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. 2018 Sep 6;8:13333. doi: 10.1038/s41598-018-31215-w

Table 3.

Parameters used in the LC-MS analysis.

Compound Retention time (minutes) Ionisation mode SRM transition Collision energy
Phenacetin 4.3 Positive 180 > 110 24
Paracetamol 3.1 Positive 152 > 110 24
Tolbutamide 1.8 Negative 269 > 170 20
4-Hydroxytolbutamide 1.1 Negative 285 > 186 20
Carboxytolbutamide 1.2 Negative 299 > 200 19
Diclofenac nd nd nd nd
4-Hydroxydiclofenac 4.9 Positive 312 > 230 24
Amitriptyline 4.7 Positive 278 > 91 32
Nortriptyline 4.6 Positive 264 > 91 32
Clomipramine 4.2 Positive 315 > 86 24
Norclomipramine 4.1 Positive 301 > 72 24
Dextromethorphan 3.8 Positive 272 > 171 37
Dextrorphan 3.4 Positive 258 > 157 38
3-Methoxymorphinan 3.7 Positive 258 > 215 20
Nifedipine 5.4 Positive 329 > 284* 24
Oxidised nifedipine 5.1 Positive 345 > 284 24

Rows group parent compound (top) and corresponding metabolites. nd = not detected, *parent ion selected results from loss of water from the protonated molecular ion.