13623-qa serial 1054316.m quant title : 8270 split qlast ... · #9 methyl methanesulfonate concen:...
TRANSCRIPT
Quantitation Report (QT Reviewed)
Data Path : C:\MSDCHEM\1\DATA\11112011\ Data File : 11112011_10.D Acq On : 11 Nov 2011 6:06 pm Operator : cmr Sample : 8270 w AP9 ICAL 120 ug/mL Misc : 13623-qa serial 1054316 ALS Vial : 84 Sample Multiplier: 1
Quant Time: Dec 07 17:08:26 2011 Quant Method : C:\MSDCHEM\1\METHODS\13623-qa serial 1054316.M Quant Title : 8270 split QLast Update : Wed Dec 07 16:58:03 2011 Response via : Initial Calibration
3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00 15.00 16.00 17.00 18.00 19.000
2000000
4000000
6000000
8000000
1e+07
1.2e+07
1.4e+07
1.6e+07
1.8e+07
2e+07
2.2e+07
2.4e+07
2.6e+07
2.8e+07
3e+07
3.2e+07
3.4e+07
3.6e+07
3.8e+07
4e+07
Time-->
Abundance TIC: 11112011_10.D\data.ms
13623-qa serial 1054316.M Wed Dec 14 17:52:14 2011 Page: 4
#21,4-DioxaneConcen: 188.58 ug/mL RT: 2.583 min Scan# 36Delta R.T. 0.009 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 88 Resp:45242712Ion Ratio Lower Upper 88 100 58 89.7 0.0 0.0# 56 0.3 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 2600
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m/z-->
Abundance Scan 36 (2.582 min): 11112011_10.D\data.ms88.158.1
121.9 157.2 225.0249.9 275.8
40 60 80 100 120 140 160 180 200 220 240 2600
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m/z-->
Abundance Scan 36 (2.582 min): 11112011_10.D\data.ms (-1) (-)88.058.0
238.9 275.8112.8 138.8 178.8
2.50 2.60 2.70
0
1000000
2000000
3000000
Time-->
Abundance 2.579
#4N-NitrosodimethylamineConcen: 150.07 ng mRT: 2.849 min Scan# 122Delta R.T. 0.018 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 74 Resp:40713662Ion Ratio Lower Upper 74 100 42 90.3 0.0 0.0# 43 39.9 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
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m/z-->
Abundance Scan 122 (2.849 min): 11112011_10.D\data.ms79.142.1
118.9 149.1 206.8 249.9 280.7
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
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m/z-->
Abundance Scan 122 (2.849 min): 11112011_10.D\data.ms (-68) (-)79.142.0
107.8133.0 202.1 249.9 280.6
2.80 3.00
0
500000
1000000
1500000
2000000
Time-->
Abundance 2.849
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:14 2011 Page 5
#5PyridineConcen: 148.74 ng mRT: 2.840 min Scan# 119Delta R.T. 0.005 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 79 Resp:69712409Ion Ratio Lower Upper 79 100 52 84.5 0.0 0.0# 51 41.0 0.0 0.0# 78 11.6 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 2600
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m/z-->
Abundance Scan 119 (2.840 min): 11112011_10.D\data.ms79.152.1
120.2 180.0 223.0 249.8 276.1
40 60 80 100 120 140 160 180 200 220 240 2600
20
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m/z-->
Abundance Scan 119 (2.840 min): 11112011_10.D\data.ms (-69) (-)79.052.0
276.1249.8102.9 129.8 180.0 206.8
2.80 3.00 3.20
0
1000000
2000000
3000000
4000000
Time-->
Abundance 2.853
#6Ethyl methacrylateConcen: 151.24 ng RT: 3.149 min Scan# 218Delta R.T. 0.006 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 69 Resp:50407732Ion Ratio Lower Upper 69 100 41 99.2 0.0 0.0# 86 16.4 0.0 0.0#114 4.0 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
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m/z-->
Abundance Scan 218 (3.148 min): 11112011_10.D\data.ms69.141.1
99.1
125.9 195.9221.1 250.1 280.8169.0
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
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m/z-->
Abundance Scan 218 (3.148 min): 11112011_10.D\data.ms (-168) (-)69.041.1
99.1
132.0 195.9 228.0252.8 280.8169.0
3.10 3.20 3.30
0
1000000
2000000
3000000
4000000
Time-->
Abundance 3.148
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:14 2011 Page 6
#72-picolineConcen: 146.44 ng mRT: 3.384 min Scan# 294Delta R.T. 0.000 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 93 Resp:67654861Ion Ratio Lower Upper 93 100 66 42.0 0.0 0.0# 39 23.1 0.0 0.0# 51 19.2 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 2600
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m/z-->
Abundance Scan 294 (3.384 min): 11112011_10.D\data.ms93.1
66.1
39.1
117.0 165.7 228.0252.0275.8
40 60 80 100 120 140 160 180 200 220 240 2600
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80
m/z-->
Abundance Scan 294 (3.384 min): 11112011_10.D\data.ms (-246) (-)93.1
66.1
39.1
132.9 163.7 206.9 252.0275.8
3.20 3.40 3.60 3.80
0
1000000
2000000
3000000
Time-->
Abundance 3.412
#8N-nitrosomethylethylamineConcen: 166.29 ng mRT: 3.483 min Scan# 326Delta R.T. 0.013 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 42 Resp:39916151Ion Ratio Lower Upper 42 100 88 68.1 0.0 0.0# 43 65.6 0.0 0.0# 30 0.0 0.0 0.0
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
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m/z-->
Abundance Scan 326 (3.483 min): 11112011_10.D\data.ms42.1
88.1
132.9 163.7 206.9 273.9
40 60 80 100 120 140 160 180 200 220 240 260 2800
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m/z-->
Abundance Scan 326 (3.483 min): 11112011_10.D\data.ms (-274) (-)42.0
88.1
113.0 147.0 206.8 273.9
3.40 3.60 3.80
0
500000
1000000
Time-->
Abundance 3.484
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:15 2011 Page 7
#9Methyl methanesulfonateConcen: 147.08 ng mRT: 3.710 min Scan# 399Delta R.T. 0.013 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 80 Resp:26932230Ion Ratio Lower Upper 80 100 79 79.2 0.0 0.0# 65 28.6 0.0 0.0# 95 14.3 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 2400
20
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m/z-->
Abundance Scan 399 (3.710 min): 11112011_10.D\data.ms80.0
45.0
109.0138.8 239.9168.8 206.9
40 60 80 100 120 140 160 180 200 220 2400
20
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m/z-->
Abundance Scan 399 (3.710 min): 11112011_10.D\data.ms (-347) (-)80.0
45.0
109.0132.9 168.8 206.9 239.9
3.60 3.80 4.00
0
200000
400000
600000
800000
Time-->
Abundance 3.727
#11N-nitrosodiethylamineConcen: 136.26 ng mRT: 4.021 min Scan# 499Delta R.T. 0.010 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:102 Resp:26617403Ion Ratio Lower Upper102 100 44 94.6 0.0 0.0# 42 102.2 0.0 0.0# 56 57.1 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
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m/z-->
Abundance Scan 499 (4.021 min): 11112011_10.D\data.ms42.1 102.1
71.1 126.6151.0 206.8 252.1277.0
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
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m/z-->
Abundance Scan 499 (4.021 min): 11112011_10.D\data.ms (-448) (-)42.0 102.1
70.0 126.6151.0 206.8 238.8 277.0
3.90 4.00 4.10 4.20 4.30
0
200000
400000
600000
800000
Time-->
Abundance 4.035
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:15 2011 Page 8
#12Ethyl methanesulfonateConcen: 129.84 ng RT: 4.280 min Scan# 582Delta R.T. 0.031 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 79 Resp:41038130Ion Ratio Lower Upper 79 100109 64.2 0.0 0.0# 97 22.5 0.0 0.0# 80 12.2 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
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m/z-->
Abundance Scan 582 (4.279 min): 11112011_10.D\data.ms79.0
109.0
45.1
135.0 174.9 206.7 280.8
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
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m/z-->
Abundance Scan 582 (4.279 min): 11112011_10.D\data.ms (-524) (-)79.0
109.0
45.0
134.9 164.8 206.7 281.1
4.20 4.30 4.40
0
200000
400000
600000
800000
Time-->
Abundance 4.277
#13BenzaldehydeConcen: 38.41 ng mRT: 4.528 min Scan# 662Delta R.T. 0.006 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 77 Resp: 5286991Ion Ratio Lower Upper 77 100105 104.2 0.0 0.0#106 100.2 0.0 0.0# 51 47.3 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
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m/z-->
Abundance Scan 662 (4.528 min): 11112011_10.D\data.ms105.077.1
51.1
169.1 203.2 252.0 280.8
40 60 80 100 120 140 160 180 200 220 240 260 2800
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m/z-->
Abundance Scan 662 (4.528 min): 11112011_10.D\data.ms (-612) (-)105.077.1
51.0
152.0 185.8 227.9 253.8 281.9
4.45 4.50 4.55 4.60
0
100000
200000
300000
Time-->
Abundance 4.530
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:15 2011 Page 9
#15PhenolConcen: 137.29 ng RT: 4.606 min Scan# 687Delta R.T. 0.028 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 94 Resp:75697366Ion Ratio Lower Upper 94 100 66 0.0 0.0 0.0 65 0.0 0.0 0.0 39 15.3 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 2600
20
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m/z-->
Abundance Scan 687 (4.605 min): 11112011_10.D\data.ms94.1
66.1
39.1
120.7 153.8 206.9 250.1 275.8
40 60 80 100 120 140 160 180 200 220 240 2600
20
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m/z-->
Abundance Scan 687 (4.605 min): 11112011_10.D\data.ms (-630) (-)94.1
66.1
39.0
120.7 146.9 206.8 250.1 275.8
4.50 4.60 4.70
0
500000
1000000
1500000
2000000
2500000
Time-->
Abundance 4.616
#16AnilineConcen: 114.41 ng RT: 4.636 min Scan# 697Delta R.T. 0.018 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 93 Resp:76022799Ion Ratio Lower Upper 93 100 66 72.4 0.0 0.0# 65 43.4 0.0 0.0# 92 13.3 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
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m/z-->
Abundance Scan 697 (4.636 min): 11112011_10.D\data.ms93.1
66.1
39.1
118.9 166.9 199.7 227.9252.9 279.1
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
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m/z-->
Abundance Scan 697 (4.636 min): 11112011_10.D\data.ms (-643) (-)93.0
66.0
39.0
118.9 166.9 199.7 227.9 255.9280.1
4.55 4.60 4.65
0
1000000
2000000
3000000
Time-->
Abundance 4.632
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:15 2011 Page 10
#17Bis(2-chloroethyl)etherConcen: 134.88 ng RT: 4.679 min Scan# 711Delta R.T. 0.020 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 93 Resp:56863090Ion Ratio Lower Upper 93 100 63 86.9 0.0 0.0# 94 0.0 0.0 0.0 64 2.3 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
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m/z-->
Abundance Scan 711 (4.680 min): 11112011_10.D\data.ms93.1
63.0
118.9 164.937.0 191.0 227.9253.2 280.8
40 60 80 100 120 140 160 180 200 220 240 260 2800
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m/z-->
Abundance Scan 711 (4.680 min): 11112011_10.D\data.ms (-656) (-)93.1
63.0
166.9118.836.0 198.5 252.0 280.8
4.65 4.70
0
1000000
2000000
3000000
Time-->
Abundance 4.672
#18PentachloroethaneConcen: 118.36 ng RT: 4.656 min Scan# 703Delta R.T. 0.006 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:117 Resp:17092645Ion Ratio Lower Upper117 100119 97.2 0.0 0.0#167 113.5 0.0 0.0#165 90.2 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
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m/z-->
Abundance Scan 703 (4.655 min): 11112011_10.D\data.ms93.1
166.9
118.9
63.0
38.1255.7281.0198.6 228.0
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 703 (4.655 min): 11112011_10.D\data.ms (-653) (-)93.1
166.9
118.8
63.0
38.1198.6 239.9 281.0
4.60 4.65 4.70 4.75
0
500000
1000000
Time-->
Abundance
4.656
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:16 2011 Page 11
#192-chlorophenolConcen: 125.14 ng RT: 4.744 min Scan# 732Delta R.T. 0.023 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:128 Resp:59703961Ion Ratio Lower Upper128 100 64 45.6 0.0 0.0#130 32.1 0.0 0.0# 92 13.5 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 2400
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m/z-->
Abundance Scan 732 (4.745 min): 11112011_10.D\data.ms128.0
64.1
92.039.1
150.9 192.8 227.9250.0
40 60 80 100 120 140 160 180 200 220 2400
20
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m/z-->
Abundance Scan 732 (4.745 min): 11112011_10.D\data.ms (-676) (-)128.0
64.0
92.039.1
149.7 207.2 238.9
4.65 4.70 4.75 4.80 4.85
0
1000000
2000000
3000000
Time-->
Abundance 4.738
#201,3-dichlorobenzeneConcen: 119.84 ng RT: 4.858 min Scan# 768Delta R.T. 0.009 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:146 Resp:61242118Ion Ratio Lower Upper146 100148 62.9 0.0 0.0#111 40.5 0.0 0.0# 75 26.9 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
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m/z-->
Abundance Scan 768 (4.857 min): 11112011_10.D\data.ms146.0
111.0
75.1
50.1
171.1 221.9 249.8 280.9
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
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m/z-->
Abundance Scan 768 (4.857 min): 11112011_10.D\data.ms (-717) (-)145.9
111.0
75.0
50.0
171.1 221.9 249.8 275.6
4.80 4.85 4.90
0
1000000
2000000
3000000
4000000
5000000
Time-->
Abundance
4.855
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:16 2011 Page 12
#211,4-DichlorobenzeneConcen: 117.44 ng RT: 4.920 min Scan# 788Delta R.T. 0.010 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:146 Resp:60664261Ion Ratio Lower Upper146 100148 63.0 0.0 0.0#111 39.4 0.0 0.0# 75 29.2 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
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m/z-->
Abundance Scan 788 (4.919 min): 11112011_10.D\data.ms146.0
111.0
75.1
50.1
185.8 221.7 252.8 281.0
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
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m/z-->
Abundance Scan 788 (4.919 min): 11112011_10.D\data.ms (-737) (-)146.0
111.0
75.0
50.1
187.8 252.1 281.0221.7
4.85 4.90 4.95 5.00
0
1000000
2000000
3000000
4000000
5000000
Time-->
Abundance 4.916
#22Benzyl AlcoholConcen: 130.01 ng mRT: 5.050 min Scan# 830Delta R.T. 0.030 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 79 Resp:45195170Ion Ratio Lower Upper 79 100108 40.4 0.0 0.0#107 26.9 0.0 0.0# 77 36.1 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 2600
20
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60
80
m/z-->
Abundance Scan 830 (5.050 min): 11112011_10.D\data.ms146.0
111.079.1
50.1
185.9 251.9276.0222.0
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 830 (5.050 min): 11112011_10.D\data.ms (-772) (-)146.0
79.0111.0
50.0
185.9 251.9276.0222.0
4.90 4.95 5.00 5.05 5.10
0
500000
1000000
Time-->
Abundance
5.046
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:16 2011 Page 13
#231,2-DichlorobenzeneConcen: 114.97 ng RT: 5.059 min Scan# 833Delta R.T. 0.010 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:146 Resp:55624080Ion Ratio Lower Upper146 100148 62.9 0.0 0.0#111 58.1 0.0 0.0# 75 45.3 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 2400
20
40
60
80
m/z-->
Abundance Scan 833 (5.059 min): 11112011_10.D\data.ms146.0
111.0
75.1
50.1
168.9 194.1 247.5
40 60 80 100 120 140 160 180 200 220 2400
20
40
60
80
m/z-->
Abundance Scan 833 (5.059 min): 11112011_10.D\data.ms (-782) (-)146.0
111.0
79.1
50.0
168.9 194.1 247.5
5.00 5.05 5.10 5.15
0
1000000
2000000
3000000
4000000
Time-->
Abundance 5.055
#242-MethylphenolConcen: 125.09 ng RT: 5.152 min Scan# 863Delta R.T. 0.039 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:108 Resp:50379009Ion Ratio Lower Upper108 100107 95.1 89.3 133.9 79 49.5 0.0 0.0# 90 23.7 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 863 (5.152 min): 11112011_10.D\data.ms45.1
108.1
77.1
132.8157.9 207.8 252.0276.0
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 863 (5.152 min): 11112011_10.D\data.ms (-802) (-)45.0
108.1
77.0
134.9158.7 229.0 255.8
5.05 5.10 5.15 5.20 5.25
0
500000
1000000
Time-->
Abundance 5.143
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:16 2011 Page 14
#25Bis(2-chloroisopropyl)etherConcen: 115.39 ng RT: 5.140 min Scan# 859Delta R.T. 0.012 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 45 Resp:74370371Ion Ratio Lower Upper 45 100121 18.4 0.0 0.0# 77 34.6 0.0 0.0# 79 27.3 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 859 (5.140 min): 11112011_10.D\data.ms45.1
108.177.1
140.8171.8 206.8239.1 355.7
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 859 (5.140 min): 11112011_10.D\data.ms (-807) (-)45.0
108.1
76.0 145.7178.1 220.9 355.7
5.05 5.10 5.15 5.20 5.25
0
1000000
2000000
3000000
Time-->
Abundance 5.141
#264-Methylphenol/3-MethylphenolConcen: 194.60 ng RT: 5.320 min Scan# 917Delta R.T. 0.054 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:107 Resp:99746776Ion Ratio Lower Upper107 100108 46.1 0.0 0.0# 77 0.0 0.0 0.0 79 22.1 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 917 (5.320 min): 11112011_10.D\data.ms107.1
77.1
41.1
133.2 165.1 197.0 252.1 280.9
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 917 (5.320 min): 11112011_10.D\data.ms (-851) (-)107.1
77.142.1
133.2 165.9 193.1 252.1 280.9
5.20 5.30 5.40
0
1000000
2000000
3000000
4000000
Time-->
Abundance 5.311
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:17 2011 Page 15
#27AcetophenoneConcen: 120.46 ng RT: 5.293 min Scan# 908Delta R.T. 0.030 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:105 Resp:68820126Ion Ratio Lower Upper105 100 77 114.3 0.0 0.0# 51 46.7 0.0 0.0#120 22.8 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 908 (5.292 min): 11112011_10.D\data.ms105.177.1
43.1
130.1155.0 193.0 226.0 251.9
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 908 (5.292 min): 11112011_10.D\data.ms (-850) (-)105.1
77.1
43.1
130.1163.1 193.0 227.9 256.1
5.15 5.20 5.25 5.30 5.35
0
500000
1000000
1500000
2000000
2500000
Time-->
Abundance 5.283
#28N-nitroso-di-n-propylamineConcen: 115.04 ng RT: 5.306 min Scan# 913Delta R.T. 0.035 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 70 Resp:34605326Ion Ratio Lower Upper 70 100130 22.2 0.0 0.0# 58 19.1 0.0 0.0# 71 16.0 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 913 (5.308 min): 11112011_10.D\data.ms107.1
77.143.1
280.9132.1 164.8 199.8 227.8252.0
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 913 (5.308 min): 11112011_10.D\data.ms (-853) (-)107.1
70.143.1
132.1 159.8 192.9 229.9 267.9
5.20 5.30 5.40
0
500000
1000000
Time-->
Abundance 5.302
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:17 2011 Page 16
#29NitrosopyrrolydineConcen: 122.61 ng mRT: 5.342 min Scan# 924Delta R.T. 0.072 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:100 Resp:25167711Ion Ratio Lower Upper100 100 41 0.0 0.0 0.0 42 0.0 0.0 0.0 68 0.4 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 924 (5.342 min): 11112011_10.D\data.ms100.141.1
68.1200.9
165.9128.9 227.8252.0 281.1
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 924 (5.342 min): 11112011_10.D\data.ms (-852) (-)100.1
42.1
68.1 200.9165.9
128.8 249.7274.1
5.20 5.30 5.40
0
500000
1000000
1500000
Time-->
Abundance
5.320
#304-NitrosomorpholineConcen: 112.55 ng mRT: 5.330 min Scan# 920Delta R.T. 0.043 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 56 Resp:29825202Ion Ratio Lower Upper 56 100 86 0.0 0.0 0.0 116 1.0 0.0 0.0#
Raw
Sub
50 100 150 200 250 3000
20
40
60
80
m/z-->
Abundance Scan 920 (5.330 min): 11112011_10.D\data.ms107.1
56.1
210.8 251.9281.1 326.9136.8165.8
50 100 150 200 250 3000
20
40
60
80
m/z-->
Abundance Scan 920 (5.330 min): 11112011_10.D\data.ms (-858) (-)106.1
56.1
139.9168.8198.0227.2 265.0 326.9
5.20 5.30 5.40
0
200000
400000
600000
800000
1000000
Time-->
Abundance 5.320
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:17 2011 Page 17
#31o-ToluidineConcen: 180.08 ng RT: 5.320 min Scan# 917Delta R.T. 0.040 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:107 Resp:99748257Ion Ratio Lower Upper107 100106 77.2 0.0 0.0# 77 0.0 0.0 0.0 79 22.1 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 917 (5.320 min): 11112011_10.D\data.ms107.1
77.1
41.1
133.2 165.1 197.0 252.1 280.9
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 917 (5.320 min): 11112011_10.D\data.ms (-856) (-)107.1
56.0
81.0 133.2 165.9 193.1 252.0 280.9
5.20 5.30 5.40
0
1000000
2000000
3000000
4000000
Time-->
Abundance 5.311
#32HexachloroethaneConcen: 125.77 ng RT: 5.363 min Scan# 931Delta R.T. 0.008 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:117 Resp:22889284Ion Ratio Lower Upper117 100119 95.1 0.0 0.0#201 95.7 0.0 0.0#166 47.1 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 931 (5.364 min): 11112011_10.D\data.ms200.9116.9
165.9
47.0 82.0
252.0276.0142.0 227.9
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 931 (5.364 min): 11112011_10.D\data.ms (-880) (-)200.9116.9
165.9
47.0 82.0
266.9142.0 227.8
5.20 5.30 5.40
0
500000
1000000
1500000
Time-->
Abundance 5.359
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:17 2011 Page 18
#34NitrobenzeneConcen: 128.20 ng RT: 5.444 min Scan# 957Delta R.T. 0.025 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 77 Resp:55382351Ion Ratio Lower Upper 77 100123 52.2 0.0 0.0# 51 58.0 0.0 0.0# 93 11.4 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 957 (5.445 min): 11112011_10.D\data.ms77.1
51.1123.1
150.9 179.9 206.9 250.0 276.0
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 957 (5.445 min): 11112011_10.D\data.ms (-901) (-)77.1 123.1
51.1
223.7 250.0 276.0150.9 178.9
5.35 5.40 5.45 5.50
0
1000000
2000000
3000000
Time-->
Abundance 5.435
#35N-nitrosopiperidineConcen: 128.27 ng mRT: 5.600 min Scan# 1007Delta R.T. 0.040 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 42 Resp:37735765Ion Ratio Lower Upper 42 100114 72.0 0.0 0.0# 55 53.5 0.0 0.0# 56 25.8 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1007 (5.600 min): 11112011_10.D\data.ms42.1
114.1
84.1149.1 193.0 227.9 275.7
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1007 (5.600 min): 11112011_10.D\data.ms (-946) (-)42.1
114.1
84.1149.0 193.0 275.6
5.50 5.55 5.60 5.65
0
500000
1000000
1500000
Time-->
Abundance 5.588
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:18 2011 Page 19
#36IsophoroneConcen: 127.35 ng mRT: 5.671 min Scan# 1030Delta R.T. 0.032 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 82 Resp:101038817Ion Ratio Lower Upper 82 100138 11.8 0.0 0.0# 54 9.9 0.0 0.0# 95 3.8 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 2400
20
40
60
80
m/z-->
Abundance Scan 1030 (5.671 min): 11112011_10.D\data.ms82.1
138.139.1
110.1 188.7 225.9 248.8
40 60 80 100 120 140 160 180 200 220 2400
20
40
60
80
m/z-->
Abundance Scan 1030 (5.671 min): 11112011_10.D\data.ms (-972) (-)82.1
138.139.0
110.1 190.8 238.9
5.60 5.70 5.80
0
1000000
2000000
3000000
Time-->
Abundance 5.680
#372-NitrophenolConcen: 136.77 ng RT: 5.729 min Scan# 1049Delta R.T. 0.021 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:139 Resp:33018173Ion Ratio Lower Upper139 100 65 46.2 0.0 0.0# 39 61.6 0.0 0.0#109 21.5 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1049 (5.730 min): 11112011_10.D\data.ms139.0
65.139.1
109.0
278.1166.8191.7 224.0 250.7
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1049 (5.730 min): 11112011_10.D\data.ms (-994) (-)139.0
65.039.1
109.0
166.8191.7 224.0 252.1 278.1
5.65 5.70 5.75 5.80
0
500000
1000000
1500000
2000000
Time-->
Abundance 5.721
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:18 2011 Page 20
#382,4-DimethylphenolConcen: 121.87 ng RT: 5.777 min Scan# 1064Delta R.T. 0.035 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:122 Resp:49191853Ion Ratio Lower Upper122 100107 107.2 0.0 0.0#121 56.8 0.0 0.0# 77 29.1 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1064 (5.777 min): 11112011_10.D\data.ms107.1
77.1
39.1
134.0 165.0 196.1 224.1 251.9 279.1
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1064 (5.777 min): 11112011_10.D\data.ms (-1005) (-)107.1
77.0
51.1
134.9 165.0 196.1 224.1 276.8
5.65 5.70 5.75 5.80
0
1000000
2000000
3000000
Time-->
Abundance
5.766
#39Benzoic AcidConcen: 169.89 ng mRT: 6.013 min Scan# 1140Delta R.T. 0.113 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:122 Resp:40943761Ion Ratio Lower Upper122 100105 38.6 0.0 0.0# 77 25.2 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1140 (6.013 min): 11112011_10.D\data.ms180.0
105.1 145.074.1
50.1
207.0 249.9 278.9
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1140 (6.013 min): 11112011_10.D\data.ms (-1055) (-)180.0
105.1 145.074.0
50.1
225.9 252.9 278.9
5.80 6.00 6.20
0
1000000
2000000
3000000
Time-->
Abundance
5.953
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:18 2011 Page 21
#40Bis(2-chloroethoxy)methaneConcen: 119.87 ng RT: 5.848 min Scan# 1087Delta R.T. 0.023 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 93 Resp:60418616Ion Ratio Lower Upper 93 100 63 74.4 0.0 0.0# 95 31.9 0.0 0.0#171 1.2 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 280 3000
20
40
60
80
m/z-->
Abundance Scan 1087 (5.849 min): 11112011_10.D\data.ms93.1
63.0
123.0
171.036.0 264.1 300.0201.9227.9
40 60 80 100 120 140 160 180 200 220 240 260 280 3000
20
40
60
80
m/z-->
Abundance Scan 1087 (5.849 min): 11112011_10.D\data.ms (-1031) (-)93.1
63.0
123.0
171.0 201.9 251.0 281.137.0
5.75 5.80 5.85 5.90
0
1000000
2000000
3000000
4000000
Time-->
Abundance 5.839
#412,4-DichlorophenolConcen: 123.43 ng RT: 5.964 min Scan# 1124Delta R.T. 0.028 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:162 Resp:45032441Ion Ratio Lower Upper162 100164 64.0 0.0 0.0# 63 54.4 0.0 0.0# 98 34.3 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1124 (5.964 min): 11112011_10.D\data.ms162.0
63.1
98.0
126.037.1
193.2 220.1 249.9 279.0
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1124 (5.964 min): 11112011_10.D\data.ms (-1067) (-)162.0
63.0
98.0
126.037.0
251.9 292.8193.2 220.1
5.85 5.90 5.95 6.00
0
1000000
2000000
3000000
Time-->
Abundance 5.958
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:18 2011 Page 22
#42a,a-DimethylphenylamineConcen: 145.94 ng mRT: 7.023 min Scan# 1465Delta R.T. 0.981 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 58 Resp:161769439Ion Ratio Lower Upper 58 100 91 1.6 0.0 0.0#134 0.0 0.0 0.0# 65 0.0 0.0 0.0
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1465 (7.023 min): 11112011_10.D\data.ms58.1
195.9
97.0131.9
159.9228.1252.8 282.1
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1465 (7.023 min): 11112011_10.D\data.ms (-1101) (-)58.1
195.9
97.0131.9
159.9251.8 282.1
5.00 6.00 7.00 8.00
0
500000
1000000
1500000
Time-->
Abundance
6.642
#431,2,4-TrichlorobenzeneConcen: 120.73 ng RT: 6.027 min Scan# 1144Delta R.T. 0.015 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:180 Resp:52019972Ion Ratio Lower Upper180 100182 93.2 0.0 0.0#145 30.5 0.0 0.0#149 3.1 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1144 (6.026 min): 11112011_10.D\data.ms180.0
145.074.1 109.0
50.1
206.0229.9254.0278.0
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1144 (6.026 min): 11112011_10.D\data.ms (-1091) (-)180.0
145.074.0 109.0
50.0225.8250.9 278.0
5.95 6.00 6.05 6.10
0
1000000
2000000
3000000
Time-->
Abundance 6.020
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:19 2011 Page 23
#45NaphthaleneConcen: 96.10 ng RT: 6.107 min Scan# 1170Delta R.T. 0.017 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:128 Resp:136746127Ion Ratio Lower Upper128 100129 12.3 0.0 0.0#102 9.4 0.0 0.0# 51 10.3 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 1170 (6.107 min): 11112011_10.D\data.ms128.1
51.1 102.175.1
239.0 276.0161.9186.9
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 1170 (6.107 min): 11112011_10.D\data.ms (-1117) (-)128.0
102.151.175.0
178.0202.9 236.9 276.0
6.05 6.10 6.15
0
2000000
4000000
6000000
8000000
Time-->
Abundance 6.100
#462,6-DichlorophenolConcen: 109.92 ng RT: 6.174 min Scan# 1192Delta R.T. 0.025 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:162 Resp:40650096Ion Ratio Lower Upper162 100 63 71.8 0.0 0.0# 98 25.2 0.0 0.0#164 64.3 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 1192 (6.175 min): 11112011_10.D\data.ms162.0
63.1212.9
98.0126.0
37.1247.8 275.9
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 1192 (6.175 min): 11112011_10.D\data.ms (-1136) (-)161.9
63.0 212.9
98.0126.0
37.1 247.8 275.9
6.10 6.20 6.30
0
500000
1000000
1500000
2000000
2500000
Time-->
Abundance 6.164
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:19 2011 Page 24
#474-ChloroanilineConcen: 105.15 ng RT: 6.165 min Scan# 1189Delta R.T. 0.026 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:127 Resp:64732265Ion Ratio Lower Upper127 100129 32.5 0.0 0.0# 65 29.6 0.0 0.0# 92 17.3 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1189 (6.166 min): 11112011_10.D\data.ms127.1
162.0
63.1
92.1212.9
37.1247.8 296.3
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1189 (6.166 min): 11112011_10.D\data.ms (-1132) (-)127.1
161.9
63.0
92.0212.9
37.0247.8 296.3
6.10 6.15 6.20 6.25
0
1000000
2000000
3000000
4000000
Time-->
Abundance 6.156
#48HexachloropropeneConcen: 111.47 ng RT: 6.186 min Scan# 1196Delta R.T. 0.011 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:213 Resp:30684411Ion Ratio Lower Upper213 100211 64.3 0.0 0.0#248 5.9 0.0 0.0#215 63.9 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 1196 (6.187 min): 11112011_10.D\data.ms212.9
116.971.0 140.9
36.1 247.8165.9 273.0
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 1196 (6.187 min): 11112011_10.D\data.ms (-1031) (-)212.9
116.971.0 140.9
47.0 247.8175.9 273.0
6.10 6.15 6.20 6.25
0
500000
1000000
1500000
2000000
2500000
Time-->
Abundance 6.181
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:19 2011 Page 25
#49HexachlorobutadieneConcen: 114.19 ng RT: 6.217 min Scan# 1206Delta R.T. 0.010 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:225 Resp:28919357Ion Ratio Lower Upper225 100227 63.5 0.0 0.0#190 42.5 0.0 0.0#260 34.3 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1206 (6.218 min): 11112011_10.D\data.ms224.9
189.9259.8
118.0142.9
83.047.0
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1206 (6.218 min): 11112011_10.D\data.ms (-1154) (-)224.8
189.8259.8
118.0142.9
83.047.0
6.15 6.20 6.25
0
500000
1000000
1500000
2000000
2500000
Time-->
Abundance 6.213
#50N-nitroso-n-butylamineConcen: 109.08 ng RT: 6.476 min Scan# 1289Delta R.T. 0.020 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 84 Resp:35438508Ion Ratio Lower Upper 84 100 57 77.9 0.0 0.0#116 26.9 0.0 0.0# 99 17.6 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 1289 (6.476 min): 11112011_10.D\data.ms84.1
57.1
116.1
141.1
264.1164.7188.0 225.1
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 1289 (6.476 min): 11112011_10.D\data.ms (-1234) (-)84.0
57.1
116.1
141.0
164.7 192.8 248.0225.1
6.40 6.50
0
500000
1000000
1500000
Time-->
Abundance 6.474
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:19 2011 Page 26
#51CaprolactamConcen: 129.46 ng mRT: 6.613 min Scan# 1333Delta R.T. 0.112 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:113 Resp:16794726Ion Ratio Lower Upper113 100 55 0.0 0.0 0.0 56 0.0 0.0 0.0 84 0.0 0.0 0.0
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 1333 (6.613 min): 11112011_10.D\data.ms55.1
107.1
142.0
80.1
175.9 207.1 250.8 276.2
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 1333 (6.613 min): 11112011_10.D\data.ms (-1249) (-)55.0
107.1
142.0
80.1
165.9 192.9 226.8250.8 276.1
6.50 6.60 6.70
0
200000
400000
600000
800000
Time-->
Abundance
6.628
#521,4-PhenylenediamineConcen: 93.16 ng mRT: 6.542 min Scan# 1310Delta R.T. 0.048 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:108 Resp:38263947Ion Ratio Lower Upper108 100 80 0.3 0.0 0.0#107 0.2 0.0 0.0# 81 0.1 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1310 (6.542 min): 11112011_10.D\data.ms108.1
80.1
53.1
133.1158.0 201.9 233.7 265.5
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1310 (6.542 min): 11112011_10.D\data.ms (-1246) (-)108.1
80.0
53.0
139.8164.8 207.1 233.7 265.5
6.40 6.60 6.80
0
500000
1000000
1500000
2000000
Time-->
Abundance
6.579
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:19 2011 Page 27
#534-Chloro-3-methylphenolConcen: 120.74 ng mRT: 6.657 min Scan# 1347Delta R.T. 0.044 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:107 Resp:47425029Ion Ratio Lower Upper107 100142 0.0 0.0 0.0 144 0.0 0.0 0.0 77 0.0 0.0 0.0
Raw
Sub
50 100 150 200 250 3000
20
40
60
80
m/z-->
Abundance Scan 1347 (6.657 min): 11112011_10.D\data.ms107.1
142.0
77.1
39.1
181.0 220.9252.0 341.1
50 100 150 200 250 3000
20
40
60
80
m/z-->
Abundance Scan 1347 (6.657 min): 11112011_10.D\data.ms (-1285) (-)107.1
142.0
77.1
39.1
172.4 220.9252.1 341.1
6.55 6.60 6.65 6.70 6.75
0
2000000
4000000
6000000
Time-->
Abundance
6.638
#54Isosafrole (isomer)Concen: 599.65 ng mRT: 6.682 min Scan# 1355Delta R.T. -0.139 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:162 Resp:40343949Ion Ratio Lower Upper162 100104 0.0 0.0 0.0#131 0.1 0.0 0.0#135 0.0 0.0 0.0
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1355 (6.682 min): 11112011_10.D\data.ms162.1
131.1104.1
77.151.1
206.7 241.0265.8
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1355 (6.682 min): 11112011_10.D\data.ms (-1352) (-)162.1
131.1104.1
77.151.1
206.7 241.0 278.1
6.60 6.70 6.80
0
500000
1000000
1500000
2000000
2500000
Time-->
Abundance 6.672
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:20 2011 Page 28
#552-MethylnaphthaleneConcen: 104.86 ng RT: 6.771 min Scan# 1384Delta R.T. 0.017 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:142 Resp:100170775Ion Ratio Lower Upper142 100141 88.8 0.0 0.0#115 32.4 0.0 0.0#139 11.2 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 280 3000
20
40
60
80
m/z-->
Abundance Scan 1384 (6.772 min): 11112011_10.D\data.ms142.1
71.039.1 114.1 207.1 240.0 299.0177.8
40 60 80 100 120 140 160 180 200 220 240 260 280 3000
20
40
60
80
m/z-->
Abundance Scan 1384 (6.772 min): 11112011_10.D\data.ms (-1330) (-)142.0
63.091.1 178.8 213.0 250.9 299.0
6.70 6.75 6.80
0
2000000
4000000
6000000
Time-->
Abundance 6.763
#561-MethylnaphthaleneConcen: 104.41 ng RT: 6.868 min Scan# 1415Delta R.T. 0.018 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:142 Resp:92909892Ion Ratio Lower Upper142 100141 91.9 0.0 0.0#115 34.1 0.0 0.0#139 11.6 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 280 3000
20
40
60
80
m/z-->
Abundance Scan 1415 (6.868 min): 11112011_10.D\data.ms142.1
115.1
57.7 89.1204.7 235.7 263.8 298.6168.7
40 60 80 100 120 140 160 180 200 220 240 260 280 3000
20
40
60
80
m/z-->
Abundance Scan 1415 (6.868 min): 11112011_10.D\data.ms (-1361) (-)142.0
115.1
57.7 89.0177.7204.7 235.7 263.8 298.6
6.80 6.85 6.90
0
2000000
4000000
6000000
Time-->
Abundance 6.860
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:20 2011 Page 29
#57HexachlorocyclopentadieneConcen: 117.22 ng RT: 6.920 min Scan# 1432Delta R.T. 0.008 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:237 Resp:33882536Ion Ratio Lower Upper237 100239 63.1 0.0 0.0#235 63.6 0.0 0.0#272 13.9 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1432 (6.921 min): 11112011_10.D\data.ms236.9
95.0 142.9 271.858.1 178.9204.9
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1432 (6.921 min): 11112011_10.D\data.ms (-1381) (-)236.9
95.0 130.0 271.858.1 166.9202.9
6.85 6.90 6.95
0
500000
1000000
1500000
2000000
2500000
Time-->
Abundance 6.917
#581,2,4,5-TetrachlorobenzeneConcen: 108.17 ng RT: 6.937 min Scan# 1437Delta R.T. 0.017 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:216 Resp:46300631Ion Ratio Lower Upper216 100214 80.8 0.0 0.0#218 47.9 0.0 0.0#179 20.6 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1437 (6.936 min): 11112011_10.D\data.ms215.9
178.9108.074.1 143.0
37.1240.9266.7
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1437 (6.936 min): 11112011_10.D\data.ms (-1383) (-)215.9
178.9108.0
74.1 145.037.1
241.8268.1
6.85 6.90 6.95
0
1000000
2000000
3000000
4000000
Time-->
Abundance 6.930
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:20 2011 Page 30
#602,4,6-TrichlorophenolConcen: 126.08 ng RT: 7.055 min Scan# 1475Delta R.T. 0.025 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:196 Resp:36719068Ion Ratio Lower Upper196 100198 96.1 0.0 0.0# 97 51.1 0.0 0.0#132 41.6 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 280 3000
20
40
60
80
m/z-->
Abundance Scan 1475 (7.055 min): 11112011_10.D\data.ms196.0
97.0132.0
62.1160.0
225.0 267.7 315.0
40 60 80 100 120 140 160 180 200 220 240 260 280 3000
20
40
60
80
m/z-->
Abundance Scan 1475 (7.055 min): 11112011_10.D\data.ms (-1419) (-)196.0
97.0132.0
62.0160.0
235.7 267.6 315.0
6.95 7.00 7.05 7.10
0
500000
1000000
1500000
2000000
Time-->
Abundance 7.048
#612,4,5-TrichlorophenolConcen: 115.90 ng mRT: 7.114 min Scan# 1494Delta R.T. 0.040 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:196 Resp:35836627Ion Ratio Lower Upper196 100198 98.6 0.0 0.0# 97 52.3 0.0 0.0#132 43.0 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1494 (7.114 min): 11112011_10.D\data.ms196.0
97.0
132.0
62.1 170.1
36.0 222.9 252.9 280.9
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1494 (7.114 min): 11112011_10.D\data.ms (-1433) (-)196.0
97.0
132.962.1 170.1
223.9 280.9
7.05 7.10 7.15
0
500000
1000000
1500000
2000000
Time-->
Abundance 7.105
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:21 2011 Page 31
#63SafroleConcen: 119.01 ng mRT: 7.197 min Scan# 1521Delta R.T. 0.024 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:162 Resp:44318289Ion Ratio Lower Upper162 100104 2.8 0.0 0.0#131 2.6 0.0 0.0#135 1.2 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1521 (7.197 min): 11112011_10.D\data.ms162.1
131.1104.1
77.151.1
188.1 213.9 240.0 277.1
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1521 (7.197 min): 11112011_10.D\data.ms (-1465) (-)162.1
131.0104.1
77.051.1
188.1 213.9 240.0 277.1
7.10 7.15 7.20
0
1000000
2000000
3000000
4000000
5000000
Time-->
Abundance
7.191
#64BiphenylConcen: 103.96 ng RT: 7.236 min Scan# 1533Delta R.T. 0.023 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:154 Resp:114186685Ion Ratio Lower Upper154 100153 41.7 22.4 33.6#152 28.4 9.4 14.0# 76 15.8 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1533 (7.235 min): 11112011_10.D\data.ms154.1
127.176.1
51.1102.1
180.9204.8 238.8 275.9
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1533 (7.235 min): 11112011_10.D\data.ms (-1477) (-)154.1
127.176.0
51.1102.1 179.0204.1228.1 275.9
7.10 7.15 7.20 7.25 7.30
0
2000000
4000000
6000000
Time-->
Abundance 7.225
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:21 2011 Page 32
#652-ChloronaphthaleneConcen: 123.40 ng RT: 7.259 min Scan# 1541Delta R.T. 0.025 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:162 Resp:118202222Ion Ratio Lower Upper162 100127 44.3 0.0 0.0#164 33.5 240.2 360.2#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 1541 (7.260 min): 11112011_10.D\data.ms162.1
127.1
63.1101.139.1 190.1 227.8 276.0251.9
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 1541 (7.260 min): 11112011_10.D\data.ms (-1484) (-)162.1
127.1
63.0101.1
38.0 188.9 214.8 251.9
7.20 7.25
0
2000000
4000000
6000000
Time-->
Abundance 7.250
#661-ChloronaphthaleneConcen: 75.36 ng mRT: 7.275 min Scan# 1546Delta R.T. 0.020 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:162 Resp:53635270Ion Ratio Lower Upper162 100127 98.1 0.0 0.0#164 73.9 272.9 409.3#126 51.0 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 1546 (7.275 min): 11112011_10.D\data.ms162.1
127.1
63.1101.139.1 190.0 217.9 252.0276.0
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 1546 (7.275 min): 11112011_10.D\data.ms (-1491) (-)162.1
127.1
63.0101.1
39.1 187.0 212.2 238.9 275.9
7.25 7.30 7.35
0
2000000
4000000
6000000
Time-->
Abundance 7.276
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:21 2011 Page 33
#67Diphenyl etherConcen: 111.69 ng RT: 7.321 min Scan# 1561Delta R.T. 0.015 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:170 Resp:63372684Ion Ratio Lower Upper170 100 51 32.9 0.0 0.0# 77 32.0 0.0 0.0#141 60.3 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1561 (7.322 min): 11112011_10.D\data.ms170.1
141.1
77.151.1
115.1
197.9 252.0275.8228.1
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1561 (7.322 min): 11112011_10.D\data.ms (-1507) (-)170.1
141.0
77.151.0
115.1
206.8 252.0275.8
7.25 7.30 7.35 7.40
0
1000000
2000000
3000000
4000000
5000000
Time-->
Abundance 7.315
#682-NitroanilineConcen: 126.49 ng RT: 7.345 min Scan# 1568Delta R.T. 0.019 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:138 Resp:38492931Ion Ratio Lower Upper138 100 65 80.2 0.0 0.0# 92 56.4 0.0 0.0#139 7.1 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1568 (7.344 min): 11112011_10.D\data.ms138.1
65.1
92.1
39.1
176.8 203.9 248.7 280.8
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1568 (7.344 min): 11112011_10.D\data.ms (-1514) (-)138.0
65.1
92.1
39.1
165.9 193.0 223.0 250.8 280.8
7.25 7.30 7.35 7.40 7.45
0
500000
1000000
1500000
Time-->
Abundance 7.351
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:21 2011 Page 34
#691,4-NaphthoquinoneConcen: 88.76 ng mRT: 7.412 min Scan# 1590Delta R.T. 0.019 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:158 Resp:24668877Ion Ratio Lower Upper158 100104 36.5 0.0 0.0# 76 26.1 0.0 0.0#130 27.8 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 2400
20
40
60
80
m/z-->
Abundance Scan 1590 (7.412 min): 11112011_10.D\data.ms158.0
102.1
76.1
130.050.1
179.6 205.9 231.5
40 60 80 100 120 140 160 180 200 220 2400
20
40
60
80
m/z-->
Abundance Scan 1590 (7.412 min): 11112011_10.D\data.ms (-1536) (-)158.0
104.0
130.0
76.1
53.0181.0 205.9228.1 252.3
7.30 7.40 7.50 7.60
0
500000
1000000
Time-->
Abundance
7.431
#701,4-DinitrobenzeneConcen: 130.81 ng mRT: 7.487 min Scan# 1614Delta R.T. 0.031 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:168 Resp:19362631Ion Ratio Lower Upper168 100 75 1.5 0.0 0.0# 76 0.0 0.0 0.0 50 1.7 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1614 (7.487 min): 11112011_10.D\data.ms75.150.1 168.0
122.0
194.1 228.1 257.5
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1614 (7.487 min): 11112011_10.D\data.ms (-1556) (-)75.1 168.0
50.1
122.0
194.1 224.0 250.2 280.8
7.40 7.45 7.50 7.55
0
200000
400000
600000
Time-->
Abundance
7.489
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:22 2011 Page 35
#71Dimethyl phthalateConcen: 117.08 ng RT: 7.554 min Scan# 1636Delta R.T. 0.037 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:163 Resp:118388579Ion Ratio Lower Upper163 100 77 20.6 0.0 0.0#194 4.1 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 2400
20
40
60
80
m/z-->
Abundance Scan 1636 (7.555 min): 11112011_10.D\data.ms163.1
77.150.1
135.0104.0 194.1225.1 253.1
40 60 80 100 120 140 160 180 200 220 2400
20
40
60
80
m/z-->
Abundance Scan 1636 (7.555 min): 11112011_10.D\data.ms (-1575) (-)163.1
77.150.0
135.0 194.1104.0238.9
7.40 7.50 7.60 7.70
0
1000000
2000000
3000000
4000000
Time-->
Abundance 7.540
#721,3-DinitrobenzeneConcen: 122.74 ng mRT: 7.595 min Scan# 1649Delta R.T. 0.047 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:168 Resp:20563760Ion Ratio Lower Upper168 100 76 80.8 0.0 0.0# 75 116.6 0.0 0.0# 50 81.6 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 280 3000
20
40
60
80
m/z-->
Abundance Scan 1649 (7.595 min): 11112011_10.D\data.ms75.1 168.0
122.0
39.1
195.8 226.0253.8 305.2
40 60 80 100 120 140 160 180 200 220 240 260 280 3000
20
40
60
80
m/z-->
Abundance Scan 1649 (7.595 min): 11112011_10.D\data.ms (-1585) (-)75.1 167.9
122.0
39.1
255.0 305.1200.8228.2
7.50 7.55 7.60
0
500000
1000000
Time-->
Abundance
7.583
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:22 2011 Page 36
#732,6-DinitrotolueneConcen: 125.38 ng RT: 7.609 min Scan# 1653Delta R.T. 0.040 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:165 Resp:29096834Ion Ratio Lower Upper165 100 63 70.8 0.0 0.0# 89 45.6 0.0 0.0# 90 30.1 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 1653 (7.608 min): 11112011_10.D\data.ms165.0
63.189.1
39.1 121.0
189.9 219.9 249.9 276.1
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 1653 (7.608 min): 11112011_10.D\data.ms (-1592) (-)164.9
63.0 89.0
39.1 121.0
219.9 249.9 276.1188.9
7.40 7.50 7.60 7.70
0
500000
1000000
1500000
Time-->
Abundance 7.594
#741,2-DinitrobenzeneConcen: 117.06 ng mRT: 7.676 min Scan# 1675Delta R.T. 0.045 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:168 Resp:12161739Ion Ratio Lower Upper168 100 50 120.3 0.0 0.0# 63 148.1 0.0 0.0# 76 121.0 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 2400
20
40
60
80
m/z-->
Abundance Scan 1675 (7.676 min): 11112011_10.D\data.ms50.1
168.0
76.1
122.0 197.798.9 227.0 249.9144.9
40 60 80 100 120 140 160 180 200 220 2400
20
40
60
80
m/z-->
Abundance Scan 1675 (7.676 min): 11112011_10.D\data.ms (-1612) (-)63.0
39.1
168.0
94.0
202.0 234.3115.9 140.9
7.60 7.65 7.70 7.75
0
500000
1000000
Time-->
Abundance
7.665
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:22 2011 Page 37
#75AcenaphthyleneConcen: 102.56 ng RT: 7.660 min Scan# 1670Delta R.T. 0.020 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:152 Resp:146131285Ion Ratio Lower Upper152 100153 13.8 0.0 0.0# 76 15.9 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 280 3000
20
40
60
80
m/z-->
Abundance Scan 1670 (7.661 min): 11112011_10.D\data.ms152.1
76.1
50.1126.1
190.0 236.8 281.0
40 60 80 100 120 140 160 180 200 220 240 260 280 3000
20
40
60
80
m/z-->
Abundance Scan 1670 (7.661 min): 11112011_10.D\data.ms (-1615) (-)152.0
63.0126.198.1 188.9 226.8252.9 301.037.1
7.60 7.65 7.70
0
2000000
4000000
6000000
8000000
Time-->
Abundance 7.653
#763-NitroanilineConcen: 124.76 ng mRT: 7.788 min Scan# 1711Delta R.T. 0.047 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 65 Resp:38025982Ion Ratio Lower Upper 65 100 92 1.0 0.0 0.0#138 1.1 0.0 0.0# 39 0.3 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1711 (7.788 min): 11112011_10.D\data.ms65.1
92.1 138.1
164.2
39.1
189.9216.7 252.0 295.8
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1711 (7.788 min): 11112011_10.D\data.ms (-1648) (-)65.1
138.0
92.1
164.2
39.1
189.9 220.0 249.8 295.8
7.65 7.70 7.75 7.80 7.85
0
500000
1000000
1500000
Time-->
Abundance 7.773
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:22 2011 Page 38
#78AcenaphtheneConcen: 104.90 ng RT: 7.833 min Scan# 1726Delta R.T. 0.022 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:153 Resp:98898757Ion Ratio Lower Upper153 100154 88.5 72.5 108.7 152 47.2 36.8 55.2 76 26.2 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1726 (7.835 min): 11112011_10.D\data.ms153.1
76.1
126.151.1101.1 181.9 207.9 245.2 276.1
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1726 (7.835 min): 11112011_10.D\data.ms (-1670) (-)154.1
77.0127.1 208.8 245.8 281.1178.935.1
7.75 7.80 7.85 7.90
0
2000000
4000000
6000000
Time-->
Abundance 7.825
#792,4-DinitrophenolConcen: 170.19 ng mRT: 7.897 min Scan# 1746Delta R.T. 0.051 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:184 Resp:20943148Ion Ratio Lower Upper184 100 63 41.4 0.0 0.0# 91 0.3 0.0 0.0#107 0.1 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1746 (7.897 min): 11112011_10.D\data.ms184.0
63.1
154.091.0
38.1
122.0 208.9233.8 263.9
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1746 (7.897 min): 11112011_10.D\data.ms (-1681) (-)184.0
63.0
154.091.0
38.0
120.0 208.9233.8 265.8
7.80 7.85 7.90 7.95
0
500000
1000000
Time-->
Abundance 7.888
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:23 2011 Page 39
#804-NitrophenolConcen: 105.73 ng mRT: 7.965 min Scan# 1768Delta R.T. 0.057 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 65 Resp:20508100Ion Ratio Lower Upper 65 100139 0.6 0.0 0.0#109 0.6 0.0 0.0# 39 12.8 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1768 (7.965 min): 11112011_10.D\data.ms249.9
139.1
65.1 214.939.1 109.0
168.1
276.0
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1768 (7.965 min): 11112011_10.D\data.ms (-1701) (-)249.9
139.0
214.9109.0
168.173.039.1
277.9
7.90 7.95 8.00 8.05
0
1000000
2000000
3000000
Time-->
Abundance
7.977
#81PentachlorobenzeneConcen: 118.14 ng RT: 7.961 min Scan# 1767Delta R.T. 0.018 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:250 Resp:46400710Ion Ratio Lower Upper250 100248 64.9 0.0 0.0#215 22.8 0.0 0.0#213 17.9 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1767 (7.962 min): 11112011_10.D\data.ms249.9
139.1 214.9108.065.1
39.1179.9
280.9
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1767 (7.962 min): 11112011_10.D\data.ms (-1712) (-)249.9
214.8139.1108.0
73.0 179.937.1 280.9
7.90 7.95 8.00
0
1000000
2000000
3000000
Time-->
Abundance 7.955
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:24 2011 Page 40
#822,4-DinitrotolueneConcen: 124.08 ng RT: 8.028 min Scan# 1788Delta R.T. 0.052 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:165 Resp:37680390Ion Ratio Lower Upper165 100 89 65.2 0.0 0.0# 63 25.0 0.0 0.0#182 2.9 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1788 (8.027 min): 11112011_10.D\data.ms165.0
89.1
63.1
119.0
38.1190.9 216.8 252.0277.0
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1788 (8.027 min): 11112011_10.D\data.ms (-1723) (-)165.0
89.1
119.063.1
38.1 190.9 221.2 252.0277.0
7.90 8.00 8.10
0
500000
1000000
1500000
2000000
Time-->
Abundance 8.013
#83DibenzofuranConcen: 100.81 ng RT: 8.001 min Scan# 1780Delta R.T. 0.021 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:168 Resp:122909799Ion Ratio Lower Upper168 100139 57.9 28.2 42.2#169 14.1 0.0 0.0# 84 8.6 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 1780 (8.002 min): 11112011_10.D\data.ms168.1
84.139.1
118.1 204.9 247.6 281.9 355.0
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 1780 (8.002 min): 11112011_10.D\data.ms (-1724) (-)168.1
84.139.1 118.1 199.8231.8 275.9 355.0
7.90 7.95 8.00 8.05
0
2000000
4000000
6000000
8000000
Time-->
Abundance 7.995
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:24 2011 Page 41
#841-NaphthalamineConcen: 116.38 ng mRT: 8.108 min Scan# 1814Delta R.T. 0.044 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:143 Resp:104157325Ion Ratio Lower Upper143 100115 43.9 0.0 0.0#116 20.8 0.0 0.0#144 10.8 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1814 (8.108 min): 11112011_10.D\data.ms143.1
115.1
231.971.639.1 167.9 195.9 263.8
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1814 (8.108 min): 11112011_10.D\data.ms (-1752) (-)143.1
115.1
231.971.639.1 167.9 193.8 263.8
8.00 8.05 8.10 8.15
0
1000000
2000000
3000000
4000000
5000000
Time-->
Abundance
8.091
#852,3,5,6-TetrachlorophenolConcen: 135.68 ng RT: 8.093 min Scan# 1809Delta R.T. 0.029 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:232 Resp:35736229Ion Ratio Lower Upper232 100230 79.1 0.0 0.0#234 48.3 0.0 0.0#131 36.0 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1809 (8.093 min): 11112011_10.D\data.ms143.1
231.9
115.1
65.0 193.939.1
265.6 292.8
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1809 (8.093 min): 11112011_10.D\data.ms (-1751) (-)143.0
231.9
115.1
193.965.039.0
265.6 292.8
8.00 8.05 8.10
0
500000
1000000
1500000
2000000
Time-->
Abundance
8.087
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:25 2011 Page 42
#862,3,4,6-TetrachlorophenolConcen: 114.46 ng mRT: 8.136 min Scan# 1823Delta R.T. 0.032 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:232 Resp:29813395Ion Ratio Lower Upper232 100230 94.9 0.0 0.0#234 58.0 0.0 0.0#131 43.1 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1823 (8.136 min): 11112011_10.D\data.ms231.9
131.0
165.9
96.061.1 193.9
37.1273.8
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1823 (8.136 min): 11112011_10.D\data.ms (-1765) (-)231.9
131.0
165.9
193.996.061.1
273.8
8.10 8.20 8.30
0
500000
1000000
1500000
2000000
Time-->
Abundance 8.133
#872-NaphthalamineConcen: 112.18 ng mRT: 8.180 min Scan# 1837Delta R.T. 0.041 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:143 Resp:101582788Ion Ratio Lower Upper143 100115 45.4 0.0 0.0#116 21.5 0.0 0.0#144 11.9 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1837 (8.180 min): 11112011_10.D\data.ms143.1
115.1
71.639.1 193.1167.9 223.0 251.9 280.9
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1837 (8.180 min): 11112011_10.D\data.ms (-1776) (-)143.0
115.1
71.6193.141.0 222.0 255.0
8.10 8.20 8.30
0
2000000
4000000
6000000
Time-->
Abundance 8.171
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:25 2011 Page 43
#88Diethyl PhthalateConcen: 113.23 ng RT: 8.233 min Scan# 1854Delta R.T. 0.032 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:149 Resp:114512111Ion Ratio Lower Upper149 100 77 3.9 0.0 0.0#222 1.0 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1854 (8.232 min): 11112011_10.D\data.ms149.1
177.1
105.165.139.1 222.1 250.8 278.9
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1854 (8.232 min): 11112011_10.D\data.ms (-1796) (-)149.0
177.1
76.0 105.150.0
222.1 252.1 278.9
8.15 8.20 8.25 8.30
0
2000000
4000000
6000000
Time-->
Abundance 8.226
#894-Chlorophenyl phenyl etherConcen: 98.45 ng RT: 8.331 min Scan# 1886Delta R.T. 0.022 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:204 Resp:46132957Ion Ratio Lower Upper204 100206 32.4 0.0 0.0#141 56.3 0.0 0.0# 77 38.4 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 1886 (8.332 min): 11112011_10.D\data.ms204.1166.1
141.1
77.1
51.1
115.1
229.8 269.1
40 60 80 100 120 140 160 180 200 220 240 2600
20
40
60
80
m/z-->
Abundance Scan 1886 (8.332 min): 11112011_10.D\data.ms (-1830) (-)204.1166.1
141.1
77.1
51.1
111.0250.1
8.20 8.30 8.40
0
2000000
4000000
6000000
8000000
Time-->
Abundance
8.326
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:26 2011 Page 44
#90FluoreneConcen: 102.27 ng RT: 8.343 min Scan# 1890Delta R.T. 0.025 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:166 Resp:103739400Ion Ratio Lower Upper166 100165 97.3 0.0 0.0#167 15.6 0.0 0.0# 82 15.8 0.0 0.0#
Raw
Sub
50 100 150 200 250 3000
20
40
60
80
m/z-->
Abundance Scan 1890 (8.344 min): 11112011_10.D\data.ms166.1
82.6
115.139.1 197.9228.1 263.8294.6 340.8
50 100 150 200 250 3000
20
40
60
80
m/z-->
Abundance Scan 1890 (8.344 min): 11112011_10.D\data.ms (-1833) (-)166.1
82.6
50.1 198.8113.1 232.6 294.6 340.8
8.20 8.30 8.40
0
2000000
4000000
6000000
Time-->
Abundance 8.335
#912-Methyl-5-nitroanilineConcen: 131.72 ng mRT: 8.382 min Scan# 1902Delta R.T. 0.045 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:152 Resp:36764220Ion Ratio Lower Upper152 100 77 59.8 0.0 0.0#106 65.9 0.0 0.0# 79 49.3 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 350 400 4500
20
40
60
80
m/z-->
Abundance Scan 1902 (8.382 min): 11112011_10.D\data.ms152.1
77.1
198.1 252.0 484.1
50 100 150 200 250 300 350 400 4500
20
40
60
80
m/z-->
Abundance Scan 1902 (8.382 min): 11112011_10.D\data.ms (-1839) (-)152.0
77.1
198.1 249.9 484.1
8.30 8.40
0
2000000
4000000
6000000
8000000
Time-->
Abundance
8.375
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:26 2011 Page 45
#924-NitroanilineConcen: 118.29 ng mRT: 8.431 min Scan# 1918Delta R.T. 0.072 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 65 Resp:35347940Ion Ratio Lower Upper 65 100138 4.5 0.0 0.0#108 0.5 0.0 0.0# 92 1.0 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1918 (8.431 min): 11112011_10.D\data.ms65.1 138.1
198.0108.1
39.1169.1
222.1 250.8 278.1
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1918 (8.431 min): 11112011_10.D\data.ms (-1847) (-)138.165.1
197.9
108.1
39.1 169.1
276.9228.8
8.35 8.40 8.45
0
500000
1000000
1500000
Time-->
Abundance 8.415
#934,6-Dinitro-2-methylphenolConcen: 145.85 ng mRT: 8.438 min Scan# 1920Delta R.T. 0.057 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:198 Resp:24163331Ion Ratio Lower Upper198 100105 0.0 0.0 0.0 51 0.0 0.0 0.0 121 0.5 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1920 (8.438 min): 11112011_10.D\data.ms198.0
65.1138.1
169.1
105.139.1
224.8 251.9276.0
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1920 (8.438 min): 11112011_10.D\data.ms (-1853) (-)197.9
138.0
169.1
51.1108.1
80.1
236.8 267.1
8.35 8.40 8.45 8.50
0
500000
1000000
1500000
2000000
Time-->
Abundance
8.425
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:26 2011 Page 46
#94N-nitrosodiphenylamineConcen: 108.67 ng RT: 8.469 min Scan# 1930Delta R.T. 0.035 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:169 Resp:93418378Ion Ratio Lower Upper169 100168 72.0 0.0 0.0#167 37.6 0.0 0.0# 77 0.0 0.0 0.0
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1930 (8.469 min): 11112011_10.D\data.ms169.1
77.1
51.1
141.1115.1194.9220.8 247.9 277.0
40 60 80 100 120 140 160 180 200 220 240 260 2800
20
40
60
80
m/z-->
Abundance Scan 1930 (8.469 min): 11112011_10.D\data.ms (-1870) (-)169.1
77.0
51.0
141.1115.1197.0 227.9 255.0280.8
8.30 8.40 8.50 8.60
0
2000000
4000000
6000000
8000000
Time-->
Abundance
8.458
#95DiphenylhydrazineConcen: 123.83 ng mRT: 8.494 min Scan# 1938Delta R.T. 0.025 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 77 Resp:116208144Ion Ratio Lower Upper 77 100 51 24.4 0.0 0.0#105 17.5 0.0 0.0#182 24.8 0.0 0.0#
Raw
Sub
40 60 80 100 120 140 160 180 200 220 240260 280 300 3200
20
40
60
80
m/z-->
Abundance Scan 1938 (8.494 min): 11112011_10.D\data.ms77.1
182.1105.1
152.139.1 213.8 258.8287.8 319.0
40 60 80 100 120 140 160 180 200 220 240260 280 300 3200
20
40
60
80
m/z-->
Abundance Scan 1938 (8.494 min): 11112011_10.D\data.ms (-1882) (-)77.1
182.1
105.1
152.1
37.1 224.9 277.3 319.0
8.40 8.45 8.50 8.55
0
2000000
4000000
6000000
8000000
Time-->
Abundance 8.485
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:27 2011 Page 47
#97DiallateConcen: 96.55 ng RT: 8.728 min Scan# 2014Delta R.T. 0.020 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 43 Resp:46506574Ion Ratio Lower Upper 43 100 86 77.2 0.0 0.0#234 37.0 0.0 0.0#236 13.8 0.0 0.0#
Raw
Sub
50 100 150 200 250 3000
20
40
60
80
m/z-->
Abundance Scan 2014 (8.730 min): 11112011_10.D\data.ms43.1
86.1
234.1
128.1
169.0198.8 268.1 327.7
50 100 150 200 250 3000
20
40
60
80
m/z-->
Abundance Scan 2014 (8.730 min): 11112011_10.D\data.ms (-1959) (-)43.1
86.0
234.1
128.1
169.0 199.9 264.0294.3 329.5
8.65 8.70 8.75
0
1000000
2000000
3000000
Time-->
Abundance 8.723
#981,3,5-trinitrobenzeneConcen: 147.15 ng mRT: 8.786 min Scan# 2032Delta R.T. 0.073 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:213 Resp:14869131Ion Ratio Lower Upper213 100 75 0.5 0.0 0.0# 74 0.1 0.0 0.0#120 0.1 0.0 0.0#
Raw
Sub
50 100 150 200 250 3000
20
40
60
80
m/z-->
Abundance Scan 2032 (8.786 min): 11112011_10.D\data.ms75.1
108.1213.0
248.0179.1137.1
43.1
278.1 314.9
50 100 150 200 250 3000
20
40
60
80
m/z-->
Abundance Scan 2032 (8.786 min): 11112011_10.D\data.ms (-1960) (-)75.1
108.1212.9
247.9179.1137.1
43.0
314.9
8.70 8.80
0
500000
1000000
Time-->
Abundance
8.773
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:27 2011 Page 48
#99PhenacetinConcen: 120.95 ng mRT: 8.826 min Scan# 2045Delta R.T. 0.069 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:108 Resp:53833833Ion Ratio Lower Upper108 100109 12.1 0.0 0.0#179 0.2 0.0 0.0#137 0.2 0.0 0.0#
Raw
Sub
50 100 150 200 250 3000
20
40
60
80
m/z-->
Abundance Scan 2045 (8.826 min): 11112011_10.D\data.ms108.1
179.1
137.143.1
79.1 248.0210.9 279.1 329.8
50 100 150 200 250 3000
20
40
60
80
m/z-->
Abundance Scan 2045 (8.826 min): 11112011_10.D\data.ms (-1975) (-)108.1
179.1
137.043.0
79.0 248.0 283.8208.8
8.70 8.75 8.80 8.85
0
500000
1000000
1500000
2000000
2500000
Time-->
Abundance 8.806
#1004-Bromophenyl phenyl etherConcen: 117.00 ng RT: 8.811 min Scan# 2040Delta R.T. 0.018 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:248 Resp:35512474Ion Ratio Lower Upper248 100246 0.0 0.0 0.0#141 58.0 0.0 0.0# 77 48.3 0.0 0.0#
Raw
Sub
50 100 150 200 250 3000
20
40
60
80
m/z-->
Abundance Scan 2040 (8.811 min): 11112011_10.D\data.ms248.0
108.1 141.1
77.143.1179.1
219.0 276.9 327.8
50 100 150 200 250 3000
20
40
60
80
m/z-->
Abundance Scan 2040 (8.811 min): 11112011_10.D\data.ms (-1986) (-)248.0
108.1 141.0
77.143.0179.1
219.0 276.9305.9
8.70 8.75 8.80 8.85
0
500000
1000000
1500000
2000000
Time-->
Abundance 8.804
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:27 2011 Page 49
#101HexachlorobenzeneConcen: 121.78 ng RT: 8.892 min Scan# 2066Delta R.T. 0.022 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:284 Resp:41625861Ion Ratio Lower Upper284 100286 78.0 0.0 0.0#282 55.3 0.0 0.0#142 31.6 0.0 0.0#
Raw
Sub
50 100 150 200 250 3000
20
40
60
80
m/z-->
Abundance Scan 2066 (8.891 min): 11112011_10.D\data.ms283.9
248.9142.0
107.0 213.9178.971.0
36.1314.9
50 100 150 200 250 3000
20
40
60
80
m/z-->
Abundance Scan 2066 (8.891 min): 11112011_10.D\data.ms (-2011) (-)283.9
248.8141.9
213.9107.0176.971.0
36.0 314.9
8.80 8.90 9.00
0
1000000
2000000
3000000
Time-->
Abundance 8.884
#102AtrazineConcen: 21.25 ng mRT: 8.985 min Scan# 2096Delta R.T. 0.026 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:200 Resp: 4021338Ion Ratio Lower Upper200 100215 3.4 0.0 0.0#173 1.9 0.0 0.0#202 2.3 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 350 4000
20
40
60
80
m/z-->
Abundance Scan 2096 (8.985 min): 11112011_10.D\data.ms200.1
58.1
138.1
97.0 239.8279.2 340.9 429.3
50 100 150 200 250 300 350 4000
20
40
60
80
m/z-->
Abundance Scan 2096 (8.985 min): 11112011_10.D\data.ms (-2039) (-)200.1
58.1
132.0
246.7285.6 355.0 429.3
8.95 9.00
0
100000
200000
300000
400000
Time-->
Abundance 8.982
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:28 2011 Page 50
#1034-AminobiphenylConcen: 84.99 ng RT: 9.086 min Scan# 2129Delta R.T. 0.028 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:169 Resp:80184767Ion Ratio Lower Upper169 100168 22.6 0.0 0.0#115 9.0 0.0 0.0#141 11.1 0.0 0.0#
Raw
Sub
50 100 150 200 250 3000
20
40
60
80
m/z-->
Abundance Scan 2129 (9.087 min): 11112011_10.D\data.ms169.1
265.9
115.1 236.983.6 201.9 294.939.1 329.7
50 100 150 200 250 3000
20
40
60
80
m/z-->
Abundance Scan 2129 (9.087 min): 11112011_10.D\data.ms (-2071) (-)169.1
265.9
115.1 236.883.6 201.9 294.939.0 329.7
9.00 9.10 9.20
0
2000000
4000000
Time-->
Abundance 9.080
#104PentachlorophenolConcen: 131.76 ng RT: 9.082 min Scan# 2127Delta R.T. 0.017 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:266 Resp:28543832Ion Ratio Lower Upper266 100264 63.8 0.0 0.0#268 63.3 0.0 0.0#165 22.6 0.0 0.0#
Raw
Sub
50 100 150 200 250 3000
20
40
60
80
m/z-->
Abundance Scan 2127 (9.081 min): 11112011_10.D\data.ms169.1
265.9
115.1 236.983.6 294.9201.952.1 327.7
50 100 150 200 250 3000
20
40
60
80
m/z-->
Abundance Scan 2127 (9.081 min): 11112011_10.D\data.ms (-2074) (-)169.1
265.9
115.1 236.983.6 294.9201.939.0 327.7
9.00 9.10 9.20
0
500000
1000000
Time-->
Abundance 9.083
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:28 2011 Page 51
#105PentachloronitrobenzeneConcen: 119.82 ng mRT: 9.093 min Scan# 2131Delta R.T. 0.018 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:237 Resp:14290103Ion Ratio Lower Upper237 100295 36.7 0.0 0.0#249 0.0 0.0 0.0 214 24.3 0.0 0.0#
Raw
Sub
50 100 150 200 250 3000
20
40
60
80
m/z-->
Abundance Scan 2131 (9.093 min): 11112011_10.D\data.ms169.1
265.9
236.9
201.9 294.995.0 130.060.0
327.5
50 100 150 200 250 3000
20
40
60
80
m/z-->
Abundance Scan 2131 (9.093 min): 11112011_10.D\data.ms (-2077) (-)169.1
265.9
236.9
201.9 294.995.0 129.960.0
325.1
9.00 9.05 9.10 9.15
0
100000
200000
300000
400000
Time-->
Abundance 9.091
#106PropyzamideConcen: 118.55 ng mRT: 9.149 min Scan# 2149Delta R.T. 0.033 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:173 Resp:51496195Ion Ratio Lower Upper173 100175 0.3 0.0 0.0#145 1.0 0.0 0.0#240 0.4 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2149 (9.149 min): 11112011_10.D\data.ms173.0
254.1109.0
41.1 75.1
212.0 294.8 331.9 375.0
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2149 (9.149 min): 11112011_10.D\data.ms (-2090) (-)173.0
254.1109.0
41.0 75.1
212.0 294.8 375.0331.9
9.10 9.15 9.20
0
1000000
2000000
3000000
Time-->
Abundance 9.143
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:28 2011 Page 52
#108PhenanthreneConcen: 99.40 ng RT: 9.297 min Scan# 2197Delta R.T. 0.026 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:178 Resp:154198385Ion Ratio Lower Upper178 100176 21.1 0.0 0.0#152 10.5 0.0 0.0# 76 12.9 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2197 (9.299 min): 11112011_10.D\data.ms178.1
76.1
126.139.1 214.0 250.7 298.9 375.0
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2197 (9.299 min): 11112011_10.D\data.ms (-2140) (-)178.1
76.0
126.1 217.2 272.0 313.9 375.038.0
9.20 9.25 9.30
0
2000000
4000000
6000000
8000000
Time-->
Abundance 9.288
#109AnthraceneConcen: 93.64 ng mRT: 9.345 min Scan# 2212Delta R.T. 0.022 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:178 Resp:149338649Ion Ratio Lower Upper178 100179 16.7 0.0 0.0#152 10.9 0.0 0.0# 89 11.7 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2212 (9.345 min): 11112011_10.D\data.ms178.1
89.1
126.151.1 213.0247.6280.8314.0 375.3
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2212 (9.345 min): 11112011_10.D\data.ms (-2157) (-)178.1
89.0
50.0 126.1 224.8 263.1296.9 374.2
9.30 9.40 9.50
0
2000000
4000000
6000000
8000000
Time-->
Abundance 9.341
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:28 2011 Page 53
#110CarbazoleConcen: 103.39 ng RT: 9.502 min Scan# 2262Delta R.T. 0.028 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:167 Resp:150990057Ion Ratio Lower Upper167 100166 23.0 0.0 0.0#139 14.6 0.0 0.0# 84 0.0 0.0 0.0
Raw
Sub
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2262 (9.501 min): 11112011_10.D\data.ms167.1
83.6
39.1 118.0 200.6233.8267.8 318.3 360.1
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2262 (9.501 min): 11112011_10.D\data.ms (-2205) (-)167.1
83.6
39.1 231.8119.1 266.6 318.3 375.1
9.40 9.50 9.60
0
2000000
4000000
6000000
8000000
Time-->
Abundance 9.491
#111di-n-Butyl phthalateConcen: 82.66 ng RT: 9.821 min Scan# 2365Delta R.T. 0.017 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:149 Resp:142376763Ion Ratio Lower Upper149 100205 4.1 0.0 0.0#223 4.5 0.0 0.0#278 0.2 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2365 (9.821 min): 11112011_10.D\data.ms149.1
41.176.1 223.1
376.2183.9111.0 261.1296.0331.0
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2365 (9.821 min): 11112011_10.D\data.ms (-2311) (-)149.1
41.076.0 223.1
184.9113.1 261.1296.0 332.1 375.2
9.70 9.75 9.80 9.85 9.90
0
2000000
4000000
6000000
8000000
Time-->
Abundance 9.812
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:29 2011 Page 54
#1124-Nitroquinoline-1-oxideConcen: 130.54 ng RT: 10.061 min Scan# 2442Delta R.T. 0.030 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:190 Resp:21436258Ion Ratio Lower Upper190 100160 53.8 0.0 0.0# 89 53.2 0.0 0.0#114 37.7 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2442 (10.060 min): 11112011_10.D\data.ms190.0
89.1
51.1132.0
358.0224.7257.8 293.0
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2442 (10.060 min): 11112011_10.D\data.ms (-2384) (-)190.0
89.0
51.0131.9
224.2257.8 293.0 358.0
10.00 10.10
0
500000
1000000
Time-->
Abundance10.051
#113MethapyrilineConcen: 127.62 ng RT: 10.123 min Scan# 2462Delta R.T. 0.023 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion: 58 Resp:39988789Ion Ratio Lower Upper 58 100 97 61.3 0.0 0.0# 72 17.6 0.0 0.0#261 1.5 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2462 (10.122 min): 11112011_10.D\data.ms58.1
97.0
191.1261.1157.1 376.2225.9 304.0
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2462 (10.122 min): 11112011_10.D\data.ms (-2407) (-)58.1
97.0
191.1261.1157.1 225.9 300.9335.0 372.8
10.05 10.10 10.15 10.20
0
1000000
2000000
3000000
Time-->
Abundance10.121
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:29 2011 Page 55
#114IsodrinConcen: 112.01 ng RT: 10.304 min Scan# 2520Delta R.T. 0.011 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:193 Resp:19584092Ion Ratio Lower Upper193 100195 91.9 0.0 0.0# 66 70.9 0.0 0.0#364 2.9 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2520 (10.302 min): 11112011_10.D\data.ms193.0
66.1
262.9
147.0
111.0 227.9328.9363.9
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2520 (10.302 min): 11112011_10.D\data.ms (-2469) (-)193.0
66.0
262.9
146.9
111.0 227.9328.9 365.9
10.25 10.30 10.35
0
500000
1000000
1500000
Time-->
Abundance10.299
#115FluorantheneConcen: 96.75 ng RT: 10.467 min Scan# 2573Delta R.T. 0.019 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:202 Resp:164828951Ion Ratio Lower Upper202 100203 19.2 0.0 0.0#101 17.9 0.0 0.0#200 23.7 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2573 (10.467 min): 11112011_10.D\data.ms202.2
101.1
150.162.1 238.7 275.9 311.2 363.0
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2573 (10.467 min): 11112011_10.D\data.ms (-2519) (-)202.2
101.1
150.157.2 251.2 290.1 365.6
10.40 10.50
0
2000000
4000000
6000000
8000000
Time-->
Abundance10.457
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:29 2011 Page 56
#116BenzidineConcen: 105.21 ng RT: 10.606 min Scan# 2618Delta R.T. 0.030 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:184 Resp:99713802Ion Ratio Lower Upper184 100 92 10.3 0.0 0.0#184 100.0 80.0 120.0
Raw
Sub
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2618 (10.607 min): 11112011_10.D\data.ms184.1
92.1130.151.1 218.1252.8 290.7 329.0 375.0
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2618 (10.607 min): 11112011_10.D\data.ms (-2560) (-)184.1
92.1130.052.0 218.1 256.0 313.3
10.50 10.60 10.70
0
1000000
2000000
3000000
4000000
5000000
Time-->
Abundance10.601
#118PyreneConcen: 92.13 ng RT: 10.697 min Scan# 2647Delta R.T. 0.020 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:202 Resp:167107416Ion Ratio Lower Upper202 100203 20.4 0.0 0.0#200 24.3 0.0 0.0#101 21.6 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2647 (10.697 min): 11112011_10.D\data.ms202.2
101.1
150.162.1 239.2 277.1 319.0 375.1
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2647 (10.697 min): 11112011_10.D\data.ms (-2592) (-)202.2
101.1
150.063.0 239.2 276.1 319.0 376.2
10.60 10.70 10.80
0
2000000
4000000
6000000
8000000
Time-->
Abundance10.688
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:30 2011 Page 57
#119Aramite (isomer)Concen: 93.95 ng RT: 10.791 min Scan# 2677Delta R.T. -0.039 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:191 Resp: 4482560Ion Ratio Lower Upper191 100 57 128.7 0.0 0.0#185 185.3 0.0 0.0#334 31.2 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2677 (10.790 min): 11112011_10.D\data.ms185.0
63.0
135.1
319.1
244.2102.0 360.1278.1
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2677 (10.790 min): 11112011_10.D\data.ms (-2642) (-)185.0
63.0
135.0
319.1
244.2102.0 278.1 360.1
10.75 10.80 10.85
0
200000
400000
600000
Time-->
Abundance
10.788
#122DimethylaminoazobenzeneConcen: 114.68 ng RT: 10.981 min Scan# 2738Delta R.T. 0.018 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:120 Resp:49747944Ion Ratio Lower Upper120 100225 78.4 0.0 0.0# 77 51.9 0.0 0.0#105 26.0 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 350 4000
20
40
60
80
m/z-->
Abundance Scan 2738 (10.980 min): 11112011_10.D\data.ms120.1
225.2
77.1
39.1180.1 264.8 316.9 358.0 401.9
50 100 150 200 250 300 350 4000
20
40
60
80
m/z-->
Abundance Scan 2738 (10.980 min): 11112011_10.D\data.ms (-2684) (-)120.1
225.2
77.1
39.1181.1 354.7 401.9316.9264.8
10.90 11.00 11.10
0
1000000
2000000
3000000
Time-->
Abundance10.972
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:30 2011 Page 58
#123DichlorobenzilateConcen: 126.15 ng RT: 11.024 min Scan# 2752Delta R.T. 0.018 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:251 Resp:56555168Ion Ratio Lower Upper251 100139 94.3 0.0 0.0#253 63.7 0.0 0.0#111 41.4 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2752 (11.024 min): 11112011_10.D\data.ms251.1139.0
75.1
216.139.1 181.1 322.9 363.7284.1
50 100 150 200 250 300 3500
20
40
60
80
m/z-->
Abundance Scan 2752 (11.024 min): 11112011_10.D\data.ms (-2698) (-)251.1138.9
75.0
216.1181.139.0 287.1 325.0358.8
11.00 11.10
0
1000000
2000000
3000000
4000000
Time-->
Abundance11.018
#1243,3'-DimethylbenzidineConcen: 106.43 ng mRT: 11.390 min Scan# 2870Delta R.T. 0.045 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:212 Resp:192761900Ion Ratio Lower Upper212 100106 12.2 0.0 0.0#196 8.4 0.0 0.0#180 6.7 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 350 400 4500
20
40
60
80
m/z-->
Abundance Scan 2870 (11.390 min): 11112011_10.D\data.ms212.2
106.1
168.153.1 252.9 302.1 354.6 431.3
50 100 150 200 250 300 350 400 4500
20
40
60
80
m/z-->
Abundance Scan 2870 (11.390 min): 11112011_10.D\data.ms (-2807) (-)212.2
106.1
152.054.0 258.9300.1 354.6 431.3
11.20 11.40 11.60
0
2000000
4000000
6000000
Time-->
Abundance11.374
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:30 2011 Page 59
#125Butyl benzyl phthalateConcen: 112.14 ng RT: 11.373 min Scan# 2865Delta R.T. 0.033 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:149 Resp:88752525Ion Ratio Lower Upper149 100 91 68.9 0.0 0.0#206 20.8 0.0 0.0#312 0.1 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 350 400 4500
20
40
60
80
m/z-->
Abundance Scan 2865 (11.375 min): 11112011_10.D\data.ms212.2149.1
91.1
41.1252.9294.9 340.8 389.2 452.9
50 100 150 200 250 300 350 400 4500
20
40
60
80
m/z-->
Abundance Scan 2865 (11.375 min): 11112011_10.D\data.ms (-2806) (-)212.2149.0
91.1
41.0254.9 300.1340.8 389.2 452.9
11.30 11.40
0
1000000
2000000
3000000
4000000
Time-->
Abundance11.358
#126KeponeConcen: 131.67 ng mRT: 11.462 min Scan# 2893Delta R.T. 0.044 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:272 Resp:12704228Ion Ratio Lower Upper272 100274 0.0 0.0 0.0#355 0.0 0.0 0.0#455 0.0 0.0 0.0
Raw
Sub
50 100 150 200 250 300 350 400 4500
20
40
60
80
m/z-->
Abundance Scan 2893 (11.462 min): 11112011_10.D\data.ms271.8
212.1142.9
354.889.0 454.736.0 399.9
50 100 150 200 250 300 350 400 4500
20
40
60
80
m/z-->
Abundance Scan 2893 (11.462 min): 11112011_10.D\data.ms (-2831) (-)271.8
177.4
354.8118.9
63.0 454.7222.8 399.9
11.50 12.00
0
100000
200000
300000
400000
500000
Time-->
Abundance11.478
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:31 2011 Page 60
#127Bis(2-ethylhexyl)adipateConcen: 109.23 ng mRT: 11.428 min Scan# 2882Delta R.T. 0.010 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:129 Resp:79225796Ion Ratio Lower Upper129 100 57 46.7 0.0 0.0#147 14.4 0.0 0.0#259 1.6 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 350 400 4500
20
40
60
80
m/z-->
Abundance Scan 2882 (11.428 min): 11112011_10.D\data.ms129.1
57.1
241.2313.3175.1 358.9 419.2 491.4
50 100 150 200 250 300 350 400 4500
20
40
60
80
m/z-->
Abundance Scan 2882 (11.428 min): 11112011_10.D\data.ms (-2831) (-)129.0
57.0
241.2323.7176.3 371.1 419.8 491.4
11.40 11.50
0
1000000
2000000
3000000
4000000
5000000
Time-->
Abundance11.422
#1282-acetylaminofluoreneConcen: 131.68 ng mRT: 11.707 min Scan# 2972Delta R.T. 0.057 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:181 Resp:87749774Ion Ratio Lower Upper181 100180 0.0 0.0 0.0#223 0.0 0.0 0.0#152 0.0 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 350 400 4500
20
40
60
80
m/z-->
Abundance Scan 2972 (11.707 min): 11112011_10.D\data.ms181.1
223.1
43.1127.186.0 322.8 374.2 419.5265.8
50 100 150 200 250 300 350 400 4500
20
40
60
80
m/z-->
Abundance Scan 2972 (11.707 min): 11112011_10.D\data.ms (-2905) (-)181.1
223.1
43.0127.186.0 270.9 317.0 374.2 453.0
11.60 11.80 12.00
0
1000000
2000000
3000000
Time-->
Abundance11.687
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:31 2011 Page 61
#1293,3'-DichlorobenzidineConcen: 104.15 ng mRT: 12.062 min Scan# 3086Delta R.T. 0.047 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:252 Resp:68132247Ion Ratio Lower Upper252 100252 95.4 0.0 0.0#127 10.8 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 350 400 4500
20
40
60
80
m/z-->
Abundance Scan 3086 (12.062 min): 11112011_10.D\data.ms149.1
252.1
57.1
101.1200.1 339.9381.5 454.5293.2
50 100 150 200 250 300 350 400 4500
20
40
60
80
m/z-->
Abundance Scan 3086 (12.062 min): 11112011_10.D\data.ms (-3022) (-)149.0
252.1
57.1
101.1200.1 391.1 454.5293.1334.2
11.80 12.00 12.20 12.40
0
1000000
2000000
3000000
Time-->
Abundance12.057
#130Benz[a]anthraceneConcen: 100.69 ng mRT: 12.093 min Scan# 3096Delta R.T. 0.042 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:228 Resp:179390671Ion Ratio Lower Upper228 100226 10.3 0.0 0.0#114 5.3 0.0 0.0#101 3.2 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 350 400 4500
20
40
60
80
m/z-->
Abundance Scan 3096 (12.093 min): 11112011_10.D\data.ms228.2
114.1
174.163.0 358.8 452.7269.8 314.9
50 100 150 200 250 300 350 400 4500
20
40
60
80
m/z-->
Abundance Scan 3096 (12.093 min): 11112011_10.D\data.ms (-3034) (-)228.2
114.1
51.0 176.1 270.6 314.9356.9 452.7
12.00 12.10
0
2000000
4000000
6000000
8000000
Time-->
Abundance
12.074
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:31 2011 Page 62
#132Bis(2-ethylhexyl)phthalateConcen: 90.00 ng RT: 12.077 min Scan# 3091Delta R.T. 0.022 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:149 Resp:98638572Ion Ratio Lower Upper149 100167 28.0 0.0 0.0#279 5.9 0.0 0.0# 57 23.6 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 350 400 4500
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m/z-->
Abundance Scan 3091 (12.077 min): 11112011_10.D\data.ms149.1
228.1
57.1
279.2104.1344.8 391.9 458.6
50 100 150 200 250 300 350 400 4500
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m/z-->
Abundance Scan 3091 (12.077 min): 11112011_10.D\data.ms (-3036) (-)149.0
228.1
57.1
104.1 279.1375.3 452.6323.1
12.00 12.05 12.10
0
2000000
4000000
6000000
Time-->
Abundance12.069
#133ChryseneConcen: 107.66 ng mRT: 12.152 min Scan# 3115Delta R.T. 0.046 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:228 Resp:172895029Ion Ratio Lower Upper228 100226 19.7 0.0 0.0#229 13.8 0.0 0.0#114 10.5 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 350 400 4500
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m/z-->
Abundance Scan 3115 (12.152 min): 11112011_10.D\data.ms228.2
113.1
175.163.1 454.5352.7269.7
50 100 150 200 250 300 350 400 4500
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m/z-->
Abundance Scan 3115 (12.152 min): 11112011_10.D\data.ms (-3052) (-)228.2
113.1
39.0 175.1 277.1 321.9 455.1
12.10 12.20 12.30
0
2000000
4000000
6000000
8000000
Time-->
Abundance12.139
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:31 2011 Page 63
#134Di-n-octyl phthalateConcen: 114.55 ng RT: 13.056 min Scan# 3406Delta R.T. 0.021 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:149 Resp:213508785Ion Ratio Lower Upper149 100279 4.9 0.0 0.0#261 0.9 0.0 0.0#390 0.0 0.0 0.0#
Raw
Sub
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20
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m/z-->
Abundance Scan 3406 (13.056 min): 11112011_10.D\data.ms149.1
43.1279.2104.1 319.1 376.7189.0 430.4229.1
50 100 150 200 250 300 350 4000
20
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80
m/z-->
Abundance Scan 3406 (13.056 min): 11112011_10.D\data.ms (-3351) (-)149.0
43.0279.1104.1 375.1188.1 229.9 430.4317.9
13.00 13.20
0
2000000
4000000
6000000
8000000
Time-->
Abundance13.042
#135Benzo[b]fluorantheneConcen: 143.35 ng mRT: 13.812 min Scan# 3649Delta R.T. 0.084 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:252 Resp:265110326Ion Ratio Lower Upper252 100253 14.3 0.0 0.0#250 18.3 0.0 0.0#126 16.4 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 3500
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m/z-->
Abundance Scan 3649 (13.812 min): 11112011_10.D\data.ms252.2
126.1
75.1 200.1 391.140.1 161.1 288.2 352.8
50 100 150 200 250 300 3500
20
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60
80
m/z-->
Abundance Scan 3649 (13.812 min): 11112011_10.D\data.ms (-3574) (-)252.2
126.1
202.175.0 162.1 297.140.0 376.2
13.60 13.70 13.80
0
2000000
4000000
6000000
Time-->
Abundance
13.781
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:32 2011 Page 64
#1367,12-Dimethylbenzo[a]anthraceneConcen: 128.65 ng RT: 13.731 min Scan# 3623Delta R.T. 0.038 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:256 Resp:97234369Ion Ratio Lower Upper256 100241 60.3 0.0 0.0#119 0.0 0.0 0.0 257 21.7 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 350 4000
20
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m/z-->
Abundance Scan 3623 (13.731 min): 11112011_10.D\data.ms256.2
119.7
215.175.0 163.1 295.0 339.8 429.236.0
50 100 150 200 250 300 350 4000
20
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60
80
m/z-->
Abundance Scan 3623 (13.731 min): 11112011_10.D\data.ms (-3562) (-)256.1
119.7
215.1174.077.138.0 295.0 340.8 429.2
13.60 13.70 13.80
0
500000
1000000
1500000
Time-->
Abundance13.721
#137Benzo[k]fluorantheneConcen: 87.25 ng mRT: 13.855 min Scan# 3663Delta R.T. 0.081 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:252 Resp:144836338Ion Ratio Lower Upper252 100253 44.7 0.0 0.0#250 49.2 0.0 0.0#126 41.4 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 3500
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m/z-->
Abundance Scan 3663 (13.855 min): 11112011_10.D\data.ms252.2
126.1
199.174.040.0 161.1 285.9319.7 356.6
50 100 150 200 250 300 3500
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m/z-->
Abundance Scan 3663 (13.855 min): 11112011_10.D\data.ms (-3589) (-)252.2
126.1
84.0 211.1174.139.9 285.4318.8 362.1
13.80 13.90 14.00
0
2000000
4000000
6000000
Time-->
Abundance13.846
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:32 2011 Page 65
#138Benzo[a]pyreneConcen: 128.80 ng mRT: 14.359 min Scan# 3825Delta R.T. 0.067 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:252 Resp:210177865Ion Ratio Lower Upper252 100253 21.9 0.0 0.0#250 25.2 0.0 0.0#126 19.5 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 350 4000
20
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m/z-->
Abundance Scan 3825 (14.359 min): 11112011_10.D\data.ms252.1
126.1
200.187.044.0 294.0 341.1 431.0
50 100 150 200 250 300 350 4000
20
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m/z-->
Abundance Scan 3825 (14.359 min): 11112011_10.D\data.ms (-3755) (-)252.1
126.1
83.3 199.1 293.1 356.238.0
14.20 14.40 14.60
0
1000000
2000000
3000000
4000000
5000000
Time-->
Abundance14.330
#1393-methylcholanthreneConcen: 132.37 ng mRT: 15.033 min Scan# 4042Delta R.T. 0.070 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:268 Resp:114558103Ion Ratio Lower Upper268 100266 8.1 0.0 0.0#252 44.6 0.0 0.0#126 28.3 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 3500
20
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m/z-->
Abundance Scan 4042 (15.033 min): 11112011_10.D\data.ms268.2
126.1
226.187.2 189.152.9 356.7300.1
50 100 150 200 250 300 3500
20
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80
m/z-->
Abundance Scan 4042 (15.033 min): 11112011_10.D\data.ms (-3971) (-)268.1
126.1
226.163.0 189.194.5 300.1 333.9
15.00 15.50
0
500000
1000000
1500000
2000000
2500000
Time-->
Abundance15.000
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:32 2011 Page 66
#141Dibenz[a,j]acridineConcen: 116.68 ng mRT: 16.214 min Scan# 4422Delta R.T. 0.080 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:279 Resp:161492087Ion Ratio Lower Upper279 100280 22.7 0.0 0.0#140 0.0 0.0 0.0 125 9.1 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 350 400 4500
20
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m/z-->
Abundance Scan 4422 (16.214 min): 11112011_10.D\data.ms279.1
139.5
200.174.1 355.1 460.9
50 100 150 200 250 300 350 400 4500
20
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m/z-->
Abundance Scan 4422 (16.214 min): 11112011_10.D\data.ms (-4348) (-)279.1
139.5
225.174.1 321.2 375.1181.0 460.9
16.00 16.20 16.40
0
1000000
2000000
3000000
Time-->
Abundance16.179
#142Indeno[123-cd]pyreneConcen: 141.18 ng mRT: 16.659 min Scan# 4565Delta R.T. 0.133 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:276 Resp:219876293Ion Ratio Lower Upper276 100277 0.0 0.0 0.0#274 0.0 0.0 0.0#138 0.0 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 3500
20
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m/z-->
Abundance Scan 4565 (16.659 min): 11112011_10.D\data.ms276.1
138.1
91.4 224.1 320.8186.1 363.044.0
50 100 150 200 250 300 3500
20
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60
80
m/z-->
Abundance Scan 4565 (16.659 min): 11112011_10.D\data.ms (-4474) (-)276.1
138.0
224.191.4 346.0189.957.0 310.1
16.50 17.00
0
1000000
2000000
3000000
Time-->
Abundance16.610
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:33 2011 Page 67
#143Dibenz[a,h]anthraceneConcen: 115.39 ng mRT: 16.680 min Scan# 4572Delta R.T. 0.108 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:278 Resp:188272371Ion Ratio Lower Upper278 100279 21.8 0.0 0.0#276 0.0 0.0 0.0 139 9.5 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 3500
20
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m/z-->
Abundance Scan 4572 (16.680 min): 11112011_10.D\data.ms278.2
139.1
237.1200.192.7 324.1 362.255.9
50 100 150 200 250 300 3500
20
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m/z-->
Abundance Scan 4572 (16.680 min): 11112011_10.D\data.ms (-4489) (-)278.1
139.1
226.187.0 357.8191.145.7 313.0
16.50 17.00
0
1000000
2000000
3000000
4000000
Time-->
Abundance16.636
#144Benzo[ghi]peryleneConcen: 100.02 ng mRT: 17.171 min Scan# 4730Delta R.T. 0.107 minLab File: 11112011_10.DAcq: 11 Nov 2011 6:06 pm
Tgt Ion:276 Resp:163370213Ion Ratio Lower Upper276 100277 0.0 0.0 0.0 274 0.0 0.0 0.0#138 0.0 0.0 0.0#
Raw
Sub
50 100 150 200 250 300 350 4000
20
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m/z-->
Abundance Scan 4730 (17.171 min): 11112011_10.D\data.ms276.1
138.0
91.3 224.1 344.949.1 183.9 430.0
50 100 150 200 250 300 350 4000
20
40
60
80
m/z-->
Abundance Scan 4730 (17.171 min): 11112011_10.D\data.ms (-4647) (-)276.1
138.0
91.3 224.1183.9 324.839.9 368.1 429.1
17.00 17.50 18.00
0
1000000
2000000
3000000
Time-->
Abundance17.132
11112011_10.D 13623-qa serial 1054316.M Wed Dec 14 17:52:33 2011 Page 68