Table 3 Peak constituents of the optimal classification models for gills (A) and digestive gland (B) of Blue mussels exposed to 0.5 mg/L crude oil (oil) and 0.5 mg/L crude oil spiked with a mixture of APs and PAHs (0.1 mg/L; sO) for 21 days. The score equals the discriminatory weight of the variable within the classifier. A pre-selection of highly significant peaks (p < 0.001) has been carried out prior to model construction.

oil vs. C

sO vs. C

Peak [m/z]

Score [%]

Peak [m/z]

Score [%]

14847

100.00

6696

100.00

9661

86.57

28017

45.98

6696

65.34

40456

35.26

44667

54.41

14847

27.95

28017

52.31

110694

19.99

40456

31.73

4755

18.53

12848

12.86

31830

17.12

20316

10.60

6103

16.51

29340

9.09

88989

14.53

44667

12.89

oil vs. C

sO vs. C

Peak [m/z]

Score [%]

Peak [m/z]

Score [%]

16413

100.00

7811

100.00

28764

89.59

9172

55.46

18250

77.33

18250

54.69

12481

54.11

7410

47.04

7410

48.11

4744

40.56

8489

21.94

3984

20.99

16196

13.41

12481

11.73

28764

8.17