Code No. | Compounds | Identification | Threshold* (μg/kg) | Concentration (μg/kg) | |||||||
---|---|---|---|---|---|---|---|---|---|---|---|
FL | HL | AB | LD | ||||||||
M | F | M | F | M | F | M | F | ||||
Aldehydes (23) | |||||||||||
Q1 | Pentanal | MS,RI | 9 | 7.34±0.12 | 9.81±0.23 | 3.77±0.08 | 5.24±0.09 | 7.16±0.10 | 7.17±0.11 | 5.21±0.07 | 1.61±0.03 |
Q2 | 2-Pentenal | MS,RI | 1500 | N.D. | N.D. | N.D. | N.D. | N.D. | 0.27±0.01 | N.D. | N.D. |
Q3 | Hexanal | MS,RI,STD | 10.5 | 22.14±0.15 | 26.46±0.16 | 27.79±0.17 | 24.56±0.15 | 29.56±0.17 | 31.51±0.19 | 11.51±0.09 | 5.46±0.07 |
Q4 | 2-Hexenal | MS,RI | 19.2 | N.D. | 0.35±0.01 | N.D. | N.D. | N.D. | 0.28±0.01 | 0.57±0.01 | N.D. |
Q5 | Heptanal | MS,RI,STD | 3 | 1.43±0.02 | 0.90±0.01 | 1.84±0.02 | 0.74±0.05 | 1.54±0.01 | 1.7±0.01 | 2.40±0.01 | 0.21±0.01 |
Q6 | 2-Heptenal | MS,RI | 13 | 7.39±0.13 | 4.49±0.03 | 7.31±0.03 | 1.45±0.01 | 6.21±0.07 | 5.39±0.02 | 6.28±0.01 | 0.35±0.01 |
Q7 | 2,4-Heptadienal | MS,RI | 15.4 | 0.68±0.01 | N.D. | 0.86±0.02 | N.D. | 0.59±0.01 | 0.48±0.01 | N.D. | N.D. |
Q8 | Octanal | MS,RI,STD | 0.7 | 0.97±0.02 | 1.06±0.01 | 1.50±0.01 | 1.27±0.02 | 1.50±0.03 | 1.90±0.05 | 1.17±0.01 | 0.71±0.01 |
Q9 | 2-Octenal | MS,RI | 3 | 1.29±0.03 | 0.77±0.01 | 1.53±0.01 | 0.47±0.01 | 1.25±0.01 | 1.10±0.01 | 2.65±0.01 | 0.14±0.01 |
Q10 | Nonanal | MS,RI,STD | 1 | 1.40±0.02 | 1.20±0.02 | 2.16±0.02 | 3.61±0.02 | 3.04±0.02 | 2.64±0.01 | 2.79±0.01 | 2.94±0.01 |
Q11 | 2-Nonenal | MS,RI | 0.08 | 0.45±0.01 | 0.18±0.01 | 0.50±0.04 | 0.27±0.01 | 0.68±0.01 | 0.08±0.01 | 1.27±0.01 | 0.13±0.01 |
Q12 | 2,4-Nonadienal | MS,RI | 0.06 | 0.27±0.01 | 0.14±0.01 | 0.14±0.01 | 0.12±0.01 | N.D. | 0.25±0.00 | N.D. | N.D. |
Q13 | 2-Decenal | MS,RI | 0.4 | 0.57±0.02 | 0.30±0.01 | 0.73±0.01 | 0.31±0.01 | 0.75±0.01 | 0.50±0.01 | 2.76±0.02 | 1.23±0.01 |
Q14 | 2,4-Decadienal | MS,RI,STD | 0.07 | 0.82±0.02 | 1.36±0.02 | 2.23±0.01 | 1.79±0.01 | 0.59±0.03 | 0.75±0.01 | 0.23±0.01 | 0.37±0.01 |
Q15 | Decanal | MS,RI | 0.1 | N.D. | N.D. | N.D. | N.D. | N.D. | 0.75±0.01 | 7.77±0.05 | 1.11±0.0 |
Q16 | Undecanal | MS,RI | 5 | 0.09±0.01 | 0.10±0.01 | 0.21±0.01 | 0.27±0.01 | 0.18±0.01 | 0.14±0.01 | 0.91±0.06 | 0.89±0.02 |
Q17 | 2-Undecenal | MS,RI | 3.16 | 0.59±0.01 | 0.21±0.01 | N.D. | 0.29±0.01 | 0.93±0.05 | 0.44±0.02 | 2.67±0.01 | N.D. |
Q18 | Dodecanal | MS,RI | N.A. | 0.20±0.01 | 0.21±0.01 | N.D. | N.D. | 0.52±0.01 | 0.12±0.01 | 0.84±0.06 | 0.45±0.01 |
Q19 | Tridecanal | MS,RI | 1.00 | N.D. | 0.03±0.01 | N.D. | N.D. | N.D. | 0.04±0.01 | 0.43±0.02 | N.D. |
Q20 | Tetradecanal | MS,RI | 0.23 | 0.18±0.01 | 0.02±0.01 | 0.40±0.01 | 0.45±0.02 | 0.43±0.01 | 0.09±0.01 | 1.11±0.06 | N.D. |
Q21 | Hexadecanal | MS,RI | 0.91 | N.D. | 0.09±0.01 | 0.06±0.01 | N.D. | 1.24±0.11 | N.D. | N.D. | 0.54±0.01 |
Q22 | Octadecanal | MS,RI | N.A. | N.D. | N.D. | 1.57±0.01 | N.D. | 0.38±0.01 | 0.26±0.01 | 13.22±0.03 | 0.07±0.01 |
Q23 | Benzaldehyde | MS,RI | 990 | N.D. | N.D. | N.D. | 0.34±0.03 | N.D. | 0.53±0.05 | N.D. | 0.22±0.01 |
Alcohols (4) | |||||||||||
C1 | n-Tridecan-1-ol | MS,RI | N.A. | 0.29±0.01 | N.D. | 0.57±0.03 | N.D. | 1.47±0.01 | N.D. | N.D. | N.D. |
C2 | Hexadecen-1-ol | MS,RI | N.A. | 0.14±0.01 | N.D. | 0.25±0.02 | N.D. | N.D. | N.D. | N.D. | N.D. |
C3 | 1-Octanol | MS,RI | 27 | N.D. | 0.53±0.03 | N.D. | N.D. | N.D. | 0.40±0.03 | N.D. | N.D. |
C4 | 3,5-Octadien-2-ol | MS,RI | N.A. | N.D. | 0.13±0.01 | N.D. | N.D. | N.D. | 0.12±0.01 | N.D. | N.D. |
Ketones (5) | |||||||||||
T1 | 2-Heptanone | MS,RI | 300 | N.D. | N.D. | N.D. | N.D. | N.D. | 0.14±0.01 | N.D. | N.D. |
T2 | 1-Octen-3-one | MS,RI | 10 | 0.57±0.01 | 0.38±0.01 | N.D. | N.D. | N.D. | N.D. | N.D. | N.D. |
T3 | 2-Nonanone | MS,RI | 100 | N.D. | N.D. | N.D. | N.D. | N.D. | 0.04±0.01 | N.D. | N.D. |
T4 | 3-Methl-2-butanone | MS,RI | N.A. | N.D. | N.D. | N.D. | N.D. | N.D. | N.D. | N.D. | 3.34±0.01 |
T5 | 2,3-Octanedione | MS,RI | 12 | N.D. | N.D. | N.D. | N.D. | 0.48±0.01 | N.D. | N.D. | N.D. |
Esters (11) | |||||||||||
Z1 | Decanoic acid methyl ester | MS | N.A. | 0.38±0.01 | 0.64±0.01 | 0.30±0.02 | 0.09±0.00 | 0.11±0.03 | 0.07±0.01 | N.D. | N.D. |
Z2 | Tridecanoic acid methyl ester | MS | N.A. | 0.18±0.01 | N.D. | 0.06±0.01 | N.D. | 0.06±0.01 | N.D. | 0.13±0.02 | N.D. |
Z3 | Hexadecanoicacid methyl ester | MS | N.A. | 0.88±0.02 | 0.17±0.02 | 0.52±0.02 | 0.17±0.01 | 9.93±0.23 | 0.39±0.02 | 5.64±0.11 | 0.30±0.03 |
Z4 | Octadecanoic acid methyl ester | MS | N.A. | 1.56±0.01 | 0.07±0.01 | 0.19±0.01 | 0.06±0.01 | 0.75±0.01 | 0.21±0.01 | 1.02±0.01 | 0.13±0.01 |
Z5 | 9-Octadecenoic acid methyl ester | MS | N.A. | 5.17±0.03 | 0.13±0.01 | 0.41±0.01 | 0.14±0.01 | 1.97±0.02 | 1.23±0.11 | N.D. | N.D. |
Z6 | 9,12-Octadecadienoic acid methyl ester | MS | N.A. | 1.54±0.01 | 0.07±0.01 | 0.14±0.01 | 0.09±0.01 | 0.75±0.01 | 0.15±0.01 | 0.48±0.04 | 0.14±0.03 |
Z7 | Dodecanoic acid methyl ester | MS | N.A. | 0.29±0.01 | 0.06±0.01 | N.D. | N.D. | 0.36±0.01 | 0.27±0.01 | N.D. | N.D. |
Z8 | Pentadecanoic acid methyl ester | MS | N.A. | 4.08±0.02 | N.D. | N.D. | N.D. | 1.04±0.01 | N.D. | N.D. | N.D. |
Z9 | Hexanoic acid hexyl ester | MS | N.A. | N.D. | 0.09±0.01 | N.D. | N.D. | N.D. | 0.19±0.01 | N.D. | N.D. |
Z10 | Hexanoic acid pentyl ester | MS | N.A. | N.D. | 0.07±0.01 | N.D. | 0.08±0.01 | N.D. | 0.07±0.01 | N.D. | N.D. |
Z11 | Hexanoic acid octyl ester | MS | N.A. | N.D. | 0.03±0.01 | N.D. | 0.09±0.01 | N.D. | N.D. | N.D. | 0.16±0.01 |
Aromatics (5) | |||||||||||
F1 | Naphthalene | MS,RI | 60 | 0.18±0.01 | N.D. | 0.20±0.07 | N.D. | 0.27±0.01 | N.D. | 0.23±0.01 | N.D. |
F2 | Benzene pentyl | MS,RI | N.A. | N.D. | N.D. | N.D. | N.D. | 0.11±0.01 | 0.05±0.01 | N.D. | N.D. |
F3 | Styrene | MS,RI | 65 | 1.19±0.01 | 0.59±0.01 | 1.52±0.02 | 0.57±0.03 | 1.47±0.07 | 0.64±0.02 | N.D. | N.D. |
F4 | Toluene | MS,RI | 1550 | N.D. | N.D. | N.D. | N.D. | 0.45±0.01 | 0.34±0.01 | N.D. | N.D. |
F5 | Ethylbenzene | MS,RI | 2205 | N.D. | N.D. | N.D. | N.D. | 0.46±0.03 | 0.26±0.01 | N.D. | N.D. |
Acids (8) | |||||||||||
A1 | Decanoic acid | MS,RI | 2800 | 0.75±0.01 | 0.76±0.02 | 0.81±0.02 | 0.82±0.01 | 0.98±0.01 | 0.95±0.01 | 0.78±0.01 | 0.77±0.01 |
A2 | Butanoic acid | MS,RI | 240 | 1.23±0.02 | 1.21±0.01 | 1.45±0.02 | 1.41±0.01 | 0.98±0.01 | 0.95±0.01 | 1.79±0.01 | 1.68±0.02 |
A3 | Tetradecanoic acid | MS,RI | N.A. | N.D. | 0.26±0.01 | N.D. | 0.17±0.01 | N.D. | 0.26±0.01 | N.D. | 0.63±0.01 |
A4 | Hexadecanoic acid | MS,RI | N.A. | N.D. | 1.84±0.02 | N.D. | 3.31±0.02 | N.D. | 2.66±0.02 | N.D. | 5.47±0.03 |
A5 | Octadecanoic acid | MS,RI | N.A. | N.D. | 1.31±0.01 | N.D. | 2.43±0.01 | N.D. | 1.91±0.01 | N.D. | 0.04±0.01 |
A6 | Oleic Acid | MS | N.A. | N.D. | 2.42±0.01 | N.D. | 4.81±0.01 | N.D. | 3.87±0.01 | N.D. | 7.52±0.02 |
A7 | Dodecanoic acid | MS,RI | 9153 | 0.41±0.02 | 0.42±0.02 | 0.35±0.01 | 0.33±0.01 | 0.78±0.01 | 0.74±0.01 | 0.28±0.01 | 0.27±0.01 |
A8 | Heptadecanoic acid | MS | N.A. | N.D. | 0.02±0.01 | N.D. | 0.12±0.01 | N.D. | 0.05±0.01 | N.D. | 0.11±0.01 |
Hydrocarbon (7) | |||||||||||
H1 | Dodecane | MS,RI | 2040 | 0.15±0.01 | 0.12±0.01 | 0.09±0.01 | 0.07±0.01 | N.D. | N.D. | N.D. | N.D. |
H2 | Tridecane | MS,RI | 2140 | N.D. | N.D. | 1.13±0.03 | 0.91±0.02 | N.D. | N.D. | 0.14±0.01 | 0.12±0.01 |
H3 | Tetradecane | MS,RI | N.A. | N.D. | N.D. | 0.24±0.01 | 1.26±0.02 | 0.38±0.01 | N.D. | 0.23±0.01 | 0.73±0.01 |
H4 | Pentadecane | MS,RI | N.A. | 0.35±0.03 | 0.29±0.01 | 0.51±0.01 | 0.99±0.01 | 1.20±0.01 | 0.14±0.01 | 0.52±0.01 | 0.72±0.02 |
H5 | Hexadecane | MS,RI | N.A. | 4.81±0.01 | 0.46±0.01 | 3.41±0.01 | 0.16±0.01 | 6.18±0.01 | 0.19±0.01 | 2.03±0.01 | 0.44±0.01 |
H6 | Octadecane | MS,RI | N.A. | N.D. | N.D. | 0.62±0.01 | 0.45±0.02 | N.D. | N.D. | N.D. | N.D. |
H7 | Nonadecane | MS,RI | N.A. | N.D. | 0.02±0.01 | N.D. | 0.09±0.01 | N.D. | 0.07±0.01 | N.D. | 1.03±0.01 |