1
2
Supplementary data
3
4
5
Table S1: Carbon number and DBE range of the main oxygenated species detected in the
OSPW samples.
Species
Sample
Negative mode
Carbon
DBE
number
O2
O3
O4
O5
6
Positive mode
Carbon
DBE
number
Untreated
7 to 25
1 to 17
8 to 24
2 to 14
20 mg ozone
6 to 25
1 to 17
6 to 24
2 to 14
50 mg ozone
6 to 25
1 to 17
6 to 24
2 to 14
Untreated
9 to 21
2 to 12
7 to 24
2 to 14
20 mg ozone
5 to 21
2 to 12
6 to 22
2 to 13
50 mg ozone
5 to 21
2 to 12
6 to 21
2 to 12
Untreated
6 to 24
2 to 13
7 to 26
2 to 12
20 mg ozone
5 to 20
2 to 12
7 to 26
2 to 12
50 mg ozone
5 to 20
2 to 12
7 to 26
2 to 12
Untreated
9 to 21
3 to 12
11 to 19
2 to 10
20 mg ozone
7 to 21
3 to 12
9 to 19
2 to 10
50 mg ozone
7 to 21
3 to 12
9 to 19
2 to 10
7
8
Table S2: Carbon number and DBE range of the main sulfurated species detected in the OSPW
samples.
Species
Sample
Negative mode
Carbon
DBE
number
SO
SO2
SO3
SO4
9
10
Positive mode
Carbon
DBE
number
Untreated
11 to 25
4 to 14
7 to 23
2 to 9
20 mg ozone
12 to 24
4 to 14
9 to 23
2 to 12
50 mg ozone
12 to 24
4 to 14
8 to 23
2 to 12
Untreated
10 to 22
1 to 10
6 to 21
2 to 9
20 mg ozone
12 to 22
1 to 10
7 to 23
2 to 12
50 mg ozone
12 to 22
1 to 10
6 to 20
2 to 8
Untreated
8 to 22
1 to 12
8 to 21
2 to 9
20 mg ozone
5 to 22
1 to 12
8 to 21
2 to 9
50 mg ozone
5 to 22
1 to 12
8 to 18
2 to 9
Untreated
8 to 20
1 to 10
7 to 23
2 to 7
20 mg ozone
7 to 20
1 to 10
9 to 18
2 to 9
50 mg ozone
6 to 20
1 to 10
8 to 23
2 to 7
11
12
13
14
15
16
17
18
19
Figure S1. Heat plots showing the production or degradation of species in the O5 class for ESI- and
ESI+ in both ozonated samples (20 and 50 mg/L O3) relative to the unozonated control sample.
Orange and red colours indicate a net increase in the response over the control (suggesting
production as a byproduct), while greens and blues indicate a net decrease, or degradation. At the
low ozone dose, most species show production as byproducts, whereas at the higher doses,
particularily in ESI- mode, net degradation becomes more prominent.