Supplementary Materials

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Herniarin. 4-. Methoxy- coumarin. Psoralen. Daphnetin-7- methylether. Isosco- poletin. 6,7-. Dimethyl- esculetin. Xanthotoxin. Berga- pten. Isober- gapten. Isopim ...
Molecules 2017, 22, 174; doi:10.3390/molecules22010174

S1 of S1

Supplementary Materials: A Method for LC-MS/MS Profiling of Coumarins in Zanthoxylum zanthoxyloides (Lam.) B. Zepernich and Timler Extracts and Essential Oils Yoro Tine, Franck Renucci, Jean Costa, Alassane Wélé and Julien Paolini Table S1. Targeted LC-MS/MS profiles of Z. zanthoxyloides extracts obtained among the three replicates (methanolic extraction of each plant part collected on three distinct trees). Intensity of scheduled MRM transition of each coumarin compound were used for PCA-DA analyses Sample Name Fruit extract 1 Fruit extract 2 Fruit extract 3 Leaf extract 1 Leaf extract 2 Leaf extract 3 Root extract 1 Root extract 2 Root extract 3 Stem extract 1 Stem extract 2 Stem extract 3 Trunk extract 1 Trunk extract 2 Trunk extract 3 Fruit oil 1 Fruit oil 2 Fruit oil 3

Coumarin

6Methylcoumarin

7Methylcoumarin

Umbelliferone

Herniarin

4Methoxycoumarin

Psoralen

Daphnetin-7methylether

Isoscopoletin

6,7Dimethylesculetin

Xanthotoxin

Bergapten

Isobergapten

Isopimpinellin

Imperatorin

Scopoletin

2.23 × 103

5.28 × 103

5.23 × 103

4.41 × 104

2.16 × 104

2.31 × 103

5.77 × 105

1.00 × 103

2.66 × 103

8.30 × 104

1.52 × 106

1.22 × 106

2.20 × 103

9.92 × 105

1.65 × 105

1.44 × 103

1.64 × 103

4.55 × 103

4.82 × 103

4.18 × 104

2.22 × 104

2.55 × 103

5.04 × 105

9.97 × 102

2.65 × 103

7.55 × 104

1.51 × 106

1.29 × 106

2.10 × 103

9.58 × 105

1.54 × 105

1.31 × 103

1.36 × 103

4.91 × 103

5.04 × 103

4.21 × 104

2.00 × 104

2.41 × 103

4.68 × 105

1.02 × 103

2.93 × 103

7.26 × 104

1.45 × 106

1.29 × 106

2.12 × 103

9.64 × 105

1.69 × 105

1.34 × 103

4.19 × 102

3.35 × 102

2.22 × 102

3.04 × 102

9.73 × 102

9.94 × 101

1.03 × 104

5.33 × 101

1.16 × 102

8.62 × 102

2.44 × 104

2.23 × 104

1.22 × 102

7.51 × 103

1.85 × 103

6.93 × 101

3.59 × 102

3.02 × 102

2.08 × 102

3.04 × 102

8.90 × 102

1.14 × 102

9.76 × 103

4.56 × 101

1.23 × 102

1.05 × 103

2.54 × 104

2.20 × 104

8.56 × 101

7.27 × 103

1.73 × 103

6.93 × 101

3.00 × 102

2.21 × 102

1.87 × 102

3.99 × 102

8.98 × 102

1.10 × 102

1.01 × 104

5.33 × 101

9.14 × 101

9.29 × 102

2.59 × 104

2.29 × 104

7.24 × 101

7.28 × 103

1.64 × 103

7.04 × 101

1.94 × 102

1.58 × 102

1.65 × 102

1.18 × 102

4.26 × 102

5.59 × 101

5.49 × 102

9.50 × 101

2.75 × 102

2.27 × 102

7.04 × 102

6.50 × 102

9.00 × 101

4.26 × 102

7.51 × 101

1.10 × 102

2.09 × 102

1.70 × 102

1.76 × 102

1.37 × 102

3.89 × 102

5.33 × 101

4.25 × 102

1.38 × 102

2.40 × 102

2.01 × 102

7.54 × 102

6.86 × 102

6.46 × 101

3.94 × 102

6.74 × 101

9.34 × 101

2.00 × 102

1.58 × 102

1.60 × 102

1.33 × 102

4.79 × 102

4.68 × 101

4.87 × 102

1.45 × 102

2.66 × 102

2.14 × 102

7.64 × 102

6.69 × 102

6.49 × 101

4.94 × 102

6.74 × 101

1.33 × 102

1.86 × 102

1.97 × 102

2.08 × 102

2.28 × 102

5.23 × 102

8.38 × 101

8.92 × 102

3.46 × 102

8.67 × 102

1.59 × 104

4.62 × 103

5.81 × 103

3.88 × 101

1.62 × 103

3.49 × 102

4.93 × 102

1.45 × 102

1.89 × 102

2.33 × 102

2.44 × 102

4.71 × 102

4.65 × 101

8.05 × 102

4.01 × 102

9.24 × 102

2.25 × 104

5.06 × 103

6.23 × 103

3.86 × 101

1.63 × 103

3.44 × 102

5.29 × 102

1.62 × 102

1.98 × 102

2.00 × 102

2.68 × 102

4.65 × 102

6.34 × 101

7.83 × 102

3.86 × 102

9.47 × 102

1.61 × 104

4.80 × 103

5.52 × 103

3.86 × 101

1.74 × 103

3.26 × 102

5.34 × 102

1.70 × 102

1.68 × 102

2.12 × 102

1.01 × 103

2.30 × 104

2.61 × 103

4.12 × 102

3.89 × 103

1.00 × 104

1.43 × 105

4.06 × 102

3.74 × 102

4.46 × 101

3.49 × 102

5.31 × 101

4.84 × 103

1.46 × 102

1.69 × 102

2.08 × 102

1.13 × 103

2.06 × 104

2.12 × 103

3.62 × 102

3.93 × 103

9.93 × 103

1.46 × 105

4.60 × 102

4.44 × 102

4.18 × 101

2.73 × 102

4.38 × 101

5.06 × 103

1.30 × 102

1.68 × 102

2.21 × 102

9.88 × 102

2.04 × 104

2.54 × 103

3.13 × 102

3.97 × 103

1.07 × 104

1.46 × 105

3.75 × 102

4.11 × 102

3.86 × 101

2.44 × 102

3.95 × 101

5.47 × 103

3

3

3

2

4

3

6

1

1

3

5

6

3

5

4

4.64 × 101 3.89 × 101 3.89 × 101

1.51 × 10 1.50 × 103 1.62 × 103

6.25 × 10 6.26 × 103 6.99 × 103

5.93 × 10 6.35 × 103 6.46 × 103

3.27 × 10 3.16 × 102 3.24 × 102

4.61 × 10 5.10 × 104 4.76 × 104

5.09 × 10 5.35 × 103 5.54 × 103

1.21 × 10 1.02 × 106 1.21 × 106

6.57 × 10 6.85 × 101 8.36 × 101

5.08 × 10 5.80 × 101 5.79 × 101

2.82 × 10 2.42 × 103 2.34 × 103

9.03 × 10 1.01 × 106 9.41 × 105

1.78 × 10 1.76 × 106 1.64 × 106

1.90 × 10 2.16 × 103 2.07 × 103

2.82 × 10 2.87 × 105 2.89 × 105

9.41 × 10 8.94 × 104 8.93 × 104