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Library Search Report

Data Path
Data File
Acq On
Operator
Sample
Misc
ALS Vial

:
:
:
:
:
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:

C:\msdchem\CORRIDAS\jessica-cicat\
MUESTRA5-PRELIMINAR6.D
12 May 2015 18:11
martha
muestra5-preliminar6
1

Sample Multiplier: 1

Search Libraries:

D:\DATABASE\W8.l

Minimum Quality:

70

Unknown Spectrum:
Apex
Integration Events: RTE Integrator - rteint.p
Abundance

TIC: MUESTRA5-PRELIMINAR6.D\data.ms
10.913

5.6e+07
5.4e+07

11.613

5.2e+07
5e+07

11.195
11.937

4.8e+07
4.6e+07
4.4e+07
4.2e+07
4e+07
3.8e+07

9.615

3.6e+07
3.4e+07
3.2e+07
3e+07
2.8e+07
2.6e+07
2.4e+07
2.2e+07
2e+07
11.470

1.8e+07
1.6e+07
1.4e+07
1.2e+07

8.723

1e+07
8000000
6000000

9.154
8.934
4.513

9.056

4000000
2000000
0
Time-->

4.00

6.00

8.00

10.00

12.00

GASES12-50.M Wed May 13 12:19:39 2015

14.00

16.00

18.00

20.00

22.00

24.00

26.00

28.00

30.00

Page: 1

Library Search Report - RTE Integrator


Unknown Spectrum based on Apex
Abundance

Scan 794 (4.513 min): MUESTRA5-PRELIMINAR6.D\data.ms


104.1

m/z 104.10

100.00%

132.1

5000

91.1
51.0

115.0

78.1

65.0

148.1

4.20 4.40 4.60 4.80

166.1 178.0

m/z 132.05

52.91%

m/z-->
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190
Abundance#20712: NAPHTHALENE, 1,2,3,4-TETRAHYDRO-; TETRALIN; .DELTA.(SUP 5,7,9)-NAPHTHANTRIENE; .DELTA.<5,7,9>-NAPHTHANTRIENE; 1,2,3, 4104.0
132.0
91.0

5000

4.20 4.40 4.60 4.80


27.0

39.0

51.0

78.0

65.0

m/z

115.0

91.10

40.41%

0
m/z-->
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190
Abundance#20704: NAPHTHALENE, 1,2,3,4-TETRAHYDRO-; TETRALIN; .DELTA.(SUP 5,7,9)-NAPHTHANTRIENE; .DELTA.<5,7,9>-NAPHTHANTRIENE; 1,2,3, 4104.0

27.0

39.0

51.0

m/z 115.00

16.65%

117.0

78.0

65.0

4.20 4.40 4.60 4.80

132.0

91.0

5000

0
m/z-->
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190
Abundance#391115: NAPHTHALENE, 1,2,3,4-TETRAHYDRO-; TETRALIN; .DELTA.(SUP 5,7,9)-NAPHTHANTRIENE; .DELTA.<5,7,9>-NAPHTHANTRIENE; 1,2,3, 4
4.20 4.40 4.60 4.80
104.0

m/z 117.10
91.0

5000
27.0

0
m/z-->

20

39.0

51.0

40

50

30

60

117.0

78.0

65.0
70

80

15.47%

132.0

90

100

110

120

130

140

150

160

170

180

190

4.20 4.40 4.60 4.80

Data File: C:\msdchem\CORRIDAS\jessica-cicat\MUESTRA5-PRELIMINAR6.D


Sample
: muestra5-preliminar6
Peak Number:

at

4.513 min

Area:

15982616

Area % 1.04

The 3 best hits from each library.


Ref\#
CAS\#
Qual
--------------------------------------------------------------------D:\DATABASE\W8.l
1 NAPHTHALENE, 1,2,3,4-TETRAHYDRO-...
20712 000119-64-2
97
2 NAPHTHALENE, 1,2,3,4-TETRAHYDRO-...
20704 000119-64-2
96
3 NAPHTHALENE, 1,2,3,4-TETRAHYDRO-...
391115 000119-64-2
96

GASES12-50.M Wed May 13 12:19:39 2015

Page: 2

Library Search Report - RTE Integrator


Unknown Spectrum based on Apex
Abundance

Scan 2172 (8.723 min): MUESTRA5-PRELIMINAR6.D\data.ms


92.1

m/z

92.10

100.00%

5000
188.1

55.1
105.1 117.1 131.1 145.1 159.1 171.1

66.1 77.1

199.9

8.40 8.60 8.80 9.00

m/z

91.10

45.68%

m/z-->
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
Abundance#71865: BENZENE, (2-CYCLOHEXYLETHYL)-; (2-CYCLOHEXYLETHYL)BENZENE #; (2-CYCLOHEXYLETHYL)-BENZENE; (2-CYCLOHEXYLETHYL)B
92.0

5000

55.0
41.0

8.40 8.60 8.80 9.00


105.0 117.0 128.0

66.0 77.0

m/z 188.10

188.0

23.76%

145.0 156.0 168.0

0
m/z-->
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
Abundance#71898: BENZENE, CYCLOHEXYLETHYL-; (2-CYCLOHEXYLETHYL)BENZENE #; (2-CYCLOHEXYLETHYL)BENZENE; (2-CYCLOHEXYLETHYL)BENZ
92.0
8.40 8.60 8.80 9.00

m/z

5000
55.0
27.0

41.0

105.0 117.0 128.0

66.0 77.0

55.10

22.37%

188.0
145.0 159.0 173.0

200.0

m/z-->
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
Abundance#71866: BENZENE, (2-CYCLOHEXYLETHYL)-; (2-CYCLOHEXYLETHYL)BENZENE #; (2-CYCLOHEXYLETHYL)-BENZENE; (2-CYCLOHEXYLETHYL)B
8.40 8.60 8.80 9.00
92.0
55.0
m/z 93.10
8.94%
5000

41.0
188.0

27.0
0
m/z-->

15.0
10

20

66.0
30

40

50

60

70

105.0

77.0
80

90

117.0 128.0

145.0 157.0

173.0

100 110 120 130 140 150 160 170 180 190 200 210

8.40 8.60 8.80 9.00

Data File: C:\msdchem\CORRIDAS\jessica-cicat\MUESTRA5-PRELIMINAR6.D


Sample
: muestra5-preliminar6
Peak Number:

at

8.723 min

Area:

29812196

Area % 1.93

The 3 best hits from each library.


Ref\#
CAS\#
Qual
--------------------------------------------------------------------D:\DATABASE\W8.l
1 BENZENE, (2-CYCLOHEXYLETHYL)-; (...
71865 001603-61-8
93
2 BENZENE, CYCLOHEXYLETHYL-; (2-CY...
71898 029188-43-0
91
3 BENZENE, (2-CYCLOHEXYLETHYL)-; (...
71866 001603-61-8
56

GASES12-50.M Wed May 13 12:19:39 2015

Page: 3

Library Search Report - RTE Integrator


Unknown Spectrum based on Apex
Abundance

Scan 2241 (8.934 min): MUESTRA5-PRELIMINAR6.D\data.ms


130.1 143.1

5000
51.1

65.1

77.0

91.1

100.00%

186.1

115.1

m/z 143.10

104.1

157.1

171.1

206.2

8.60 8.80 9.00 9.20

m/z 130.05

82.00%

m/z-->
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
Abundance#70131: 1H-INDENE, 3-BUTYL-1-METHYL-, (.+-.)-; 3-BUTYL-1-METHYL-1H-INDENE; 3-BUTYL-1-METHYL-1H-INDENE #; (1H)INDENE, 3-BUTYL-1-ME
143.0
128.0

5000

186.0
115.0
0
m/z-->
20
Abundance

41.0 51.0
30

77.0

63.0

157.0

91.0 102.0

42.40%

171.0

40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
#56114: 1H-INDENE, 1-METHYL-3-PROPYL-, (-)-; 1-METHYL-3-PROPYLL-1H-INDENE
143.0
8.60 8.80 9.00 9.20

128.0

5000

m/z 129.05

77.0

63.0

38.84%

172.0

115.0
41.0 51.0

8.60 8.80 9.00 9.20

m/z 128.05

91.0 102.0

157.0

m/z-->
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
Abundance#57590: 1,4-ETHANONAPHTHALEN-2-OL, 1,2,3,4-TETRAHYDRO-, (1.ALPHA.,2.BETA.,4.ALPHA.)-; 1,4-ETHANONAPHTHALEN-2-OL, 1,2,3,4-TETRAH
8.60 8.80 9.00 9.20
130.0

m/z 186.10

37.00%

5000
27.0

0
m/z-->

20

30

39.0

51.0

40

50

174.0

115.0
77.0

63.0
60

70

80

91.0 102.0
90

141.0

156.0

100 110 120 130 140 150 160 170 180 190 200 210

8.60 8.80 9.00 9.20

Data File: C:\msdchem\CORRIDAS\jessica-cicat\MUESTRA5-PRELIMINAR6.D


Sample
: muestra5-preliminar6
Peak Number:

at

8.934 min

Area:

16815024

Area % 1.09

The 3 best hits from each library.


Ref\#
CAS\#
Qual
--------------------------------------------------------------------D:\DATABASE\W8.l
1 1H-INDENE, 3-BUTYL-1-METHYL-, (....
70131 111400-84-1
58
2 1H-INDENE, 1-METHYL-3-PROPYL-, (...
56114 111400-91-0
43
3 1,4-ETHANONAPHTHALEN-2-OL, 1,2,3...
57590 013153-78-1
43

GASES12-50.M Wed May 13 12:19:40 2015

Page: 4

Library Search Report - RTE Integrator


Unknown Spectrum based on Apex
Abundance

Scan 2281 (9.056 min): MUESTRA5-PRELIMINAR6.D\data.ms


104.1

m/z 104.10

100.00%

186.1

129.1

5000
115.1
51.1

65.1

143.1
158.1 171.1

80.1 91.1

206.1

8.80 9.00 9.20 9.40

m/z 186.10

78.82%

m/z-->
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
Abundance#70077: BENZ[F]AZULENE, 1,2,3,3A,4,9,10,10A-OCTAHYDRO-; 1,2,3,3A,4,9,10,10A-OCTAHYDROBENZO[F]AZULENE #; 1,2,3,3A,4,9,10,10A-OCTAH
104.0
186.0
5000

8.80 9.00 9.20 9.40


27.0

67.0

41.0 51.0

77.0

115.0 129.0 143.0

91.0

m/z 105.10

67.84%

158.0 171.0

0
m/z-->
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
Abundance#70078: BENZ[F]AZULENE, 1,2,3,3A,4,9,10,10A-OCTAHYDRO-; 1,2,3,3A,4,9,10,10A-OCTAHYDROBENZO[F]AZULENE #; 1,2,3,3A,4,9,10,10A-OCTAH
105.0
28.0
8.80 9.00 9.20 9.40
186.0
m/z 129.05
51.27%
5000
77.0
91.0
117.0 129.0 143.0 158.0 171.0
44.0 55.0 66.0
0
m/z-->
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
Abundance#378904: 1,2,3,4,4A,9,9A,10-OCTAHYDROANTHRACENE; 1,2,3,4,4A,9,9A,10-OCTAHYDROANTHRACENE #; ANTHRACENE, 1,2,3,4,4A,9,9A,10-OCT
8.80 9.00 9.20 9.40
104.0

m/z 128.05
186.0

5000
27.0

0
m/z-->

41.41%

20

30

41.0 51.0
40

50

81.0
65.0
60

70

80

94.0
90

115.0 129.0 143.0


157.0 171.0

100 110 120 130 140 150 160 170 180 190 200 210

8.80 9.00 9.20 9.40

Data File: C:\msdchem\CORRIDAS\jessica-cicat\MUESTRA5-PRELIMINAR6.D


Sample
: muestra5-preliminar6
Peak Number:

at

9.056 min

Area:

12578684

Area % 0.82

The 3 best hits from each library.


Ref\#
CAS\#
Qual
--------------------------------------------------------------------D:\DATABASE\W8.l
1 BENZ[F]AZULENE, 1,2,3,3A,4,9,10,...
70077 054798-84-4
86
2 BENZ[F]AZULENE, 1,2,3,3A,4,9,10,...
70078 054798-84-4
76
3 1,2,3,4,4A,9,9A,10-OCTAHYDROANTH...
378904 007389-11-9
58

GASES12-50.M Wed May 13 12:19:40 2015

Page: 5

Library Search Report - RTE Integrator


Unknown Spectrum based on Apex
Abundance

Scan 2313 (9.154 min): MUESTRA5-PRELIMINAR6.D\data.ms


145.1

5000

131.1
57.1

0
m/z-->
20
Abundance

30

40

50

60

77.0

91.1

104.1

100.00%

188.1

115.1
159.1 171.1

200.0 211.1 226.1

8.80 9.00 9.20 9.40

m/z 131.05

39.01%

70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230
#71880: 6-N-BUTYL-1,2,3,4-TETRAHYDRONAPHTHALENE
145.0

5000

131.0
41.0

m/z 145.10

53.0 65.0 77.0

91.0

105.0

188.0

8.80 9.00 9.20 9.40

m/z 188.10

117.0

33.52%

159.0 173.0

0
m/z-->
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230
Abundance#388093: 6-BUTYL-1,2,3,4-TETRAHYDRONAPHTHALENE #; 2-BUTYL-5,6,7,8-TETRAHYDRONAPHTHALENE; 6-BUTYL-1,2,3,4-TETRAHYDRONAPHT
145.0
8.80 9.00 9.20 9.40
5000

m/z 146.05

131.0
27.0

41.0 53.0 65.0 77.0

91.0

105.0

28.00%

188.0

117.0
173.0

m/z-->
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230
Abundance#71877: 5-BUTYL-1,2,3,4-TETRAHYDRONAPHTHALENE #; 5-BUTYL-1,2,3,4-TETRAHYDRONAPHTHALENE; 5-BUTYL-1,2,3,4-TETRAHYDRONAPHTH
8.80 9.00 9.20 9.40
145.0

m/z 115.10

131.0
5000

188.0
27.0

0
m/z-->

16.18%

20

30

115.0

41.0 53.0 65.0 77.0

91.0

40

90 100 110 120 130 140 150 160 170 180 190 200 210 220 230

50

60

70

80

104.0

159.0 173.0
8.80 9.00 9.20 9.40

Data File: C:\msdchem\CORRIDAS\jessica-cicat\MUESTRA5-PRELIMINAR6.D


Sample
: muestra5-preliminar6
Peak Number:

at

9.154 min

Area:

15728407

Area % 1.02

The 3 best hits from each library.


Ref\#
CAS\#
Qual
--------------------------------------------------------------------D:\DATABASE\W8.l
1 6-N-BUTYL-1,2,3,4-TETRAHYDRONAPH...
71880 000000-00-0
98
2 6-BUTYL-1,2,3,4-TETRAHYDRONAPHTH...
388093 030654-45-6
98
3 5-BUTYL-1,2,3,4-TETRAHYDRONAPHTH...
71877 066325-42-6
96

GASES12-50.M Wed May 13 12:19:41 2015

Page: 6

Library Search Report - RTE Integrator


Unknown Spectrum based on Apex
Abundance

Scan 2464 (9.615 min): MUESTRA5-PRELIMINAR6.D\data.ms


57.2

m/z

57.20

100.00%

71.2
85.1

5000
99.1
0

113.1 127.1 141.2 155.2


169.2 183.2 197.2 211.2 226.2

9.20 9.40 9.60 9.80 10.00

m/z

71.20

77.99%

m/z-->
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230
Abundance#114828: HEXADECANE; AI3-06522; BRN 1736592; CCRIS 5833; CETANE; EINECS 208-878-9; HEXADECAN; HSDB 6854; ISOHEXADECANE; N-CET
43.0 57.0 71.0
85.0

5000

9.20 9.40 9.60 9.80 10.00


99.0

0
m/z-->
20
Abundance

30

40

50

60

70

80

113.0 127.0 141.0 155.0 169.0


183.0 197.0

m/z

85.10

56.03%

226.0

90 100 110 120 130 140 150 160 170 180 190 200 210 220 230
#376677: HEXADECANE; HEXADECAN

57.0
71.0

m/z
99.0

29.0

9.20 9.40 9.60 9.80 10.00

85.0

43.0

5000

113.0 127.0 141.0 155.0 169.0


183.0 197.0

55.10

23.99%

226.0

m/z-->
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230
Abundance#114826: HEXADECANE; AI3-06522; BRN 1736592; CCRIS 5833; CETANE; EINECS 208-878-9; HEXADECAN; HSDB 6854; ISOHEXADECANE; N-CET
9.20 9.40 9.60 9.80 10.00
43.0 57.0

m/z
71.0

5000
29.0
20

30

99.0 113.0
127.0 141.0 155.0 169.0 182.0 197.0
40

50

60

70

17.82%

85.0

0
m/z-->

56.20

80

226.0

90 100 110 120 130 140 150 160 170 180 190 200 210 220 230

9.20 9.40 9.60 9.80 10.00

Data File: C:\msdchem\CORRIDAS\jessica-cicat\MUESTRA5-PRELIMINAR6.D


Sample
: muestra5-preliminar6
Peak Number:

at

9.615 min

Area: 246413472

Area % 15.99

The 3 best hits from each library.


Ref\#
CAS\#
Qual
--------------------------------------------------------------------D:\DATABASE\W8.l
1 HEXADECANE; AI3-06522; BRN 17365...
114828 000544-76-3
98
2 HEXADECANE; HEXADECAN
376677 000000-00-0
97
3 HEXADECANE; AI3-06522; BRN 17365...
114826 000544-76-3
97

GASES12-50.M Wed May 13 12:19:41 2015

Page: 7

Library Search Report - RTE Integrator


Unknown Spectrum based on Apex
Abundance

Scan 2889 (10.913 min): MUESTRA5-PRELIMINAR6.D\data.ms


180.1

m/z 180.10

100.00%

158.1
5000
51.1 63.1

76.1

89.1

115.1

129.1 145.1

102.1

198.1

216.1

10.60 10.80 11.00 11.20

m/z 179.10

77.75%

m/z-->
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230
Abundance#388620: ANTHRACENE, 1,2,3,4,5,6,7,8-OCTAHYDRO-; 1,2,3,4,5,6,7,8-OCTAHYDROANTHRACENE; ANTHRACENE, 1,2,3,4,5,6,7,8-OCTAHYDRO; A
158.0
186.0

5000

129.0
115.0

27.0 39.0
51.0 63.0

77.0

10.60 10.80 11.00 11.20

145.0

m/z 186.20

91.0 103.0

72.67%

171.0

0
m/z-->
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230
Abundance#70086: PHENANTHRENE, 1,2,3,4,5,6,7,8-OCTAHYDRO-; 1,2,3,4,5,6,7,8-OCTAHYDROPHENANTHRENE; 1,2,3,4,5,6,7, 8-OCTAHYDROPHENANTHR
186.0
158.0
10.60 10.80 11.00 11.20
m/z 158.10
64.17%
5000
129.0 145.0
115.0
27.0 39.0
51.0 63.0 77.0 91.0 103.0
15.0
171.0
0
m/z-->
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230
Abundance#70079: ANTHRACENE, 1,2,3,4,5,6,7,8-OCTAHYDRO-; 1,2,3,4,5,6,7,8-OCTAHYDROANTHRACENE; ANTHRACENE, 1,2,3,4,5,6,7,8-OCTAHYDRO; AN
10.60 10.80 11.00 11.20
158.0
186.0

m/z 178.10
5000

115.0
51.0

65.0 77.0

0
m/z-->

10

20

30

40

50

60

70

80

50.35%

128.0
143.0

91.0
171.0

103.0

90 100 110 120 130 140 150 160 170 180 190 200 210 220 230

10.60 10.80 11.00 11.20

Data File: C:\msdchem\CORRIDAS\jessica-cicat\MUESTRA5-PRELIMINAR6.D


Sample
: muestra5-preliminar6
Peak Number:

at

10.913 min

Area: 344289385

Area % 22.35

The 3 best hits from each library.


Ref\#
CAS\#
Qual
--------------------------------------------------------------------D:\DATABASE\W8.l
1 ANTHRACENE, 1,2,3,4,5,6,7,8-OCTA...
388620 001079-71-6
95
2 PHENANTHRENE, 1,2,3,4,5,6,7,8-OC...
70086 005325-97-3
95
3 ANTHRACENE, 1,2,3,4,5,6,7,8-OCTA...
70079 001079-71-6
95

GASES12-50.M Wed May 13 12:19:41 2015

Page: 8

Library Search Report - RTE Integrator


Unknown Spectrum based on Apex
Abundance

Scan 2981 (11.195 min): MUESTRA5-PRELIMINAR6.D\data.ms


186.2
158.2
129.1

5000

m/z 186.20

100.00%

145.1

115.1
77.1

51.1 63.1

91.1

171.1

103.1

200.0

216.2

10.80 11.00 11.20 11.40 11.60

m/z 158.20

85.55%

m/z-->
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230
Abundance#70086: PHENANTHRENE, 1,2,3,4,5,6,7,8-OCTAHYDRO-; 1,2,3,4,5,6,7,8-OCTAHYDROPHENANTHRENE; 1,2,3,4,5,6,7, 8-OCTAHYDROPHENANTHR
186.0
158.0
5000
15.0

27.0 39.0

115.0
51.0 63.0

77.0

91.0

129.0

145.0

10.80 11.00 11.20 11.40 11.60

m/z 145.05

44.66%

171.0

103.0

0
m/z-->
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230
Abundance#70079: ANTHRACENE, 1,2,3,4,5,6,7,8-OCTAHYDRO-; 1,2,3,4,5,6,7,8-OCTAHYDROANTHRACENE; ANTHRACENE, 1,2,3,4,5,6,7,8-OCTAHYDRO; AN
158.0
186.0

5000

115.0
51.0

65.0 77.0

10.80 11.00 11.20 11.40 11.60

128.0

m/z 129.05

143.0

43.84%

91.0
171.0

103.0

m/z-->
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230
Abundance#388620: ANTHRACENE, 1,2,3,4,5,6,7,8-OCTAHYDRO-; 1,2,3,4,5,6,7,8-OCTAHYDROANTHRACENE; ANTHRACENE, 1,2,3,4,5,6,7,8-OCTAHYDRO; A
10.80 11.00 11.20 11.40 11.60
158.0
186.0

m/z 143.05
5000

129.0
27.0 39.0
51.0 63.0

0
m/z-->

115.0

10

20

30

40

50

60

77.0
70

80

42.69%

145.0

91.0 103.0

171.0

90 100 110 120 130 140 150 160 170 180 190 200 210 220 230

10.80 11.00 11.20 11.40 11.60

Data File: C:\msdchem\CORRIDAS\jessica-cicat\MUESTRA5-PRELIMINAR6.D


Sample
: muestra5-preliminar6
Peak Number:

at

11.195 min

Area: 182431637

Area % 11.84

The 3 best hits from each library.


Ref\#
CAS\#
Qual
--------------------------------------------------------------------D:\DATABASE\W8.l
1 PHENANTHRENE, 1,2,3,4,5,6,7,8-OC...
70086 005325-97-3
99
2 ANTHRACENE, 1,2,3,4,5,6,7,8-OCTA...
70079 001079-71-6
98
3 ANTHRACENE, 1,2,3,4,5,6,7,8-OCTA...
388620 001079-71-6
98

GASES12-50.M Wed May 13 12:19:42 2015

Page: 9

Library Search Report - RTE Integrator


Unknown Spectrum based on Apex
Abundance

Scan 3071 (11.470 min): MUESTRA5-PRELIMINAR6.D\data.ms


182.1

m/z 182.10

100.00%

154.1

5000

141.1
76.0
51.1 63.1

0
m/z-->
20
Abundance

30

167.1

115.1 128.1
89.1
102.1

200.1

225.3

11.20 11.40 11.60 11.80

m/z 154.10

52.07%

40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230
#65969: 1,2,3,4-TETRAHYDRO-ANTHRACENE; TETRAHYDROANTHRACENE (1,2,3,4)
182.0

5000

141.0
27.0 39.0 51.0 63.0

76.0

154.0
11.20 11.40 11.60 11.80

167.0
89.0

102.0

m/z 141.05

115.0 128.0

39.83%

0
m/z-->
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230
Abundance#387555: ANTHRACENE, 1,2,3,4-TETRAHYDRO-; 1,2,3,4-TETRAHYDROANTHRACENE; 1,2,3,4-TETRAHYDROANTHRACENE #; 1,2,3,4-TETRAHYDR
182.0

5000

141.0
27.0 39.0 51.0 63.0

76.0

11.20 11.40 11.60 11.80

154.0

m/z 167.10

30.20%

167.0
89.0

102.0

115.0 128.0

m/z-->
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230
Abundance#65993: ANTHRACENE, 1,2,3,4-TETRAHYDRO-; 1,2,3,4-TETRAHYDROANTHRACENE; 1,2,3,4-TETRAHYDROANTHRACENE #; 1,2,3,4-TETRAHYDR
11.20 11.40 11.60 11.80
182.0

m/z 165.10
5000
141.0

29.80%

154.0
167.0

0
m/z-->

20

30

40

50

60

70

80

90 100 110 120 130 140 150 160 170 180 190 200 210 220 230

11.20 11.40 11.60 11.80

Data File: C:\msdchem\CORRIDAS\jessica-cicat\MUESTRA5-PRELIMINAR6.D


Sample
: muestra5-preliminar6
Peak Number:

at

11.470 min

Area:

57922109

Area % 3.76

The 3 best hits from each library.


Ref\#
CAS\#
Qual
--------------------------------------------------------------------D:\DATABASE\W8.l
1 1,2,3,4-TETRAHYDRO-ANTHRACENE; T...
65969 000000-00-0
93
2 ANTHRACENE, 1,2,3,4-TETRAHYDRO-;...
387555 002141-42-6
93
3 ANTHRACENE, 1,2,3,4-TETRAHYDRO-;...
65993 002141-42-6
93

GASES12-50.M Wed May 13 12:19:42 2015

Page: 10

Library Search Report - RTE Integrator


Unknown Spectrum based on Apex
Abundance

Scan 3118 (11.613 min): MUESTRA5-PRELIMINAR6.D\data.ms


182.2
154.1

5000

m/z 182.20

100.00%

141.1
167.1
50.1 63.1

76.1 89.1

102.1

115.1 128.1

200.2 214.0 227.3

267.1

11.20 11.40 11.60 11.80 12.00

m/z 154.10

85.75%

m/z-->
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
Abundance#65970: PHENANTHRENE, 1,2,3,4-TETRAHYDRO-; 1,2,3,4-TETRAHYDROPHENANTHRENE; 1,2,3, 4-TETRAHYDROPHENANTHRENE; 1,2,3,4-TETR
154.0
182.0

5000
141.0
76.0 89.0

115.0 128.0

11.20 11.40 11.60 11.80 12.00

167.0

m/z 153.05

44.50%

0
m/z-->
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
Abundance#383790: PHENANTHRENE, 1,2,3,4-TETRAHYDRO-; 1,2,3,4-TETRAHYDROPHENANTHRENE; 1,2,3, 4-TETRAHYDROPHENANTHRENE; 1,2,3,4-TET
182.0
154.0
11.20 11.40 11.60 11.80 12.00
5000

m/z 141.05

141.0
26.0 39.0

41.98%

167.0

63.0 76.0 89.0 102.0 115.0 128.0

0
m/z-->
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
Abundance#65971: PHENANTHRENE, 1,2,3,4-TETRAHYDRO-; 1,2,3,4-TETRAHYDROPHENANTHRENE; 1,2,3, 4-TETRAHYDROPHENANTHRENE; 1,2,3,4-TETR
11.20 11.40 11.60 11.80 12.00
154.0
182.0

m/z 165.10

34.98%

141.0

5000
115.0

167.0

0
m/z-->

20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270

11.20 11.40 11.60 11.80 12.00

Data File: C:\msdchem\CORRIDAS\jessica-cicat\MUESTRA5-PRELIMINAR6.D


Sample
: muestra5-preliminar6
Peak Number:

10

at

11.613 min

Area: 238558666

Area % 15.48

The 3 best hits from each library.


Ref\#
CAS\#
Qual
--------------------------------------------------------------------D:\DATABASE\W8.l
1 PHENANTHRENE, 1,2,3,4-TETRAHYDRO...
65970 001013-08-7
98
2 PHENANTHRENE, 1,2,3,4-TETRAHYDRO...
383790 001013-08-7
95
3 PHENANTHRENE, 1,2,3,4-TETRAHYDRO...
65971 001013-08-7
87

GASES12-50.M Wed May 13 12:19:43 2015

Page: 11

Library Search Report - RTE Integrator


Unknown Spectrum based on Apex
Abundance

Scan 3224 (11.937 min): MUESTRA5-PRELIMINAR6.D\data.ms


178.2

5000

76.1 89.1

m/z 178.20

100.00%

152.1

11.60 11.80 12.00 12.20


62.1
111.0 126.1
165.1
196.2 214.9228.1
252.0265.0 280.9
0
m/z 176.10
54.98%
m/z-->
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290
Abundance#61527: PHENANTHRENE; AI3-00790; AIDS-017523; CCRIS 1233; COAL TAR PITCH VOLATILES: PHENANTHRENE; EINECS 201-581-5; HSDB 2166
178.0

5000

11.60 11.80 12.00 12.20


76.0 89.0

51.0

126.0

m/z 179.10

152.0

46.88%

0
m/z-->
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290
Abundance#61497: 9H-FLUORENE, 9-METHYLENE-; 9-METHYLENE-9H-FLUORENE #; 9-METHYLENE-9H-FLUORENE; 9-METHYLENE-FLUORENE
178.0
11.60 11.80 12.00 12.20

m/z 177.20

5000

33.47%

76.0 89.0

152.0
126.0
0
m/z-->
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290
Abundance#396593: ANTHRACENE; AI3-00155; ANTHRACEN; ANTHRACEN [GERMAN]; ANTHRACENE OIL; ANTHRACENE OIL (COAL TAR FRACTION); ANTH
11.60 11.80 12.00 12.20
178.0

m/z

76.10

32.82%

5000
76.0

m/z-->

89.0

152.0
43.0
62.0
111.0 126.0
0
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290

11.60 11.80 12.00 12.20

Data File: C:\msdchem\CORRIDAS\jessica-cicat\MUESTRA5-PRELIMINAR6.D


Sample
: muestra5-preliminar6
Peak Number:

11

at

11.937 min

Area: 380196335

Area % 24.68

The 3 best hits from each library.


Ref\#
CAS\#
Qual
--------------------------------------------------------------------D:\DATABASE\W8.l
1 PHENANTHRENE; AI3-00790; AIDS-01...
61527 000085-01-8
89
2 9H-FLUORENE, 9-METHYLENE-; 9-MET...
61497 004425-82-5
86
3 ANTHRACENE; AI3-00155; ANTHRACEN...
396593 000120-12-7
76

GASES12-50.M Wed May 13 12:19:43 2015

Page: 12

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