Table 1.
| Sample | Q1 m/z | Chemical Structure | SignalIPA/SignalNit | SignalHe/SignalN2 at Max SV |
|---|---|---|---|---|
| Histamine | 112.0 | C5H10N3 | 0.42 | 0 |
| Methylhistamine | 126.0 | C6H12N3 | 1 | 0.02 |
| Melamine | 127.1 | C3H7N6 | 1 | 0.02 |
| Ammelide | 129.1 | C3H5N4O2 | 0.32 | 0 |
| Leucine | 132.1 | C6H14NO2 | 1 | 0 |
| Acetaminophen | 152.2 | C8H10NO2 | 0.32 | 0.02 |
| Ephedrine | 166.1 | C10H16NO | 1 | 0 |
| Caffeine | 195.1 | C8H11N4O2 | 0.01 | 0.04 |
| Nirvanol | 205.3 | C11H13N2O2 | 0.007 | 0.14 |
| Minoxidil | 210.1 | C9H16N5O | 1 | 0.25 |
| Butabarbital | 213.2 | C10H17N2O3 | 1 | 0.16 |
| Mephenytoin | 219.1 | C12H15N2O2 | 0 | 0.14 |
| Bucetin | 224.1 | C12H18NO3 | 1 | 0.15 |
| Acyclovir | 226.1 | C8H12N5O3 | 1 | 0.01 |
| Naproxen | 231.1 | C14H15O3 | 0.004 | 0.08 |
| Norfentanyl | 233.2 | C14H21N2O | 1 | 0.23 |
| Bentazon | 241.1 | C10H13N2O3S | 0 | 0.12 |
| Methoxymephenytoin | 249.2 | C13H17N2O3 | 0.007 | 0.37 |
| Lamotrigine | 256.0 | C9H7Cl2N5 | 1 | 0.34 |
| Tramadol | 264.2 | C16H26NO2 | 0.76 | 0.16 |
| Tolbutamide | 271.1 | C12H19N2O3S | 0.09 | 0.41 |
| Nordiazepam | 271.1 | C15H12ClN2O | 1 | 0.39 |
| Clenbuterol | 277.1 | C12H18Cl2N2O | 1 | 0.32 |
| Venlafaxine | 278.2 | C17H28NO2 | 0.82 | 0.52 |
| Imipramine | 281.2 | C19H25N2 | 0.67 | 0.40 |
| Diazepam | 285.1 | C16H14ClN2O | 1 | 0.42 |
| Morphine | 286.1 | C17H20NO3 | 1 | 0.84 |
| Benzoylecgonine | 290.1 | C16H20NO4 | 1 | 0.81 |
| Trimipramine | 295.2 | C20H27N2 | 0.65 | 0.48 |
| Dianabol | 301.1 | C20H29O2 | 0.48 | 0.31 |
| Carboxytolbutamide | 301.1 | C12H17N2O5S | 0 | 0.69 |
| Cocaine | 304.1 | C17H22NO4 | 0.83 | 0.44 |
| Quinoxyfen | 308.0 | C15H9Cl2FNO | 1 | 0.56 |
| Phenylbutazone | 309.1 | C19H21N2O2 | 1 | 0.75 |
| Nifenazone | 309.1 | C17H17N4O2 | 0.45 | 0.83 |
| Warfarin | 309.1 | C19H17O4 | 0.82 | 0.57 |
| Benoxinate | 309.2 | C17H29N2O3 | 0.74 | 0.75 |
| Cannabinol | 311.2 | C21H27O2 | 0.01 | 0.77 |
| Safranin Orange | 315.1 | C20H19N4 | 1 | 0.65 |
| Ranitidine | 315.2 | C13H23N4O3S | 0.71 | 0.55 |
| Bromazepam | 316.1 | C14H10BrN3O | 1 | 0.45 |
| Chlorprothixene | 316.1 | C18H19ClNS | 0.90 | 0.62 |
| Clonazepam | 316.1 | C15H11ClN3O3 | 1 | 0.68 |
| Oxycodone | 316.1 | C18H22NO4 | 0.82 | 0.67 |
| Oxfendazole | 316.1 | C15H14N3O3S | 0.57 | 0.82 |
| Fendiline | 316.2 | C23H26N | 1 | 0.73 |
| Pamaquine | 316.2 | C19H30N3O | 0.73 | 0.65 |
| Oxyphenbutazone | 325.1 | C19H21N2O3 | 1 | 0.6 |
| Quinine | 325.2 | C20H25N2O2 | 0.75 | 0.71 |
| Citalopram | 325.2 | C20H22FN2O | 0.56 | 0.75 |
| Midazolam | 326.1 | C18H14ClFN3 | 1 | 0.49 |
| 6-Acetylmorphine | 328.3 | C19H22NO4 | 1 | 1 |
| Piroxicam | 332.1 | C15H14N3O4S | 1 | 0.58 |
| Buscopan | 360.1 | C21H30NO4 | 0.81 | 0.73 |
| Prednisolone | 361.1 | C21H29O5 | 0.65 | 0.52 |
| Hydrocortisone | 363.2 | C21H31O5 | 0.05 | 1.12 |
| Tamoxifen | 372.1 | C26H30NO | 0.88 | 0.82 |
| Trazodone | 372.2 | C19H23ClN5O | 0.70 | 0.98 |
| Haloperidol | 376.1 | C21H23ClFNO2 | 0.76 | 0.93 |
| Lovastatin | 405.2 | C24H37O5 | 0.25 | 0 |
| Beclomethasone | 409.1 | C22H29ClO5 | 0.52 | 0 |
| Verapamil | 455.3 | C27H39N2O4 | 0.92 | 0.75 |
| Morphine Glucuronide | 462.1 | C23H28NO9 | 1 | 1.2 |
| Testosterone Glucuronide | 465.1 | C25H37O8 | 0 | 1.16 |
| Sildenafil | 475.2 | C22H31N6O4S | 0.84 | 0.83 |
| Ketoconazole | 531.1 | C26H28Cl2N4O4 | 0.68 | 0.89 |
| Leucine Enkephalin | 556.4 | C28H38N5O7 | 0.92 | 1.15 |
| Reserpine | 609.2 | C33H41N2O9 | 0.92 | 1.12 |
| Bromocryptin | 654.1 | C32H40BrN5O5 | 0.44 | 1.14 |
| Erythromycin | 735.0 | C37H68NO13 | 0.55 | 0.98 |