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Table 4 Top 20 prioritized suspects for further confirmation of identity

From: Clustering and prioritization to design a risk-based monitoring program in groundwater sources for drinking water

Suspect

CAS

Feature (m/z/RT)

Frequency of detection (%)

Ratio average concentration in I.S.-eq/minimum AC50

Ionization mode

1-Ethylpyrrolidin-2-one

2687-91-4

114.0913/12.54

1.10

84794

+

Cladribine

4291-63-8

286.0724/16.65

18.10

116

+

Menthyl anthranilate

134-09-8

276.1967/29.87

31.90

80

+

Hexamethylphosphoric triamide; hexamethylphosphoramide

680-31-9

180.1255/15.48

2.10

170

+

Metandienone

72-63-9

301.2155/27.50

1.10

692

+

2,6-Di-tert-butylquinone

719-22-2

221.1538/29.00

3.20

62

+

Ethinylestradiol

57-63-6

297.1856/28.40

1.10

157

+

b-Estradiol-17-valerate

979-32-8

357.2408/30.78

1.10

1477

+

4-Methylmorpholine

109-02-4

102.0912/12.88

1.10

734

+

Oxydipropyl dibenzoate

27138-31-4

343.1547/22.42

1.10

196

+

Napropamide

15299-99-7

190.1252/22.16

2.10

4376

Stiripentol

49763-96-4

233.1191/26.53

8.50

194

Zeranol (alfa zearalanol, a-zal)

26538-44-3

321.1688/28.30

3.20

1072

7-Oxabicyclo[4.1.0]hept-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate

2386-87-0

251.1291/23.62

1.10

541

Triisobutyl phosphatea

126-71-6

265.1592/25.63

1.10

249

4-Amino-6-chlorotoluene-3-sulphonic acid

88-51-7

219.9843/14.47

2.10

342

Ethyl 2,3-epoxy-3-phenylbutyrate

77-83-8

219.1030/21.94

6.40

43

3-Hydroxybenzoic acid

99-06-9

137.0256/14.34

1.10

223

Dichlorprop

120-36-5

232.9797/18.48

1.10

353

  1. aTriisobutyl phosphate has a similar mass as tributylphosphate detected in concentrations up to 0.2 µg/L