Post on 06-Feb-2018
Analytical and Bioanalytical Chemistry
Electronic Supplementary Material
Highly sensitive determination of 68 psychoactive pharmaceuticals,
illicit drugs, and related human metabolites in wastewater by liquid
chromatography – tandem mass spectrometry
V. L. Borova, N. C. Maragou, P. Gago-Ferrero, C. Pistos, Ν.. S. Τhomaidis
Table S1. Analyte names, CAS number, chemical structure, molecular formula, molecular weight, pKa and logKow of the analytes
n/n Compound
class
CAS
Number Compound Chemical structure
Empirical
formula
Molecular
Weight
(g/mol)
pKa logKow
1
Opiates, opioids
and metabolites
57-27-2 Morphine (MOR)
C17H19NO3 285.34
8.0, 9.9a/
(13.5, 9.5,
8.3)b
0.72c
2 2784-73-8 6-Monoacetylmorphine
(6-MAM)
C19H21NO4 327.37 - 1.72c
3 76-99-33 Methadone (METH)
C21H27NO 309.45 8.94a/(9.1)b 4.17c
4 30223-73-5 EDDP
C20H23N 277.41 (8.4)b 4.94c
5 76-57-3 Codeine (COD)
C18H21NO3 299.36 8.2a/(13.4,
8.2)b 1.28c
6 76-42-6 Oxycodone (OC)
C18H21NO4 315.36 8.9a/(13.1,
7.6)b 0.66c
7 52485-79-7 Buprenorphine (BN)
C29H41NO4 467.64 8.5, 10.0a/
(9.5, 8.3)b
4.90c
8
Stimulants
(cocaine
compounds)
50-36-2 Cocaine (COC)
C17H21NO4 303.15 8.6a/(8.9)b 2.17c
9 519-09-5 Benzoylecgonine
(BECG)
C16H19NO4 289.33 11.8a/(10.8,
3.3)b -1.32c
10 7143-09-1 Ecgonine methylester
(EME)
C10H17NO3 199.25 9.16a -0.29c
11
Stimulants
(amphetamines)
42542-10-9 MDMA
C11H15NO2 193.24 9.4a/(10.3)b 2.28c
12 82801-81-8 MDEA
C12H17NO2 207.27 (10.3)b 2.77c
13 4764-17-4 MDA
C10H13NO2 179.22 9.67a/(9.9)b 1.84c
14 537-46-2 Methamphetamine (MA)
C10H15N 149.23 10.1a/(10.4)b 2.22c
15 300-62-9 Amphetamine
C9H13N 135.21 10.1a/(9.9)b 1.76c
16
Hallucinogenic
(cannabinoids)
1972-08-3 Δ9-THC
C21H30O2 314.46 10.6a 7.60c
17 56354-06-4 11-nor-Δ9-THC acid
C21H28O4 344.44 4.7a 6.36c
18 Hallucinogenic
(LSD) 50-37-3 LSD
C20H25N3O 323.43 7.5a/(7.4)b 2.26c
19 - 2-oxo-3-hydroxy-LSD
C20H25N3O3 355.43 (11.7, 6.8)b -
20
Benzodiazepines
tranquilizers
92623-85-3 Alprazolam
C17H13ClN4 308.76 8.2a 3.87c
21 1812-30-2 Bromazepam
C14H10BrN3O 316.15 2.5, 5.2, 11.8a 1.93c
22 58-25-3 Chlordiazepoxide
C16H14ClN3O 299.75 4.8a/ (8.6, 6.5)b -1.57c
23 22316-47-8 Clobazam
C16H13ClN2O2 300.74 1.6a 1.94c
24 439-14-5 Diazepam
C16H13ClN2O 284.74 3.3a 2.70c
25 1088-11-5 Nordiazepam
C15H11ClN2O 270.71
12.0,
3.5a/(11.7,
3.2)b
3.89c
26 1622-62-4 Flunitrazepam
C16H12FN3O3 313.28 1.71a 1.91
27 34084-50-9 7-amine-flunitrazepam
C16H14FN3O 283.30 - 0.78
28 846-49-1 Lorazepam
C15H10Cl2N2O2 321.16 1.3, 11.5a 3.98
29 146-22-5
Nitrazepam
C15H11N3O3 281.30
3.2,
10.8a/(11.4,
2.6)b
2.45c
30 59467-70-8 Midazolam
C18H13ClFN3 325.77 6.15, 1.7a 4.33c
31 604-75-1 Oxazepam
C15H11ClN2O2 286.71
11.6,
1.7a/(12.8,
10.9, 1.2)b
3.34c
32 846-50-4
Temazepam
C16H13ClN2O2 300.74 1.6a/(11.7,1.6)b 2.15c
33
Barbiturates
50-06-6 Phenobarbital
C12H12N2O3 232.24 7.48a
1.33c
34 76-74-4 Pentobarbital
C11H18N2O3 226.27 7.94a
2.00c
35
Antipsychotics
50-53-3 Chlorpromazine
C17H19ClN2S 318.86 9.32a 4.32c
36 5786-21-0 Clozapine
C18H19ClN4 326.82 3.58, 7.94a 3.35c
37 6104-71-8 Norclozapine
C17H17ClN4 312.80 - 3.01c
38 132539-06-1 Olanzapine
C17H20N4S 312.43 5.0, 7.4a 2.56c
39 106266-06-2 Risperidone
C23H27FN4O2 410.48 8.3a 3.49c
40 147687-18-1
9-OH-Risperidone
C23H27FN4O3 426.48 - 1.95c
41
Anesthetics
137-58-6 Lidocaine
C14H22N2O 234.34 7.96a
1.66c
42 437-38-7 Fentanyl
C22H28N2O 336.47 8.99a/(8.9,
0.3)b
3.89c
43 1609-66-1 Norfentanyl
C14H20N2O 232.32 (9.8, 0.3)b 1.70c
44 76-75-5 Thiopental
C11H18N2O2S 242.34 7.4a/(10.72)b 2.87c
45 1867-66-9 Ketamine
C13H16ClNO 237.73 7.5a/(6.5)b
3.12c
46 35211-10-0
Norketamine
C12H14ClNO 223.7 6.7a 2.66c
47 Antiepileptic 298-46-4 Carbamazepine
C15H12N2O 236.27 4.17,12.49a 2.25c
48 84057-84-1 Lamotrigine
C9H7Cl2N5 256.09 5.7a/(19.22)b 0.99c
49 97240-79-4 Topiramate
C12H21NO8S 339.37 8.66a -0.33c
50 102767-28-2 Levetiracetam
C8H14N2O2 170.21 <-2a -0.49c
51 57-41-0 Phenytoin
C15H12N2O2 252.27 8.33a 2.16c
52 125-33-7 Primidone
C12H14N2O2 218.26 11.6a 0.73c
53 99-66-1 Valproic acid
C8H16O2 144.21 4.6a 2.96c
54
Tricyclic
antidepressants
(TCAs)
50-48-6 Amitriptylline
C20H23N 277.40 9.4a 4.95c
55 894-71-3 Nortriptyline
C19H21N 263.4 10.1a 4.74c
56 303-49-1 Clomipramine
C19H23ClN2 314.85 9.38a 5.25c
57 50-49-7 Imipramine
C19H24N2 280.41 9.62a 5.01c
58 1668-19-5
Doxepine
C19H21NO 279.38 8.0a 3.86d
59
Tetracyclic
antidepressants
(TeCAs)
61337-67-5 Mirtazapine
C17H19N3 265.35 7.1a 3.03c
60 - 8-OH mirtazapine
C17H19N3O 281.36 - -
61
SSRIs
(serotonin
replacing
inhibitors)
59729-33-8
Citalopram
C20H21FN2O 324.39 9.38a 3.74c
62 54910-89-3 Fluoxetine
C17H18F3NO 309.33 (10.1)b 4.65c
63 61869-08-7 Paroxetine
C19H20FNO3 329.37 9.51a 2.57c
64 79617-96-2 Sertraline
C17H17Cl2N 306.23 9.48a 5.29c
65 87857-41-8 Norsertraline
(Desmethylsertraline)
C16H15Cl2N 292.20 - 4.82c
66
SNRIs
(Serotonin–
norepinephrine
reuptake
inhibitors)
93413-69-5 Venlafaxine
C17H27NO2 277.40 (9.3)b 3.28c
67
Sympathomimetic
299-42-3 Ephedrine
C10H15NO 165.23 9.6a/(9.5)b 0.68c
68 492-41-1 Norephedrine
C9H13NO 151.21 (12.1, 8.5)b 0.22c
aexperimental pka; btheoretically pka; cKOWWIN v1.67 estimate, (EPI: Estimation Program Interface (EPI) Suite) (from EPA US environmental protection
agency) http://www.epa.gov/opptintr/exposure/pubs/episuite.htm
(‐): Data not available
Table S2. Total Ion Chromatographs and optimum MS source conditions
Column:
reversed-phase, fused-core PentaFluoroPhenyl (PFP)
Positive mode, ESI (+) Spray Voltage: 3500 V
Sheath Gas: 30 a.u
Aux. Gas: 10 a.u
Capillary Temperature: 270°C
Negative mode, ESI (-) Spray Voltage: 2500 V
Sheath Gas: 10 a.u
Aux. Gas: 7 a.u
Capillary Temperature: 300°C
0
50
100
150
200
250
300
350
400
450
Nor
mal
ized
pea
k ar
ea
Mobile phase
Opiates, Opioids and Metabolites
MOR
6MAM
EDDP
COD
OC
0
50
100
150
200
250
300
350
400
Nor
mal
ized
pea
k ar
ea
Mobile phase
Cocaine and Metabolites
COC
BECG
EME
0
100
200
300
400
500
600
Nor
mal
ized
pea
k ar
ea
Mobile phase
THC/THCA, LSD/8-OH-LSD
THC
LSD
THCA
OH-LSD
0
50
100
150
200
250
300
350
Nor
mal
ized
pea
k ar
ea
Mobile phase
Amphetamines
AMP MDMA MDEA MDA MA
0
50
100
150
200
250
300
Nor
mal
ized
pea
k ar
ea
Mobile phase
Benzodiazepines
Alprazolam Nordiazepam Flunitrazepam 7-Amino-Flunitrazepam Bromazepam Diazepam
0
100
200
300
400
500
600
700
Nor
mal
ized
pea
k ar
ea
Mobile phase
Antipsychotics
Clorpromazine Olanzapine Clozapine Venlafaxine Risperidone 9-OH-Risperidone
0
50
100
150
200
250
300
Nor
mal
ized
pea
k ar
ea
Mobile phase
Anesthetic
Lidocaine
Fentanyl
Norfentanyl
Ketamine
0
50
100
150
200
250
300
350
400
Nor
mal
ized
pea
k ar
ea
Mobile phase
Antidepressants
Mirtazapine 8-OH-Mirtazapine Clomipramine Amitriptyline Imipramine
0
50
100
150
200
250
300
350
400
Nor
mal
ized
pea
k ar
ea
Mobile phase
Antiepileptics
Levetiracetam
Carbamazepine
0
20
40
60
80
100
120
140
Nor
mal
ized
pea
k ar
ea
Mobile phase
SSRIs'
Fluoexetine
Paroxetine
0
50
100
150
200
250
300
350
400
450
Nor
mal
ized
pea
k ar
ea
Mobile phase
Ephedrine/Norephedrine
Ephedrine
Norephedrine
Fig. S1. Influence of different mobile phases on the peak areas of target compounds
Table S3. ESI-MS/MS fragmentation patterns of target compounds
n/n Compound class Compound Chemical structure
1
Opiates, opioids and
metabolites
Morphine (MOR)
2 6-Monoacetylmorphine
(6-MAM)
3 Methadone (METH)
4 EDDP
5 Codeine (COD)
6 Oxycodone (OC)
7 Buprenorphine (BN)
8
Stimulants
(cocaine
compounds)
Cocaine (COC)
9 Benzoylecgonine
(BECG)
10 Ecgonine methylester
(EME)
11
Stimulants
(amphetamines)
MDMA
12 MDEA
13 MDA
14 Methamphetamine
(MA)
15 Amphetamine
16
Hallucinogenic
(cannabinoids)
Δ9-THC
17 11-nor-Δ9-THC acid
18
Hallucinogenic
(LSD)
LSD
19 2-oxo-3-hydroxy-LSD
20
Benzodiazepines
tranquilizers
Alprazolam
21 Bromazepam
22 Chlordiazepoxide
23 Clobazam
24 Diazepam
25 Nordiazepam
26 Flunitrazepam
27 7-amine-flunitrazepam
28 Lorazepam
29 Nitrazepam
30 Midazolam
31 Oxazepam
32 Temazepam
33
Barbiturates
Phenobarbital
34 Pentobarbital
35
Antipsychotics
Chlorpromazine
36 Clozapine
37 Norclozapine
(Desmethylclozapine)
38 Olanzapine
39 Risperidone
40 9-OH-Risperidone
41
Anesthetics
Lidocaine
42 Fentanyl
43 Norfentanyl
44 Thiopental
45 Ketamine
46 Norketamine
47
Antiepileptic
Carbamazepine
48 Lamotrigine
49 Topiramate
50 Levetiracetam
51 Phenytoin
52 Primidone
53 Valproic acid
54
Tricyclic
antidepressants
(TCAs)
Amitryptilline
55 Nortriptyline
56 Clomipramine
57 Imipramine
58 Doxepine
59 Tetracyclic
antidepressants
(TeCAs)
Mirtazapine
60 8-OH mirtazapine
61
SSRIs
(serotonin replacing
inhibitors)
Citalopram
62 Fluoxetine
63 Paroxetine
64 Sertraline
65 Norsertraline
(Desmethylsertraline)
66
SNRIs
(Serotonin–
norepinephrine
reuptake inhibitors)
Venlafaxine
67
Sympathomimetic
Ephedrine
68 Norephedrine
Table S4. Concentrations of psychiatric and illicit drugs in influents and effluent wastewaters of Santorini
n Compound
class Compound Kamari Fira Karterados Emporio Ia
Influent
(ng/L)
Effluent
(ng/L)
Influent
(ng/L)
Effluent
(ng/L)
Influent
(ng/L)
Effluent
(ng/L)
Influent
(ng/L)
Effluent
(ng/L)
Influent
(ng/L)
Effluent
(ng/L)
1
Opiates, Opioids
and metabolites
MOR 19.8 2.6 9.6 <LOD 4.6 <LOD 1.8 <LOD 7.8 <LOD
2 6-MAM <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD
3 METH 0.9 4.4 5.6 2.9 <LOD <LOD <LOD 0.6 3.4 <LOD
4 EDDP 2.3 6.3 4.4 6.5 1.2 1.6 1.6 <LOD <LOD <LOD
5 COD 1632 71.9 222.9 111.9 154.5 55.9 97.5 <LOD 85.3 6.7
6 OC 46.8 10.5 43.7 <LOD 15.8 <LOD 27.2 7.9 34.0 <LOD
7 BN 43.7 <LOD 45.2 <LOD 174.5 <LOD <LOD <LOD 36.0 23.6
8 Cocaine and
metabolites
COC 10.2 3.2 9.8 11.4 4.4 <LOD 21.6 <LOD 49.3 <LOD
9 BECG 57.9 3.3 86.9 77.2 9.0 <LOD 81.3 9.4 104.6 <LOD
10 EME 226.9 125.0 212.5 198.4 234.5 117.2 284.2 132.6 114.7 24.2
11
Amphetamines
MDMA <LOD 1.4 <LOD 2.0 2.2 7.8 1.4 0.9 1.0 <LOD
12 MDEA 1.0 0.7 1.2 0.4 0.3 0.3 0.5 <LOD <LOD 1.0
13 MDA <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD
14 MA <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD
15 Amph 8.9 <LOD 10.0 <LOD 7.5 <LOD 5.0 <LOD <LOD <LOD
16 Cannabinoids
Δ9-THC 31.7 7.8 25.5 17.1 9.4 3.9 31.1 22.0 2.8 1.2
17 Δ9-THCA 11.7 30.2 74.4 28.0 237.8 40.9 587.3 40.6 14.2 33.3
18 LSD
LSD 0.7 0.5 1.5 <LOD <LOD <LOD <LOD <LOD <LOD 0.3
19 OH-LSD 42.7 42.7 4.8 22.6 <LOD 27.5 26.8 34.6 9.7 52.1
20
Benzodiazepines
Alprazolam 17.3 10.3 42.0 2.9 11.6 6.4 10.5 7.1 6.6 2.6
21 Bromazepam 315.9 76.4 100.7 87.0 165.5 51.9 73.5 47.5 52.4 33.8
22 Chlordiazepoxide <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD
23 Clobazam 2.4 <LOD <LOD <LOD <LOD <LOD 6.4 <LOD <LOD <LOD
24 Diazepam 1.4 <LOD <LOD 1.8 <LOD <LOD <LOD <LOD <LOD <LOD
25 Nordiazepam 1.4 2.9 1.5 2.6 1.6 3.9 3.1 3.9 0.6 4.7
26 Flunitrazepam <LOD 8.5 <LOD 10.3 <LOD <LOD <LOD <LOD <LOD <LOD
27 7-amine-
flunitrazepam 15.6 <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD
28 Lorazepam 30.0 16.0 24.2 8.3 18.3 11.3 17.9 22.5 13.1 26.6
29 Nitrazepam <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD
30 Midazolam 0.9 0.6 <LOD 0.4 0.5 <LOD <LOD 0.3 0.7 <LOD
31 Oxazepam 62.7 61.3 35.5 26.8 24.5 18.4 38.4 74.1 19.7 5.8
32 Temazepam 2.8 15.9 151.7 22.9 19.3 12.3 20.6 13.0 15.8 3.4
33 Barbiturates
Phenobarbital <LOD <LOD <LOD <LOD <LOD 127.3 <LOD 70.3 <LOD <LOD
34 Pentobarbital 9.9 <LOD <LOD <LOD <LOD <LOD 9.0 <LOD 35.2 <LOD
35
Antipsychotics
Chlorpromazine <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD
36 Clozapine <LOD <LOD <LOD <LOD 19.8 47.7 <LOD <LOD <LOD <LOD
37 Norclozapine 3.0 <LOD 2.8 0.4 2.6 9.7 <LOD 0.5 <LOD 1.5
38 Olanzapine <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD
39 Risperidone 0.5 1.0 <LOD 0.6 0.5 0.6 3.2 0.4 0.4 0.4
40 9-OH-
Risperidone 2.0 6.1 2.3 3.8 11.8 6.6 1.6 6.2 0.7 0.4
41
Anesthetics
Lidocaine 37.5 102.3 355.7 174.4 13.5 142.0 180.1 145.7 15.3 <LOD
42 Fentanyl <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD
43 Norfentanyl 2.5 0.5 1.9 0.4 1.1 2.6 0.9 1.2 1.7 <LOD
44 Thiopental <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD
45 Ketamine <LOD <LOD 6.1 <LOD <LOD <LOD <LOD <LOD <LOD <LOD
46 Norketamine 6.7 11.9 7.0 <LOD 9.9 8.8 7.8 <LOD <LOD <LOD
47
Antiepileptic
Carbamazepine 6822 94.0 1586 2200 9.7 21.3 772.4 528.9 273.9 171.7
48 Lamotrigine 316.7 469.0 334.0 155.1 388.1 391.4 19.1 107.5 55.0 12.2
49 Topiramate 260.8 155.8 26.9 98.2 815.2 98.8 206.2 322.2 35.0 9.4
50 Levetiracetam 5554 12.3 282.4 93.4 343.1 24.3 5819 35.4 1161 49.2
51 Phenytoin <LOD <LOD <LOD <LOD <LOD 53.0 <LOD 124.6 <LOD <LOD
52 Primidone <LOD 55.5 191.5 168.8 <LOD <LOD 102.3 293.6 <LOD <LOD
53 Valproic acid 1006 232.8 3008 264.3 1571 321.6 366.4 202.8 916.1 790.3
54
TCAs
Amitriptylline 98.2 59.5 95.1 43.8 35.6 11.3 35.3 16.9 30.7 <LOD
55 Nortriptyline 7.0 23.2 6.5 3.6 8.4 1.9 3.9 3.9 4.6 <LOD
56 Clomipramine 2.3 4.3 1.5 2.1 5.3 3.2 6.9 1.9 <LOD <LOD
57 Imipramine <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD
58 Doxepin 564.8 316.0 303.2 93.8 669.9 227.1 574.3 270.4 262.2 50.4
59
TeCAs
Mirtazapine 178.2 57.1 39.6 35.7 50.1 32.4 55.0 43.8 39.2 <LOD
60 8-OH
mirtazapine 91.8 1.9 21.9 1.8 16.5 9.5 4.9 4.2 38.4 1.3
61
SSRIs
Citalopram 540.6 766.2 298.3 407.0 176.3 285.1 323.3 356.6 109.7 19.9
62 Fluoxetine 19.5 16.6 17.4 23.6 0.7 9.3 10.2 14.4 6.9 0.7
63 Paroxetine 9.1 <LOD 17.3 <LOD 3.7 4.4 30.2 <LOD <LOD <LOD
64 Sertraline 19.0 11.9 40.8 12.4 12.7 8.5 31.3 9.7 44.5 0.5
65 Norsertraline 21.6 10.4 12.5 <LOD 24.4 15.2 <LOD 12.2 87.2 14.7
66 SNRIs Venlafaxine 733.0 392.5 330.5 350.0 209.7 327.8 236.0 353.7 231.5 340.1
67 Sympathomimetic
Ephedrine 3249 165.8 6784 319.5 961.8 113.5 1241 41.1 1525 135.5
68 Norephedrine 10.4 <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD <LOD
<LOD: Below limit of detection
Table S5. SRM chromatograms of the compounds in spiked wastewater samples
RT: 0.00 - 65.02
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RT: 15.85AA: 15277445SN: 18717
RT: 2.88AA: 1173026SN: 1044 RT: 11.59
AA: 363726SN: 450
RT: 18.47AA: 78569SN: 129
NL: 5.14E5m/z= 90.70-91.70 F: + c ESI SRM ms2 136.200@cid16.00 [91.000-91.400, 118.800-119.200] MS ICIS XC_SPIK_01_06
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RT: 18.47AA: 18216794SN: 93427
RT: 21.94AA: 46691SN: 536
RT: 8.78AA: 87947SN: 473
NL: 9.38E5m/z= 162.50-163.50 F: + c ESI SRM ms2 194.150@cid20.00 [134.800-135.200, 162.800-163.200] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
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RT: 20.63AA: 18941812SN: 32062
RT: 22.86AA: 123553SN: 228
RT: 15.92AA: 61812SN: 126
RT: 11.33AA: 71226SN: 96
NL: 8.57E5m/z= 162.50-163.50 F: + c ESI SRM ms2 208.170@cid22.00 [134.800-135.200, 162.800-163.200] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
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RT: 16.96AA: 12210202SN: 2214
RT: 15.39AA: 845273SN: 270
NL: 5.48E5m/z= 162.50-163.50 F: + c ESI SRM ms2 180.150@cid17.00 [134.800-135.200, 162.800-163.200] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
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RT: 18.07AA: 16439906SN: 42809
RT: 21.15AA: 172544SN: 517
NL: 6.98E5m/z= 90.70-91.70 F: + c ESI SRM ms2 150.200@cid19.00 [91.000-91.400, 118.900-119.300] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
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RT: 19.94AA: 24952451SN: 38929
NL: 9.74E5m/z= 85.80-86.80 F: + c ESI SRM ms2 235.200@cid32.00 [58.200-58.600, 86.100-86.500] MS ICIS XC_SPIK_01_06
Amphetamine MDMA MDEA
MDA Methamphetamine Lidocaine
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
5
10
15
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RT: 27.74AA: 95254458SN: 70551
NL: 2.94E6m/z= 187.50-188.50 F: + c ESI SRM ms2 337.270@cid34.00 [104.900-105.300, 187.800-188.200] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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RT: 19.42AA: 6026032SN: 109546
NL: 3.56E5m/z= 83.70-84.70 F: + c ESI SRM ms2 233.200@cid17.00 [84.000-84.400, 176.800-177.200] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
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RT: 21.19AA: 20132428SN: 10622
NL: 6.33E5m/z= 124.50-125.50 F: + c ESI SRM ms2 238.100@cid28.00 [124.800-125.200, 206.700-207.100] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
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RT: 19.25AA: 52160302SN: 6518
NL: 2.48E6m/z= 206.40-207.40 F: + c ESI SRM ms2 224.000@cid29.00 [124.800-125.200, 206.700-207.100] MS ICIS XC_SPIK_01_06
RT: 0.00 - 35.01
0 5 10 15 20 25 30 35Time (min)
0
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10
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RT: 12.07AA: 10633SN: 2741
12.722.33 33.9524.713.39 13.968.59 25.5520.2216.24 29.46 31.658.08 10.55 23.72
NL: 1.27E3m/z= 57.80-58.80 F: - c ESI SRM ms2 241.100@cid17.00 [58.100-58.500, 100.600-101.000] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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10
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RT: 32.99AA: 14087881SN: 77222
RT: 35.22AA: 113259SN: 1872
NL: 4.07E5m/z= 85.70-86.70 F: + c ESI SRM ms2 315.200@cid39.00 [58.200-58.600, 86.000-86.400] MS ICIS XC_SPIK_01_06
Fentanyl Norfentanyl Ketamine
Norketamine Thiopental Clomipramine
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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RT: 29.84AA: 19647913SN: 20716
NL: 6.74E5m/z= 232.50-233.50 F: + c ESI SRM ms2 278.300@cid25.00 [190.800-191.200, 232.800-233.200] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
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RT: 29.78AA: 10808198SN: 66698
RT: 25.79AA: 409286SN: 3624 RT: 31.55
AA: 186033SN: 1058
NL: 4.05E5m/z= 85.70-86.70 F: + c ESI SRM ms2 281.200@cid35.00 [58.200-58.600, 86.000-86.400, 233.800-234.200] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
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RT: 21.46AA: 23743292SN: 44510
NL: 8.74E5m/z= 194.50-195.50 F: + c ESI SRM ms2 266.200@cid24.00 [194.800-195.200, 208.800-209.200] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
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RT: 17.80AA: 12422844SN: 221624
NL: 8.62E5m/z= 210.40-211.40 F: + c ESI SRM ms2 282.170@cid26.00 [210.700-211.100, 224.700-225.100] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
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RT: 29.12AA: 29634416SN: 233839
RT: 30.89AA: 209894SN: 1645
NL: 1.45E6m/z= 232.50-233.50 F: + c ESI SRM ms2 264.200@cid31.00 [91.000-91.400, 232.800-233.200] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
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RT: 26.98AA: 5006586SN: 4701
25.80
23.44
28.6818.20 35.09 38.83 44.26 49.04 51.4613.759.43 62.662.88 53.497.33
NL: 3.90E5m/z= 106.60-107.60 F: + c ESI SRM ms2 280.200@cid25.00 [106.900-107.300, 234.800-235.200] MS ICIS XC_SPIK_01_06
Amitriptyline Imipramine Mirtazapine
Nortryptiline Doxepine 8‐OH‐Mirtazapine
RT: 0.00 - 65.01
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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RT: 9.79AA: 9312270SN: 2614
NL: 1.87E5m/z= 125.60-126.60 F: + c ESI SRM ms2 171.200@cid15.00 [125.900-126.300, 153.800-154.200] MS ICIS X_SPIK_01_06
RT: 0.00 - 65.01
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
50000
100000
150000
200000
250000
300000
350000
400000
450000
500000
550000
600000
650000
700000
750000
800000
850000
900000
950000
1000000
1050000
1100000
1150000
1200000
1250000
1300000
1350000
1400000
1450000
Intensi
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RT: 15.75AA: 15380646SN: 14999
NL: 1.49E6m/z= 193.50-194.50 F: + c ESI SRM ms2 237.150@cid30.00 [191.800-192.200, 193.800-194.200] MS ICIS X_SPIK_01_06
RT: 0.00 - 65.01
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
10000
20000
30000
40000
50000
60000
70000
80000
90000
100000
110000
120000
130000
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150000
160000
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Intensi
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RT: 14.27AA: 2537984SN: 30400
NL: 1.82E5m/z= 161.50-162.50 F: + c ESI SRM ms2 219.150@cid29.00 [91.000-91.400, 161.800-162.200] MS ICIS X_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
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RT: 18.93AA: 5207280SN: 51085
NL: 3.67E5m/z= 158.50-159.50 F: + c ESI SRM ms2 256.100@cid29.00 [158.800-159.200, 165.800-166.200] MS ICIS SPIKE_C
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
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RT: 16.63AA: 11203326SN: 396305
RT: 19.54AA: 65587SN: 2462
RT: 17.91AA: 139593SN: 2385
RT: 8.99AA: 47625SN: 1874
RT: 15.82AA: 51554SN: 1809
NL: 1.05E6m/z= 264.50-265.50 F: + c ESI SRM ms2 362.200@cid19.00 [206.700-207.100, 264.800-265.200] MS ICIS SPIKE_C
RT: 0.00 - 35.01
0 5 10 15 20 25 30 35Time (min)
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RT: 10.81AA: 166090SN: 1853
RT: 1.89AA: 470SN: 24
RT: 9.77AA: 411SN: 19
11.248.986.144.39 30.8015.03 19.04 23.88 25.5422.02 32.3228.14
NL: 1.41E4m/z= 207.40-208.40 F: - c ESI SRM ms2 251.100@cid22.00 [102.000-102.400, 207.700-208.100] MS ICIS XC_SPIK_01_06
Levetiracetam
8‐OH‐Mirtazapine
Carbamazepine Primidone
Lamotrigine Topiramate Phenytoin
RT: 0.00 - 35.01
0 5 10 15 20 25 30 35Time (min)
0
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RT: 12.98AA: 717691SN: 280
13.64
4.00
3.87 4.22
3.549.94
12.593.2712.17 14.08
4.9614.999.615.13
9.136.45 15.5228.34 31.8226.7916.52 32.3725.5723.6517.73
22.86
NL: 5.44E4m/z= 142.70-143.70 F: - c ESI SRM ms2 143.200@cid5.00 [143.000-143.400] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
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RT: 36.97AA: 22436790SN: 7164
NL: 1.33E5m/z= 255.40-256.40 F: + c ESI SRM ms2 313.200@cid29.00 [212.700-213.100, 255.700-256.100] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
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RT: 31.60AA: 5707211SN: 62252
NL: 2.01E5m/z= 85.70-86.70 F: + c ESI SRM ms2 319.100@cid20.00 [86.000-86.400, 245.600-246.000] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
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RT: 26.82AA: 29354128SN: 130522
RT: 29.64AA: 263591SN: 1161
NL: 1.17E6m/z= 269.40-270.40 F: + c ESI SRM ms2 327.160@cid39.00 [191.700-192.100, 269.700-270.100] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
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RT: 27.08AA: 11698106SN: 68312
RT: 29.64AA: 69011SN: 780
NL: 4.05E5m/z= 191.40-192.40 F: + c ESI SRM ms2 313.150@cid38.00 [191.700-192.100, 269.700-270.100] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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RT: 28.99AA: 59122582SN: 43823
NL: 1.62E6m/z= 190.50-191.50 F: + c ESI SRM ms2 411.270@cid42.00 [109.900-110.300, 190.800-191.200] MS ICIS XC_SPIK_01_06
Chlorpromazine Olanzapine
Clozapine Norclozapine Risperidone
Valproic Acid
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
5
10
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RT: 23.82AA: 33608111SN: 169275
RT: 17.20AA: 203491SN: 2431
RT: 26.37AA: 202625SN: 1135
NL: 1.51E6m/z= 206.40-207.40 F: + c ESI SRM ms2 427.270@cid39.00 [109.800-110.200, 206.700-207.100] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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RT: 32.32AA: 10165358SN: 53310
NL: 3.69E5m/z= 274.30-275.30 F: + c ESI SRM ms2 306.100@cid26.00 [158.700-159.100, 274.600-275.000] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
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RT: 31.34AA: 2519879SN: 4693
NL: 1.26E5m/z= 274.30-275.30 F: + c ESI SRM ms2 292.100@cid25.00 [158.700-159.100, 274.600-275.000] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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RT: 23.22AA: 14028932SN: 3871
NL: 7.56E5m/z= 259.50-260.50 F: + c ESI SRM ms2 278.250@cid28.00 [120.900-121.300, 259.800-260.200] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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Relati
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RT: 29.26AA: 4394475SN: 43404
RT: 30.31AA: 136094SN: 1313
NL: 2.35E5m/z= 191.50-192.50 F: + c ESI SRM ms2 330.200@cid34.00 [134.800-135.200, 191.800-192.200] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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RT: 30.50AA: 190562SN: 22053
NL: 9.91E3m/z= 44.00-45.00 F: + c ESI SRM ms2 310.200@cid13.00 [44.300-44.700, 91.100-91.500] MS ICIS XC_SPIK_01_06
Sertraline Norsertraline 9‐OH‐Risperidone
Venlafaxine Fluoxetine Paroxetine
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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RT: 29.05AA: 15195183SN: 24036
NL: 5.62E5m/z= 108.60-109.60 F: + c ESI SRM ms2 325.200@cid29.00 [108.900-109.300, 261.700-262.100] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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10
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Relati
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RT: 19.80AA: 6143045SN: 96386
RT: 22.09AA: 163214SN: 1344
NL: 4.29E5m/z= 280.40-281.40 F: + c ESI SRM ms2 309.100@cid38.00 [204.800-205.200, 280.700-281.100] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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10
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RT: 17.57AA: 2493280SN: 51567
NL: 1.86E5m/z= 181.47-182.47 F: + c ESI SRM ms2 316.000@cid31.00 [181.770-182.170, 208.720-209.120] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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RT: 20.91AA: 4957423SN: 46460
NL: 4.06E5m/z= 192.50-193.50 F: + c ESI SRM ms2 285.100@cid27.00 [153.800-154.200, 192.800-193.200] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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RT: 19.99AA: 945152SN: 23923
RT: 14.95AA: 306184SN: 3017
NL: 7.92E4m/z= 139.50-140.50 F: + c ESI SRM ms2 271.100@cid28.00 [139.800-140.200, 164.800-165.200] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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10
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Relati
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RT: 20.00AA: 9276938SN: 71239
RT: 21.70AA: 555719SN: 1699
NL: 9.02E5m/z= 267.40-268.40 F: + c ESI SRM ms2 314.100@cid33.00 [210.700-211.100, 267.700-268.100] MS ICIS XC_SPIK_01_06
Citalopram Alprazolam Bromazepam
Diazepam Nordiazepam Flunitrazepam
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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10
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RT: 16.26AA: 4161805SN: 10901
NL: 3.33E5m/z= 134.60-135.60 F: + c ESI SRM ms2 284.150@cid27.00 [134.900-135.300, 147.800-148.200] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
20000
40000
60000
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100000
120000
140000
160000
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Intensi
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RT: 19.01AA: 6488844SN: 17521
NL: 5.28E5m/z= 240.40-241.40 F: + c ESI SRM ms2 287.100@cid22.00 [240.700-241.100, 268.700-269.100] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
50000
100000
150000
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350000
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Intensi
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RT: 19.21AA: 12461181SN: 67437
NL: 1.03E6m/z= 258.40-259.40 F: + c ESI SRM ms2 301.100@cid32.00 [223.700-224.100, 254.700-255.100, 258.700-259.100, 282.600-283.000] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
20000
40000
60000
80000
100000
120000
140000
160000
180000
200000
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240000
260000
280000
300000
320000
340000
360000
380000
400000
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440000
460000
Intensi
ty
RT: 18.82AA: 5523799SN: 88889
RT: 19.47AA: 93024SN: 1297
NL: 4.62E5m/z= 274.30-275.30 F: + c ESI SRM ms2 321.000@cid23.00 [274.600-275.000, 302.600-303.000] MS ICIS XC_SPIK_01_06
RT: 14.79 - 36.50
16 18 20 22 24 26 28 30 32 34 36Time (min)
0
100000
200000
300000
400000
500000
600000
700000
800000
900000
1000000
1100000
1200000
1300000
1400000
1500000
1600000
1700000
Intensi
ty
RT: 19.53AA: 18853567SN: 56873
NL: 1.72E6m/z= 235.50-236.50 F: + c ESI SRM ms2 282.100@cid24.00 [235.800-236.200, 249.800-250.200] MS ICIS XC_SPIK_01_06
RT: 14.79 - 36.50
16 18 20 22 24 26 28 30 32 34 36Time (min)
0
100000
200000
300000
400000
500000
600000
700000
800000
900000
1000000
1100000
1200000
1300000
1400000
1500000
1600000
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Intensi
ty
RT: 19.67AA: 24873754SN: 84433
RT: 20.71AA: 611511SN: 752
NL: 2.09E6m/z= 254.40-255.40 F: + c ESI SRM ms2 301.100@cid32.00 [223.700-224.100, 254.700-255.100, 258.700-259.100, 282.600-283.000] MS ICIS XC_SPIK_01_06
7‐amine flunitrazepam Oxazepam Clobazam
Lorazepam Nitrazepam Temazepam
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
5
10
15
20
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Relati
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RT: 25.50AA: 27168114SN: 34735
RT: 28.38AA: 258063SN: 648
NL: 7.75E5m/z= 290.40-291.40 F: + c ESI SRM ms2 326.100@cid33.00 [208.700-209.100, 290.700-291.100] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
5
10
15
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100
Relati
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RT: 20.97AA: 8874048SN: 129228
RT: 20.52AA: 58445SN: 1251
NL: 5.12E5m/z= 226.40-227.40 F: + c ESI SRM ms2 300.100@cid25.00 [226.700-227.100, 240.700-241.100] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
50000
100000
150000
200000
250000
300000
350000
400000
450000
500000
550000
600000
650000
700000
750000
800000
850000
900000
950000
1000000
1050000
1100000
Intensi
ty
RT: 22.14AA: 31616845SN: 49550
NL: 1.12E6m/z= 181.50-182.50 F: + c ESI SRM ms2 304.200@cid25.00 [149.800-150.200, 181.800-182.200] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
50000
100000
150000
200000
250000
300000
350000
400000
450000
500000
550000
600000
650000
700000
750000
800000
850000
900000
950000
1000000
1050000
1100000
Intensi
ty
RT: 16.18AA: 15060563SN: 118171
NL: 1.12E6m/z= 167.50-168.50 F: + c ESI SRM ms2 290.200@cid30.00 [104.900-105.300, 167.800-168.200] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
20000
40000
60000
80000
100000
120000
140000
160000
180000
200000
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240000
260000
280000
300000
320000
340000
360000
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420000
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460000
480000
500000
520000
540000
560000
580000
600000
620000
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Intensi
ty
RT: 2.10AA: 9158083SN: 9768
NL: 6.82E5m/z= 181.50-182.50 F: + c ESI SRM ms2 200.150@cid27.00 [82.100-82.500, 181.800-182.200] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
5
10
15
20
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45
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RT: 13.80AA: 2662777SN: 1370
NL: 9.37E4m/z= 147.60-148.60 F: + c ESI SRM ms2 166.200@cid24.00 [114.900-115.300, 147.900-148.300] MS ICIS XC_SPIK_01_06
Midazolam Chlordiazepoxide Cocaine
Benzoylecgonine Ethyl methyl ecgonine Ephedrine
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
5
10
15
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RT: 7.84AA: 19668678SN: 8605
NL: 4.91E5m/z= 133.60-134.60 F: + c ESI SRM ms2 152.200@cid17.00 [116.900-117.300, 133.900-134.300] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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RT: 8.26AA: 2200263SN: 11558
NL: 5.76E4m/z= 200.50-201.50 F: + c ESI SRM ms2 286.200@cid33.00 [164.800-165.200, 200.800-201.200] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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10
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RT: 15.01AA: 2865222SN: 35575
RT: 25.42AA: 86668SN: 1093
RT: 15.79AA: 120557SN: 899
NL: 2.16E5m/z= 164.50-165.50 F: + c ESI SRM ms2 328.200@cid35.00 [164.800-165.200, 210.700-211.100] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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RT: 33.14AA: 84447485SN: 9509
NL: 1.49E6m/z= 264.50-265.50 F: + c ESI SRM ms2 310.200@cid28.00 [104.900-105.300, 264.800-265.200] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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RT: 31.50AA: 54145905SN: 13665
NL: 8.08E5m/z= 233.50-234.50 F: + c ESI SRM ms2 278.200@cid30.00 [233.800-234.200, 248.800-249.200] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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RT: 14.35AA: 2915089SN: 70288
RT: 20.05AA: 50237SN: 2454
NL: 1.82E5m/z= 214.50-215.50 F: + c ESI SRM ms2 300.200@cid39.00 [164.800-165.200, 214.800-215.200] MS ICIS XC_SPIK_01_06
Norephedrine Morphine 6‐MAM
Methadone EDDP Codeine
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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10
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RT: 15.60AA: 11156408SN: 15707
NL: 5.46E5m/z= 297.40-298.40 F: + c ESI SRM ms2 316.200@cid29.00 [240.700-241.100, 297.700-298.100] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.02
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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RT: 26.06AA: 229840SN: 8741
NL: 1.23E4m/z= 186.40-187.40 F: + c ESI SRM ms2 468.400@cid42.00 [186.700-187.100, 210.800-211.200] MS ICIS XC_SPIK_01_06
RT: 0.00 - 65.01
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
0
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10
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Relati
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RT: 24.19MA: 1116051SN: 64
16.14
17.7115.88 18.43
20.46
15.16
14.37
13.6512.34
11.7511.23
10.77
6.19
33.7525.635.9227.332.91
30.02 53.7842.59 55.0339.18 60.0747.43
NL: 7.47E4m/z= 326.50-327.50 F: + c ESI SRM ms2 345.250@cid26.00 [192.800-193.200, 326.800-327.200] MS X_SPIK_01_06
RT: 0.00 - 65.01
0 5 10 15 20 25 30 35 40 45 50 55 60 65Time (min)
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RT: 26.09MA: 424675SN: 9847
24.19
11.35 13.1226.67
15.6818.03
10.8353.525.92 8.74 27.20 46.7132.11 42.91 63.1449.3934.602.78 53.71 60.91
NL: 2.35E4m/z= 122.60-123.60 F: + c ESI SRM ms2 315.300@cid31.00 [122.900-123.300, 192.800-193.200, 258.700-259.100] MS X_SPIK_01_06
RT: 0.00 - 35.01
0 5 10 15 20 25 30 35Time (min)
0
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RT: 8.59AA: 16115SN: 658
8.852.05
2.46 13.648.96
12.86
12.762.92
1.78 9.093.30 26.81 28.04 30.146.46 14.01 21.70 24.76 32.1017.72
NL: 1.31E3m/z= 187.40-188.40 F: - c ESI SRM ms2 231.100@cid18.00 [42.300-42.700, 187.700-188.100] MS ICIS XC_SPIK_01_06
RT: 0.00 - 35.01
0 5 10 15 20 25 30 35Time (min)
0
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RT: 11.27AA: 5777SN: 467
2.01
2.98
3.13
10.886.814.69 17.3511.7610.369.58 12.91 24.60 26.16 30.2319.34 32.2721.27
NL: 7.70E2m/z= 181.60-182.60 F: - c ESI SRM ms2 225.150@cid17.00 [42.400-42.800, 181.900-182.300] MS ICIS XC_SPIK_01_06
Oxycodone Buprenorphine THCA
THC Pentobarbital Phenobarbital