexadiene, 1,6,6-trimethyl-3-methylene-b 94925-96-9
C4 2-Pinenea 80-56-8
C15 Bicyclo[2.2.1]hept-2-ene, 1,7,7-trimethyl-a 464-17-5
C16 Bicyclo[4.1.0]hept-3-ene-2-thiol, 3,7,7-trimethyl-, [1S-(1.alpha.,2.alpha.,6.alpha.)]- b 88106-13-2
Acyclic
Ketone
C8 5-Hepten-2-one, 6-methyl- 110-93-0
Ester
C3 2-methyl-propanoic acid, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl estera,b 6846-50-0
C10 Acetic acid, 2-ethylhexyl estera,b 103-09-3
Aldehyde
C19 Decanala,b 112-31-2
C22 Heptanalb 111-71-7
C23 Hexanala,b 66-25-1
C25 Nonanala,b 124-19-6
C26 Octanala,b 124-13-0
Alkane
C5 2,2,6-trimethyloctanea 62016-28-8
C21 Dodecaneb 112-40-3
C27 Octane, 2,6-dimethyl- 2051-30-1
C28 Octane, 6-ethyl-2-methyl- 62016-19-7
C29 Pentane, 2-methyl- 107-83-5
C30 Pentane, 3-methyl-b 96-14-0
C31 Undecaneb 1120-21-4
C32 Undecane, 4-methyl-b 2980-69-0
Amine
C24 Hydrazine, 1,2-dimethyl-a,b 540-73-8

aDetected in enclosure while bear was absent

bAlso detected in urine samples