Table S3: LC-MS/MS Parameters Established for the SRM Acquisition Mode of Target Pharmaceuticals

Table S3: LC-MS/MS parameters established for the SRM acquisition mode of target pharmaceuticals [18].

ESI mode
(+/-) / Precursor ion
(m/z) / CV a
(V) / Product ion
(m/z) / C.Eb.
(V) / Product ion
(m/z) / C.Eb.
(V) / Ion ratioc (%) / Permittedd tolerances / LOQe
(ng/L)
ATC Codes / Alimentary tract and metabolism: Stomatological (A01), Antiinfectives and antiseptics for local oral treatment (A01AB), Acid related disorders (A02), Antidiarrheals and Anti-ulcer (A07), andCorticosteroids acting locally (A07EA)
A02BC01 mlt / 4-OH-omeprazole / + / 330.2 / 45 / 120.1 / 30 / 149.9 / 20 / 60.3±10 / ±20 / 5.0
A02BC01 mlt / 5-desMe omeprazole / + / 348.2 / 35 / 150.2 / 25 / 120.1 / 35 / 78.6±3.2 / ±20 / 1.2
A07EC04 / Carbadox / + / 263.2 / 35 / 231.1 / 10 / 129.5 / 25 / 52.9±3.5 / ±20 / 4.6
A02BA01 / Cimetidine / + / 253.2 / 30 / 159.1 / 15 / 117.1 / 15 / 50.4±2.9 / ±20 / 0.4
A01AB03 mlt. / Chlorhexidine / + / 505.2 / 40 / 335.9 / 20 / 184.0 / 30 / 58.6±1.0 / ±20 / 8.6
A02BA03 / Famotidine / + / 338.2 / 25 / 189.2 / 20 / 259.2 / 10 / 66.6±4.7 / ±20 / 6.2
A02BC93 / Lansoprazole / + / 370.2 / 25 / 252.1 / 10 / 119.1 / 25 / 25.5±9.9 / ±25 / 1.6
A01AB09 mlt. / Miconazole / + / 417.1 / 55 / 161.3 / 35 / 123.3 / 70 / 30.1±2.2 / ±25 / 15
A02BC01 / Omeprazole / + / 346.3 / 20 / 198.1 / 10 / 151.0 / 20 / 32.8±3.5 / ±25 / 0.4
A07EA03 / Prednisone / - / 357.1 / 30 / 327.1 / 20 / 149.0 / 40 / 20.6±2.1 / ±25 / 8.0
A02BA02 / Ranitidine / + / 315.3 / 30 / 176.2 / 15 / 130.1 / 25 / 65.2±3.8 / ±20 / 1.5
Cardiovascular system: Lipid Modifying Agents (C10)
C10AB02 / Bezafibrate / - / 360.2 / 20 / 274.2 / 20 / 154.1 / 10 / 12.4±1.3 / ±30 / 4.0
C10AB01 / Clofibric acid / - / 213.2 / 20 / 127.0 / 10 / 84.9 / 15 / 15.9±5.1 / ±30 / 5.0
C10AB05 / Fenofibrate / + / 361.3 / 35 / 233.2 / 15 / 139.1 / 25 / 74.3±3.9 / ±20 / 2.0
C10AB04 / Gemfibrozil / - / 249.3 / 25 / 121.1 / 15 / 127.1 / 10 / 8.5±0.5 / ±50 / 3.0
C10AA03 / Mevastatin / + / 391.3 / 25 / 185.2 / 10 / 159.2 / 25 / 64.5±8.0 / ±20 / 5.8
C10AA03 / Pravastatin / + / 447.3 / 45 / 327.2 / 30 / 30
C10AA01 / Simvastatin / + / 419.4 / 30 / 199.3 / 10 / 285.3 / 10 / 97.1±2.4 / ±20 / 0.4
Dermatologicals: Antifungals (D01), Antiseptics (D08)
D01AE12 / Salicylic acid** / - / 137.1 / 30 / 93.0 / 15 / 64.8 / 30 / 8.5±0.3 / ±50 / 40
D08AE04 / Triclosan / - / 287.1 / 20 / 35.0 / 10 / 289>35 / 10 / 60.6±7.7 / ±20 / 4.0
Genito-urinary system and sex hormones: Urologicals (G04)
G04BE03 / Sildenafil / + / 475.3 / 55 / 99.9 / 40 / 283.2 / 40 / 15.2±1.9 / ±30 / 0.9
G04BE03 mlt / Sildenafil des-methyl / + / 461.3 / 60 / 85.2 / 30 / 283.2 / 35 / 80.1±4.9 / ±20 / 1.4
Antiinfectives for systemic use: Antibacterials (J01) Veterinary: Antibacterials for systemic use (QJ01)
J01CA04 / Amoxicillin / + / 366.3 / 20 / 349.1 / 10 / 114.0 / 20 / 0.11±0.03 / ±50 / 115
J01FA10 / Azithromycin / + / 749.7 / 55 / 158.2 / 45 / 591.5 / 30 / 63.5±6.0 / ±20 / 1.0
J01FA09 / Clarithromycin / + / 748.7 / 35 / 158.2 / 30 / 590.4 / 20 / 13.9±1.3 / ±30 / 0.2
J01AA04 / Chlorotetracycline / + / 479.2 / 40 / 462.3 / 20 / 444 / 20 / 62.4±6.3 / ±20 / 240
J01FA01 / Erythromycin / + / 734.7 / 35 / 158.1 / 30 / 576.4 / 20 / 21.5±1.2 / ±25 / 0.2
J01FF02 / Lincomycin / + / 407.3 / 40 / 126.1 / 25 / 359.2 / 20 / 5.5±0.4 / ±50 / 0.9
QJ01MQ01 / Olaquindox / + / 264.2 / 30 / 143.1 / 30 / 221.2 / 15 / 51.2±7.5 / ±20 / 3.6
J01FA06 / Roxithromycin / + / 873.7 / 40 / 158.2 / 35 / 679.5 / 25 / 21.5±9.1 / ±25 / 0.2
J01ED01 / Sulfadimethoxine / + / 311.2 / 40 / 156.1 / 20 / 92.0 / 30 / 35.5±0.9 / ±25 / 0.8
J01EB03 / Sulfamethazine / + / 279.2 / 40 / 186.1 / 15 / 124.1 / 25 / 55.8±10.0 / ±20 / 0.7
J01EC01 / Sulfamethoxazole / + / 254.2 / 30 / 156.1 / 15 / 92.0 / 25 / 70.2±7.0 / ±20 / 1.1
J01AA07 / Tetracycline / + / 445.3 / 30 / 428.0 / 15 / 110
J01EA01 / Trimethoprim / + / 291.3 / 50 / 230.2 / 20 / 123.0 / 30 / 90.6±12.0 / ±20 / 1.1
QJ01FA90 / Tylosin / + / 916.7 / 65 / 174.2 / 40 / 772.5 / 40 / 1.6±0.4 / ±50 / 0.4
Musculo-skeletal system: Antiinflammatory and antirheumatic products (M01)
M01AB05 / Diclofenac / - / 294.1 / 20 / 250.1 / 10 / 214.0 / 20 / 6.1±1.7 / ±50 / 4.0
M01AE04 / Fenoprofen / - / 241.2 / 20 / 197.2 / 10 / 93.0 / 25 / 16.9±1.7 / ±30 / 12
M01AE01 / Ibuprofen / - / 205.2 / 25 / 161.2 / 10
M01AB01 / Indomethacin / - / 356.2 / 20 / 312.1 / 10 / 270.0 / 15 / 22.2±1.5 / ±25 / 10
M01AE03 / Ketoprofen / - / 253.2 / 30 / 209.2 / 10 / 197.0 / 10 / 21.3±14 / ±25 / 30
M01AG01 / Mefenamic acid / - / 240.2 / 35 / 196.2 / 15 / 180.0 / 25 / 11.2±1.6 / ±30 / 5.0
M01AE02 / Naproxen / - / 229.2 / 20 / 170.1 / 15 / 185.2 / 10 / 75.5±12.7 / ±20 / 8.0
Nervous system: Analgesics (N02, psycholeptics (N05)
N02BE01 / Acetaminophen / + / 152.2 / 30 / 110.1 / 15 / 92.9 / 25 / 5.9±2.1 / ±50 / 1.4
N05CA02 / Amobarbital / - / 225.2 / 30 / 84 / 15 / 138.1 / 15 / 22.4±7.5 / ±25 / 8.0
none / Butalbital / - / 223.2 / 25 / 42 / 10 / 180.2 / 10 / 78.4±9.5 / ±20 / 15
N05CA16 / Hexobarbital / - / 235.2 / 25 / 42 / 20 / 159.0 / 15 / 17.8±0.4 / ±30 / 20
N05CA01 / Pentobarbital / - / 225.2 / 25 / 42 / 20 / 182.2 / 10 / 81.9±7.4 / ±20 / 8.0
N05CA24 / Phenobarbital / - / 231.1 / 20 / 42 / 20 / 188.2 / 10 / 41.2±3.0 / ±25 / 15
N05CA06 / Secobarbital / - / 237.2 / 25 / 42 / 20 / 194.2 / 10 / 84.1±2.3 / ±20 / 9.0
X-ray contrast media: (V08)
V08AA01 / Diatrizoic acid / + / 614.9 / 40 / 361.0 / 20 / 233.2 / 40 / 3.4±0.3 / ±50 / 17
V08AB02 / Iohexol / + / 822.0 / 45 / 803.9 / 20 / 448.0 / 30 / 10.3±4.3 / ±30 / 30
V08AB05 / Iopromide / + / 792.0 / 45 / 300.0 / 55 / 572.9 / 25 / 80.0±8.8 / ±20 / 17

a C.V. Cone voltatge; b C.E.: collision energy; c% Relative intensity between confirmation and quantification transitions; d Permitted tolerances on the basis of relative intensity to acomplish with EU guidelines [European Union decision 2002/657/EC];