evaluation of variable data independent acquisition (vdia ......target screening of veterinary drugs...
TRANSCRIPT
-
Evaluation of Variable Data Independent Acquisition (vDIA) Approach for Non-target Screening of Veterinary Drugs in Animal Feed Zhe Zhou, Zheng Jiang; Thermo Fisher Scienti� c, Shanghai, China
Po
ster No
te 64
42
6
Full scan m/z 100 - 1000
vDIA m/z 495 – 1000
vDIA m/z 100 - 205
vDIA m/z 195 - 305
vDIA m/z 295 - 405
vDIA m/z 395 - 505
RT(min)
0
100
200
300
400
500
600
700
800
900
1000
0 2 4 6 8 10 12 14 16 18
0
50
100
m/z
Mobile phase
B%
Quadrupole HCD Orbitrap
ddMS2
Quadrupole HCD Orbitrap
vDIA
OrbitrapQuadrupole HCD
AIF
200 400 600 800 1000m/z100 300 500
Full Scan
RT: 4.00 - 7.00
4 5 6 7Time (min)0
50100
050
1000
50100
050
100
Rela
tive
Abun
danc
e
050
1000
50100
050
100 5.65 5.655.685.63
5.65 5.665.635.695.62
5.40 5.415.385.465.35
5.62
5.45 5.455.435.535.40 5.69
5.61 5.625.59
5.655.56
5.66 5.665.65
5.69
5.575.56 5.585.55 5.61
RT: 4.00 - 7.00
4 5 6 7Time (min)0
50100
050
1000
50100
050
100
Rela
tive
Abun
danc
e
050
1000
50100
050
100 5.65
5.65
5.365.50
5.65
5.435.57
5.71
5.66
5.68
RT: 4.00 - 7.00
4 5 6 7Time (min)0
50100
050
1000
50100
050
100
Rela
tive
Abun
danc
e
050
1000
50100
050
100 5.66 5.645.63 5.68
5.695.685.705.73
5.445.43 5.455.39 5.54
5.675.35
5.44 5.455.435.545.40 5.67
5.61 6.39 6.405.60 5.625.58
5.675.665.685.69
5.575.56 5.595.61
386.13043
150 200 250 300 350 400 450 500 550m/z0
20
40
60
80
100
Rela
tive
Abun
danc
e
238.09718
400.14606285.02039366.98318 516.17285256.08987202.12245154.99007
422.26361Brombuterol
2-Amino-5-Benzoyl-Benzimidazole
SulfachloropyridazineAzure A
Sarafloxacin hydrochlorideDifluoxacin hydrochloride
Spiramycin
Parent ions ddMS2 Product ions vDIA Product ions
Full scan
RT:8.023 - 12.469
9 10 11 12Time (min)0
20
40
60
80
1000
20
40
60
80
100 10.14
9.0398.569 9.130 11.3039.903 11.040 11.954
10.12
AIF
vDIA
11.84
O
O
O
OH
OH
187.0754
ZearalenoneXIC Product ion 187.0754
RT:2.250 - 6.787
2.5 3.0 3.5 4.0 4.5 5.0 5.5 6.0 6.5Time (min)
0
20
40
60
80
1000
20
40
60
80
1003.858
4.699
6.396
4.696
AIF
vDIA
RactopamineXIC Product ion 121.0648
NH
OH
OHOH
121.0648
RT:4.432 - 6.887
4.5 5.0 5.5 6.0 6.5Time (min)
0
20
40
60
80
1000
20
40
60
80
1004.924
6.807
5.8985.6455.464 6.3786.0774.643
5.889
SNH
N N
O
N2H
O
O
O
SulfadimethoxineXIC Product ion 156.0114
156.0114
AIF
vDIA
No.
ofa
naly
tes
Sensitivity
2
12
41
71
18
6
0
10
20
30
40
50
60
70
80
-
2 Evaluation of Variable Data Independent Acquisition (vDIA) Approach for Non-target Screening of Veterinary Drugs in Animal Feed
Full scan m/z 100 - 1000
vDIA m/z 495 – 1000
vDIA m/z 100 - 205
vDIA m/z 195 - 305
vDIA m/z 295 - 405
vDIA m/z 395 - 505
RT(min)
0
100
200
300
400
500
600
700
800
900
1000
0 2 4 6 8 10 12 14 16 18
0
50
100
m/z
Mobile phase B
%
Quadrupole HCD Orbitrap
ddMS2
Quadrupole HCD Orbitrap
vDIA
OrbitrapQuadrupole HCD
AIF
200 400 600 800 1000m/z100 300 500
Full Scan
RT: 4.00 - 7.00
4 5 6 7Time (min)0
50100
050
1000
50100
050
100
Rela
tive
Abun
danc
e
050
1000
50100
050
100 5.65 5.655.685.63
5.65 5.665.635.695.62
5.40 5.415.385.465.35
5.62
5.45 5.455.435.535.40 5.69
5.61 5.625.59
5.655.56
5.66 5.665.65
5.69
5.575.56 5.585.55 5.61
RT: 4.00 - 7.00
4 5 6 7Time (min)0
50100
050
1000
50100
050
100
Rela
tive
Abun
danc
e
050
1000
50100
050
100 5.65
5.65
5.365.50
5.65
5.435.57
5.71
5.66
5.68
RT: 4.00 - 7.00
4 5 6 7Time (min)0
50100
050
1000
50100
050
100
Rela
tive
Abun
danc
e
050
1000
50100
050
100 5.66 5.645.63 5.68
5.695.685.705.73
5.445.43 5.455.39 5.54
5.675.35
5.44 5.455.435.545.40 5.67
5.61 6.39 6.405.60 5.625.58
5.675.665.685.69
5.575.56 5.595.61
386.13043
150 200 250 300 350 400 450 500 550m/z0
20
40
60
80
100
Rela
tive
Abun
danc
e
238.09718
400.14606285.02039366.98318 516.17285256.08987202.12245154.99007
422.26361Brombuterol
2-Amino-5-Benzoyl-Benzimidazole
SulfachloropyridazineAzure A
Sarafloxacin hydrochlorideDifluoxacin hydrochloride
Spiramycin
Parent ions ddMS2 Product ions vDIA Product ions
Full scan
RT:8.023 - 12.469
9 10 11 12Time (min)0
20
40
60
80
1000
20
40
60
80
100 10.14
9.0398.569 9.130 11.3039.903 11.040 11.954
10.12
AIF
vDIA
11.84
O
O
O
OH
OH
187.0754
ZearalenoneXIC Product ion 187.0754
RT:2.250 - 6.787
2.5 3.0 3.5 4.0 4.5 5.0 5.5 6.0 6.5Time (min)
0
20
40
60
80
1000
20
40
60
80
1003.858
4.699
6.396
4.696
AIF
vDIA
RactopamineXIC Product ion 121.0648
NH
OH
OHOH
121.0648
RT:4.432 - 6.887
4.5 5.0 5.5 6.0 6.5Time (min)
0
20
40
60
80
1000
20
40
60
80
1004.924
6.807
5.8985.6455.464 6.3786.0774.643
5.889
SNH
N N
O
N2H
O
O
O
SulfadimethoxineXIC Product ion 156.0114
156.0114
AIF
vDIA
No.
of a
naly
tes
Sensitivity
2
12
41
71
18
6
0
10
20
30
40
50
60
70
80
-
PN64426-EN 08/16S
Full scan m/z 100 - 1000
vDIA m/z 495 – 1000
vDIA m/z 100 - 205
vDIA m/z 195 - 305
vDIA m/z 295 - 405
vDIA m/z 395 - 505
RT(min)
0
100
200
300
400
500
600
700
800
900
1000
0 2 4 6 8 10 12 14 16 18
0
50
100
m/z
Mobile phase
B%
Quadrupole HCD Orbitrap
ddMS2
Quadrupole HCD Orbitrap
vDIA
OrbitrapQuadrupole HCD
AIF
200 400 600 800 1000m/z100 300 500
Full Scan
RT: 4.00 - 7.00
4 5 6 7Time (min)0
50100
050
1000
50100
050
100
Rela
tive
Abun
danc
e
050
1000
50100
050
100 5.65 5.655.685.63
5.65 5.665.635.695.62
5.40 5.415.385.465.35
5.62
5.45 5.455.435.535.40 5.69
5.61 5.625.59
5.655.56
5.66 5.665.65
5.69
5.575.56 5.585.55 5.61
RT: 4.00 - 7.00
4 5 6 7Time (min)0
50100
050
1000
50100
050
100
Rela
tive
Abun
danc
e
050
1000
50100
050
100 5.65
5.65
5.365.50
5.65
5.435.57
5.71
5.66
5.68
RT: 4.00 - 7.00
4 5 6 7Time (min)0
50100
050
1000
50100
050
100
Rela
tive
Abun
danc
e
050
1000
50100
050
100 5.66 5.645.63 5.68
5.695.685.705.73
5.445.43 5.455.39 5.54
5.675.35
5.44 5.455.435.545.40 5.67
5.61 6.39 6.405.60 5.625.58
5.675.665.685.69
5.575.56 5.595.61
386.13043
150 200 250 300 350 400 450 500 550m/z0
20
40
60
80
100
Rela
tive
Abun
danc
e
238.09718
400.14606285.02039366.98318 516.17285256.08987202.12245154.99007
422.26361Brombuterol
2-Amino-5-Benzoyl-Benzimidazole
SulfachloropyridazineAzure A
Sarafloxacin hydrochlorideDifluoxacin hydrochloride
Spiramycin
Parent ions ddMS2 Product ions vDIA Product ions
Full scan
RT:8.023 - 12.469
9 10 11 12Time (min)0
20
40
60
80
1000
20
40
60
80
100 10.14
9.0398.569 9.130 11.3039.903 11.040 11.954
10.12
AIF
vDIA
11.84
O
O
O
OH
OH
187.0754
ZearalenoneXIC Product ion 187.0754
RT:2.250 - 6.787
2.5 3.0 3.5 4.0 4.5 5.0 5.5 6.0 6.5Time (min)
0
20
40
60
80
1000
20
40
60
80
1003.858
4.699
6.396
4.696
AIF
vDIA
RactopamineXIC Product ion 121.0648
NH
OH
OHOH
121.0648
RT:4.432 - 6.887
4.5 5.0 5.5 6.0 6.5Time (min)
0
20
40
60
80
1000
20
40
60
80
1004.924
6.807
5.8985.6455.464 6.3786.0774.643
5.889
SNH
N N
O
N2H
O
O
O
SulfadimethoxineXIC Product ion 156.0114
156.0114
AIF
vDIA
No.
of a
naly
tes
Sensitivity
2
12
41
71
18
6
0
10
20
30
40
50
60
70
80