Table 1.
List of target analytes and their MRM parameters; precursor ion (Q1), product ion (Q3), declustering potential (DP), entrance potential (EP), collision energy (CE), and collision exit potential (CXP).
| S.No | Analyte Name | Abbreviation | Q1 | Q3 | DP(V) | EP(V) | CE(V) | CXP(V) |
|---|---|---|---|---|---|---|---|---|
| 1 | aniline | Aniline | 94.0 | 77.1 | 80 | 8 | 25.0 | 10 |
| 2 | 2-naphthylamine | 2-NA | 144.0 | 127.1 | 80 | 8 | 32.0 | 10 |
| 3 | para-anisidine | p-Anisidine | 124.0 | 93.0 | 100 | 10 | 22.5 | 10 |
| 4 | ortho-anisidine | o-Anisidine | 124.0 | 109.0 | 80 | 10 | 23.0 | 10 |
| 5 | 2,4-dimethylaniline | 2,4-DMA | 122.0 | 107.0 | 100 | 10 | 22.5 | 10 |
| 6 | 2,6-dimethylaniline | 2,6-DMA | 122.1 | 105.0 | 95 | 10 | 22.0 | 10 |
| 7 | para-cresidine | p-CD | 138.0 | 123.0 | 102 | 10 | 25.5 | 10 |
| 8 | 2-methyl-5-nitroaniline | 5-NTD | 152.9 | 107.2 | 81 | 7 | 23.7 | 7 |
| 9 | para-toluidine | p-TD | 108.1 | 91.0 | 95 | 8 | 25.0 | 8 |
| 10 | ortho/meta-toluidine | o/m-TD | 108.0 | 91.0 | 100 | 10 | 23.0 | 8 |
| 11 | 4-chloroaniline | 4-CA | 128.1 | 93.1 | 95 | 8 | 25.8 | 8 |
| 12 | 3-chloroaniline | 3-CA | 127.8 | 93.0 | 100 | 7.5 | 25.0 | 8 |
| 13 | 2,4,5-trimethylaniline | 2,4,5-TMA | 136.0 | 121.0 | 80 | 7 | 22.4 | 8 |
| 14 | 2,4,6-trimethylaniline | 2,4,6-TMA | 136.0 | 121.0 | 80 | 7 | 22.4 | 8 |
| 15 | 3,3'-dimethylbenzidine | 3,3'-DMBD | 213.1 | 196.0 | 100 | 8 | 29.0 | 8 |
| 16 | 4-ethoxyaniline | 4-EA | 138.1 | 110.1 | 100 | 7 | 20.0 | 8 |
| 17 | 3,4-dichloroaniline | 3,4-DCA | 162.0 | 127.1 | 100 | 10 | 28.0 | 10 |
| 18 | 1,3-phenylenediamine | 1,3-PLD | 109.1 | 92.2 | 100 | 10 | 22.0 | 10 |
| 19 | 4-chloro-o-toluidine | 4-CTD | 142.1 | 107.1 | 100 | 10 | 22.5 | 10 |
| 20 | 4,4'-oxydianiline | 4,4-OD | 201.2 | 108.0 | 100 | 9 | 25.0 | 10 |
| 21 | 4-aminoacetanilide | 4-AA | 150.9 | 109.0 | 100 | 5 | 23.0 | 6 |
| 22 | 4,4'-methylenedi-o-toluidine | 4,4'-MTD | 227.1 | 120.1 | 70 | 7 | 33.5 | 8 |
| 23 | 4,4'-methylenebis(2-chloroaniline) | 4,4'-MBCA | 267.1 | 231.1 | 100 | 9 | 29.3 | 10 |
| 24 | 2-aminobiphenyl | 2-ABP | 170.0 | 153.2 | 87 | 9 | 28.1 | 10 |
| 25 | 4-aminobiphenyl | 4-ABP | 170.1 | 152.2 | 100 | 10 | 41.0 | 10 |
| 26 | benzidine | BD | 185.2 | 167.0 | 100 | 10 | 37.0 | 10 |
| 27 | ortho-dianisidine | o-DAD | 245.1 | 230.2 | 100 | 7 | 26.0 | 8 |
| 28 | 4,4'-thiodianiline | 4,4'-TD | 217.1 | 124.1 | 100 | 10 | 30.0 | 10 |
| 29 | 4,4'-methylenedianiline | 4,4'-MDA | 199.0 | 106.0 | 100 | 10 | 21.0 | 8 |
| 30 | 3,4-diaminotoluene | 3,4-DAT | 123.0 | 106.1 | 90 | 7 | 25.0 | 8 |
| 31 | 2,4-diaminotoluene | 2,4 DAT | 123.0 | 106.0 | 100 | 10 | 21.0 | 10 |
| 32 | 2,6-diaminotoluene | 2,6-DAT | 123.0 | 106.1 | 90 | 7 | 25.0 | 8 |
| 33 | 3,4/ 2,4-diaminoanisole | 3,4/2,4-DAAS | 139.0 | 124.1 | 80 | 10 | 23.0 | 10 |
| 34 | 3-(3-aminobenzyl)phenylamine | 3-3AB-PA | 199.2 | 106.1 | 110 | 10 | 24.0 | 10 |
| 35 | 2,2'-dimethyl-(1,1'-biphenyl)4,4'-diamine | DMBPDA | 213.0 | 181.1 | 100 | 10 | 32.0 | 10 |
| 36 | 2-amino-6-methoxybenzothiazole | 2-AMoBzT | 181.0 | 67.2 | 100 | 10 | 60.0 | 10 |
| 37 | 1,1-bis(4-aminophenyl)cyclohexane | 1,1-BPCH | 267.0 | 106.1 | 100 | 8 | 39.0 | 8 |
| 38 | nicotine | Nicotine | 163.1 | 13.0 | 60 | 8 | 30.0 | 10 |
| 39 | cotinine | Cotinine | 177.5 | 98.1 | 100 | 9 | 26.0 | 10 |
| 40 | ortho-aminoazotoluene | o-AAT | 226.0 | 91.1 | 95 | 8 | 29.0 | 7 |
| 41 | 4-aminoazobenzene | 4-AAB | 198.1 | 77.0 | 100 | 10 | 24.0 | 10 |
| Internal standards | ||||||||
| 45 | aniline-d5 | Aniline-D5 | 99.0 | 82.0 | 60 | 8 | 25.0 | 10 |
| 46 | 2-naphthylamine-d7 | 2-NA-D7 | 151.0 | 134.1 | 60 | 8 | 32.0 | 10 |
| 47 | ortho-anisidine-d7 | o-Anisidine-D7 | 131.0 | 113.0 | 80 | 10 | 24.0 | 8 |
| 48 | 2,3,4,5-para-anisidine-d4 | p-Anisidine-D4 | 128.0 | 97.1 | 100 | 10 | 26.0 | 8 |
| 49 | ortho-toluidine-13C6 | o-TD-13C6 | 114.0 | 97.0 | 100 | 10 | 25.0 | 10 |
| 50 | para-toluidine-d7 | p-TD-D7 | 114.9 | 98.1 | 100 | 10 | 25.5 | 10 |
| 51 | 4-chloroaniline-13C6 | 4-CA-13C6 | 134.1 | 99.1 | 85 | 7 | 24.4 | 9 |
| 52 | 1,3-benzenediamine-d4 | 1,3-PLD-D4 | 112.9 | 96.2 | 100 | 10 | 22.0 | 9 |
| 53 | 2,6-diaminotoluene-d3 | 2,6-DAT-D3 | 126.2 | 109.2 | 95 | 10 | 22.0 | 10 |
| 54 | 2,4-diaminotoluene-d3 | 2,4-DAT-D3 | 126.2 | 109.2 | 95 | 10 | 22.0 | 10 |
| 55 | 3,4-dichloroaniline-d2 | 3,4-DCA-D2 | 164.1 | 129.1 | 95 | 8 | 28.8 | 10 |
| 56 | 2,4,6-trimethylbenzeneamine-d11 | 2,4,6-TMS-D11 | 147.0 | 130.2 | 95 | 10 | 24.5 | 10 |
| 57 | benzidine-d8 | BD-D8 | 193.0 | 176.0 | 100 | 10 | 28.3 | 10 |
| 58 | 2,4-dimethylaniline-d6 | 2,4-DMA-D6 | 128.1 | 111.2 | 100 | 9 | 24.3 | 8 |
| 59 | 2,6-dimethylaniline-d6 | 2,6-DMA-D6 | 128.1 | 111.2 | 100 | 9 | 24.3 | 8 |
| 60 | 4'-aminoacetanilide-2',3',5',6'-d4 | 4-AAD-D4 | 155.1 | 113.0 | 100 | 7 | 22.4 | 8 |
| 61 | cotinine-d3 | Cotinine-D3 | 180.2 | 101.2 | 100 | 9 | 26.0 | 10 |
| 62 | nicotine -d3 | Nicotine -D3 | 166.1 | 13.0 | 60 | 8 | 30.0 | 10 |