Supplementary Material (ESI) for Journal of Environmental Monitoring

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Table 1supp: List of compounds analysed and their abbreviations, also used in the text and figures.

Compound name Abbreviation

Organochlorines

2,4,4’-Trichlorobiphenyl CB-28

2,4’,5-Trichlorobiphenyl CB-31

2,2’,5,5’-Tetrachlorobiphenyl CB-52

2,2’,4,4’,5-Pentachlorobiphenyl CB-99

2,2’,4,5,5’-Pentachlorobiphenyl CB-101

2,3,3’,4,4’-Pentachlorobiphenyl CB-105

2,3,3’,4’,6-Pentachlorobiphenyl CB-110

2,3’,4,4’,5-Pentachlorobiphenyl CB-118

2,2’,3,3’,4,4’-Hexachlorobiphenyl CB-128

2,2’,3,4,4’,5’-Hexachlorobiphenyl CB-138

2,2’,3,4’,5’,6-Hexachlorobiphenyl CB-149

2,2’,3,5,5’,6-Hexachlorobiphenyl CB-151

2,2’,4,4’,5,5-Hexachlorobiphenyl CB-153

2,3,3’,4,4’,5-Hexachlorobiphenyl CB-156

2,2’,3,3’4,4’,5-Heptachlorobiphenyl CB-170

2,2’,3,4,4’,5,5’-Heptachlorobiphenyl CB-180

2,2’,3,4’,5,5’,6-Heptachlorobiphenyl CB-187

2,2’,3,4’,5,6,6’-Heptachlorobiphenyl CB-188

2,2’,3,3’,4,4’,5,5’-Octachlorobiphenyl CB-194

Decachlorobiphenyl CB-209

α-Hexachlorocyclohexane α-HCH Supplementary Material (ESI) for Journal of Environmental Monitoring

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β-Hexachlorocyclohexane β-HCH

γ-Hexachlorocyclohexane γ-HCH

Hexachlorobenzene HCB

Trans-nonachlor TNC p,p’-dichloro-diphenyl-trichloroethane p,p’-DDT p,p’-dichloro-diphenyl-dichloroethylene p,p’-DDE p,p’-dichloro-diphenyl-dichloroethane p,p’-DDD o,p’-dichloro-diphenyl-trichloroethane o,p’-DDT o,p’-dichloro-diphenyl-dichloroethylene o,p’-DDE

PAHs

Naphthalene N

1-Methylnaphthalene 1-MN

2-Methylnaphthalene 2-MN

C2- C2N

C3-Naphthalenes C3N

Acenaphthylene Acy

Acenaphthene Ace

Fluorene F

Dibenzothiophene DBT

C1-Dibenzothiophenes C1DBT

C2-Dibenzothiophenes C2DBT

Phenanthrene P

2-Methylphenanthrene 2MP

C1- C1P

C2-Phenanthrenes C2P

C3-Phenanthrenes C3P Supplementary Material (ESI) for Journal of Environmental Monitoring

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Anthracene Ant

Benzo[a] BaF

Fluoranthene Fl

Pyrene Pyr

1-Methylpyrene 1MPyr

Benzo[a] BaAnt

Chrysene/ Chr/Trp

Benzo[b+j+k] BbjkFl

Benzo[e] BePyr

Benzo[a]pyrene BaPyr

Perylene Per

Indeno[1,2,3-cd]pyrene Ipyr

Benzo[g,h,i] BghiPer

Dibenzo[ah]anthracene DBahAnt

Supplementary Material (ESI) for Journal of Environmental Monitoring

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PCAHeaviness Loadings yoei s Ptoei for PAHs 4-ring vs. Petrogenic Pyrogenic 0.8

0.6 Pyr

0.4

C2P 0.2 BePyr BaF C3N 1MPyrC3P Acy 0 BaAnt 1MNPer Ipyr BaPyr 2MP 2MNDBTAnt C1DBT BghiPer BbjkFl N C2N -0.2 C2DBT Loadings PC#4 (0.959%) C1P P Chr/Trp -0.4 Fl

-0.6

-0.4 -0.2 0 0.2 0.4 0.6 0.8 1 Loadings PC#3 (8.890%)

Figure 1supp: Loading plot of PC3 vs. PC4 for the PCA model based on the mean-centred training set consisting of 40 samples and 27 PAH concentrations.

Supplementary Material (ESI) for Journal of Environmental Monitoring

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PC1 (5 x) 30 10 PC#4 25 PC#3 8 PC#2 20 PC#1 6 15 4 10 2 5 PC scores 0 0 -2 -5

-10 -4 PC2 (5 x)

-15 Bos1_MYT_C Bos3_MYT_H Grl6_MYT_H Syd3_SAC_C Bos2_MYT_C Syd3_MYT_C Far3_MYT_C Tas3_MYT_H Rar3_SAC_H Tas2_MYT_C Syd2_MYT_C CaT2_MYT_C USV2_ISO_H NZ3_MYT_C CaT3_MYT_C Chi1_MYT_R CaT1_MYT_R Gha1_MYT_R Per7_MYT_H Grl7_MYT_C Chi2_MYT_R Rar1_GEL_R DK9_MYT_H Syd1_SAC_R OW2_CHL_R USV1_MYT_R USV1_ISO_R NZ2_MYT_C OW1_CHL_R USV3_ISO_C NZ1_MYT_R Tas1_MYT_R Rar2_GEL_R Tas2_SAC_C Grl2_MYT_R Per2_MYT_R Far1_CHL_R Grl2_MYT_C Grl1_CHL_R Grl3_MYT_R -6

Sample identity

Supplementary Material (ESI) for Journal of Environmental Monitoring

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Figure 2supp: Score plots of PC1 (line with markers) and PC2 to PC4 (cumulative bar plot) for the PCA model based on the mean-centred training set consisting of 40 samples and 27 PAH concentrations. The PC1 scores for the six samples with large ∑PAH27 have been scaled down with a factor of five, while the PC2 scores for Grl6_MYT_H have been scaled up with 5.