Table 2.
SPME-GC-MS/MS performance. Linearity, precision, recoveries, LODs and LOQs.
| Compounds | Linearity |
Precision, RSD (%) |
Recovery ± Precision (RSD) (%) |
LODs (μg g −1) | LOQs (μg g −1) | |||
|---|---|---|---|---|---|---|---|---|
| R2 | Linear range (μg L−1)a | Intra-day (n = 3) | Inter-day (n = 5) | 0.2 μg g−1 | 2 μg g−1 | |||
| Fragrance allergens | ||||||||
| Pinene | 0.9906 | 0.01–5 | 3.8 | 2.7 | 86.4 ± 1.4 | 96.1 ± 7.3 | 0.0028 | 0.0092 |
| Limonene | 0.9910 | 0.01–5 | 4.5 | 3.2 | 72.6 ± 3.8 | 78.6 ± 4.8 | 0.0028 | 0.0092 |
| Benzyl Alcohol | 0.9936 | 0.01–5 | 3.2 | 5.3 | 78.2 ± 3.0 | 77.8 ± 3.7 | 0.0030 | 0.0099 |
| Linalool | 0.9922 | 0.01–5 | 0.2 | 1.0 | 84.2 ± 1.0 | 83.6 ± 2.0 | 0.0013 | 0.0043 |
| Methyl-2-octynoate | 0.9909 | 0.1–5 | 1.4 | 10 | 108.2 ± 4.1 | 96.81 ± 0.47 | 0.027 | 0.089 |
| Citronellol | 0.9931 | 0.02–5 | 5.3 | 15 | 110 ± 15 | 89.6 ± 3.6 | 0.0030 | 0.0099 |
| Citral | 0.9908 | 0.02–5 | 3.2 | 5.2 | 112.1 ± 1.0 | 110.4 ± 5.6 | 0.0040 | 0.013 |
| Geraniol | 0.9901 | 0.02–5 | 7.0 | 6.3 | 98.6 ± 6.9 | 108.2 ± 4.6 | 0.0043 | 0.014 |
| Cinnamaldehyde | 0.9951 | 0.1–5 | 14 | 18 | 103 ± 12 | 113 ± 13 | 0.029 | 0.096 |
| Anis alcohol | 0.9918 | 0.1–5 | 3.1 | 12 | 107.2 ± 3.0 | 117.6 ± 3.3 | 0.033 | 0.11 |
| Cinnamyl alcohol | 0.9919 | 0.1–5 | 3.1 | 3.9 | 115.0 ± 1.1 | 100.8 ± 6.9 | 0.030 | 0.099 |
| Eugenol | 0.9951 | 0.02–5 | 2.6 | 2.0 | 116.0 ± 1.1 | 115.7 ± 6.2 | 0.0060 | 0.020 |
| Methyleugenol | 0.9945 | 0.01–5 | 5.3 | 3.9 | 101.97 ± 0.65 | 110.5 ± 5.3 | 0.0012 | 0.0040 |
| Isoeugenol | 0.9924 | 0.01–5 | 3.5 | 6.2 | 97.6 ± 5.9 | 108.6 ± 3.7 | 0.0024 | 0.0079 |
| α-isomethylionone | 0.9934 | 0.01–5 | 9.5 | 6.7 | 97.57 ± 0.22 | 108.2 ± 5.6 | 0.0026 | 0.0086 |
| Lilial® | 0.9911 | 0.01–5 | 7.6 | 10 | 104.85 ± 0.52 | 111.0 ± 4.2 | 0.0027 | 0.0089 |
| Amylcinnamal | 0.9945 | 0.01–5 | 10 | 12 | 113.9 ± 1.8 | 118.4 ± 3.1 | 0.0026 | 0.0085 |
| Amylcinnamyl alcohol | 0.9951 | 0.01–5 | 18 | 13 | 102.5 ± 1.0 | 112.3 ± 1.6 | 0.0014 | 0.0046 |
| Farnesol | 0.9962 | 0.01–5 | 8.4 | 13 | 110.2 ± 6.4 | 113.7 ± 5.2 | 0.0028 | 0.0092 |
| Hexylcinnamal | 0.9950 | 0.01–5 | 15 | 19 | 110.7 ± 3.0 | 111.1 ± 2.3 | 0.0012 | 0.0040 |
| Benzyl benzoate | 0.9929 | 0.01–5 | 9.9 | 18 | 71.0 ± 6.0 | 92.9 ± 4.3 | 0.0028 | 0.0092 |
| Benzyl salicylate | 0.9924 | 0.01–5 | 6.0 | 7.6 | 107.2 ± 2.4 | 86.2 ± 5.7 | 0.0028 | 0.0092 |
| Benzyl cinnamate | 0.9901 | 0.01–5 | 12 | 13 | 86.2 ± 5.5 | 91.2 ± 3.0 | 0.0026 | 0.0086 |
| Synthetic musks | ||||||||
| Musk Xylene | 0.9912 | 0.01–5 | 7.2 | 10 | 107.2 ± 9.0 | 113.1 ± 4.2 | 0.0014 | 0.0046 |
| Musk Ambrette | 0.9902 | 0.01–5 | 1.4 | 8.2 | 113.1 ± 2.0 | 109.6 ± 4.5 | 0.0011 | 0.0036 |
| Musk Moskene | 0.9922 | 0.01–5 | 4.9 | 5.5 | 119.2 ± 3.1 | 115.9 ± 2.6 | 0.0033 | 0.011 |
| Musk Tibetene | 0.9944 | 0.01–5 | 6.9 | 9.6 | 107.5 ± 1.2 | 104.1 ± 1.0 | 0.0014 | 0.0046 |
| Galaxolide | 0.9927 | 0.01–5 | 7.4 | 10 | 95.54 ± 0.86 | 96.4 ± 6.9 | 0.0020 | 0.0066 |
| Celestolide | 0.9983 | 0.01–5 | 11 | 15 | 96.2 ± 1.2 | 100.3 ± 2.4 | 0.0010 | 0.0033 |
| Phantolide | 0.9975 | 0.01–5 | 12 | 16 | 91.38 ± 0.43 | 100.3 ± 2.3 | 0.0032 | 0.010 |
| Cashmeran | 0.9967 | 0.01–5 | 6.3 | 8.6 | 97.9 ± 1.0 | 105.8 ± 2.9 | 0.0027 | 0.0089 |
| Traseolide | 0.9968 | 0.01–5 | 12 | 17 | 91.1 ± 1.1 | 99.5 ± 2.1 | 0.0010 | 0.0033 |
| Tonalide | 0.9964 | 0.01–5 | 19 | 14 | 91.03 ± 0.58 | 99.8 ± 2.2 | 0.0011 | 0.0036 |
| Ambrettolide | 0.9963 | 0.01–5 | 13 | 19 | 92.8 ± 2.8 | 99.6 ± 2.6 | 0.0010 | 0.0033 |
| Preservatives | ||||||||
| PhEtOH | 0.9912 | 0.1–5 | 9.8 | 15 | 101.2 ± 2.2 | 102.9 ± 2.0 | 0.024 | 0.079 |
| BHA | 0.9962 | 0.01–5 | 2.1 | 3.9 | 109.5 ± 1.0 | 102.5 ± 6.0 | 0.0015 | 0.0049 |
| BHT | 0.9966 | 0.01–5 | 6.8 | 5.9 | 101.0 ± 3.2 | 108.0 ± 5.3 | 0.0010 | 0.0033 |
| TCS | 0.9909 | 0.01–5 | 2.0 | 2.0 | 116.4 ± 3.9 | 89.8 ± 6.8 | 0.0032 | 0.010 |
| MeP | 0.9912 | 0.02–5 | 6.1 | 5.1 | 96.0 ± 1.0 | 107.3 ± 5.1 | 0.0060 | 0.019 |
| EtP | 0.9965 | 0.1–5 | 1.0 | 20 | 106 ± 16 | 98.6 ± 1.7 | 0.027 | 0.089 |
| iPrP | 0.9912 | 0.05–5 | 3.3 | 8.6 | 81.0 ± 1.0 | 70.8 ± 7.5 | 0.013 | 0.043 |
| PrP | 0.9936 | 0.2–5 | 5.1 | 5.7 | 103 ± 14 | 95.9 ± 1.4 | 0.065 | 0.21 |
| iBuP | 0.9900 | 0.1–5 | 14 | 18 | 116 ± 20 | 76 ± 10 | 0.026 | 0.086 |
| BzP | 0.9903 | 0.02–5 | 6.4 | 7.3 | 94.2 ± 9.2 | 100.0 ± 2.7 | 0.0071 | 0.024 |
| Plasticizers | ||||||||
| DMP | 0.9916 | 0.05–5 | 12 | 16 | 109.3 ± 6.5 | 103 ± 10 | 0.0070 | 0.023 |
| DEP | 0.9971 | 0.1–5 | 0.1 | 1.6 | n.c. | n.c. | 0.035 | 0.12 |
| DIBP | 0.9935 | 0.05–5 | 3.0 | 3.2 | 105.3 ± 8.3 | 100.5 ± 1.0 | 0.0071 | 0.023 |
| DBP | 0.9917 | 0.1–5 | 13 | 19 | 103.7 ± 5.9 | 101.4 ± 2.5 | 0.025 | 0.082 |
| DMEP | 0.9955 | 0.05–5 | 3.1 | 3.1 | 117.0 ± 5.0 | 72.8 ± 3.1 | 0.014 | 0.046 |
| DIPP | 0.9922 | 0.01–5 | 16 | 16 | 93.9 ± 9.5 | 102.0 ± 1.0 | 0.0033 | 0.011 |
| DPP | 0.9935 | 0.01–5 | 16 | 19 | 91.9 ± 9.2 | 72.6 ± 4.2 | 0.0035 | 0.011 |
| BBP | 0.9935 | 0.02–5 | 12 | 17 | 100.8 ± 7.8 | 99.3 ± 6.0 | 0.0041 | 0.014 |
| DIHP | 0.9908 | 0.05–5 | 2.9 | 17 | 117.3 ± 6.7 | 97.3 ± 1.9 | 0.010 | 0.033 |
| DEHP | 0.9916 | 0.1–5 | 8.4 | 9.8 | 117.0 ± 2.4 | 115.1 ± 2.7 | 0.026 | 0.086 |
| DCHP | 0.9951 | 0.05–5 | 5.3 | 4.0 | 93.9 ± 2.1 | 96.9 ± 2.0 | 0.0082 | 0.027 |
| DPhP | 0.9929 | 0.1–5 | 3.0 | 4.9 | 120.0 ± 1.3 | 118.1 ± 9.2 | 0.034 | 0.11 |
| DNOP | 0.9978 | 0.05–5 | 15 | 10 | 107.4 ± 5.4 | 105.8 ± 5.3 | 0.014 | 0.046 |
| DMA | 0.9927 | 0.05–5 | 6.8 | 6.5 | 80.0 ± 7.0 | 83.2 ± 8.3 | 0.014 | 0.046 |
| DEA | 0.9909 | 0.01–5 | 3.3 | 8.0 | 84.6 ± 7.7 | 97.3 ± 5.7 | 0.0010 | 0.0033 |
| DEHA | 0.9925 | 0.1–5 | 16 | 11 | 97.1 ± 6.8 | 101 ± 14 | 0.020 | 0.066 |
a
Equivalent to μg g−1 in the cosmetic sample. n.c.: not calculated since DEP appeared in the sample.