P0T0F2

Qualitative Analysis Report
Analyzed by
Analyzed
Sample Type
Level #
Sample Name
Sample ID
IS Amount
Sample Amount
:
:
:
:
:
:
:
:
Admin
2/3/2015 8:31:39 AM
Unknown
1
Dilution Factor
Vial #
Injection Volume
Modified by
Modified
Data File
Method File
Tuning File
: C:\GCMSsolution\Data\Project1\P0T0F2.qgd
: C:\GCMSsolution\Data\Project1\pah3.qgm
: C:\GCMSsolution\System\Tune1\2014\2015\02-02-2015 pah3.qgt
:
:
:
:
:
1 / 30
1
2
1.00
Admin
2/3/2015 1:38:58 PM
[1]=1
1
Chromatogram
TIC
19
16
24
18
26
25
13
9
10
11
17
14
23
15
22
21
12
20
25,000,000
10.0
20.0
30.0
40.0
50.0
===== Analytical Line 1 =====
===== Analytical Line 1 =====
[GC-2010]
Column Oven Temp.
Injection Temp.
Injection Mode
Flow Control Mode
Pressure
Total Flow
Column Flow
Linear Velocity
Purge Flow
Split Ratio
High Pressure Injection
Carrier Gas Saver
Splitter Hold
Oven Temp. Program
Rate
6.00
[GCMS-QP2010 Plus]
IonSourceTemp
Interface Temp.
Solvent Cut Time
Detector Gain Mode
Detector Gain
Threshold
Equilibrium Time
:50.0 C
:210.00 C
:Split
:Linear Velocity
:90.7 kPa
:158.4 mL/min
:1.54 mL/min
:45.0 cm/sec
:3.0 mL/min
:100.0
:OFF
:OFF
:OFF
Temperature(C)
50.0
300.0
:3.0 min
Hold Time(min)
1.00
20.00
60.0
min
:230.00 C
:250.00 C
:3.00 min
:Relative
:+0.00 kV
:1000
[MS Table]
--Group 1 - Event 1-Start Time
:3.00min
End Time
:60.00min
ACQ Mode
:Scan
Event Time
:0.50sec
Scan Speed
:1250
Start m/z
:45.00
End m/z
:600.00
Sample Inlet Unit
:GC
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
2 / 30
Chromatogram C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
TIC
20,000,000
6.0
7.0
8.0
9.0
10.0
11.0
12.0
13.0
14.0
15.0
16.0
17.0
18.0
19.0
20.0
min
TIC
20
24
18
26
25
13
11
10
17
14
23
15
22
21
12
16
19
20,000,000
20.0
30.0
40.0
min
TIC
20,000,000
40.0
50.0
60.0
min
Analyzed by
Analyzed
Sample Type
Level #
Sample Name
Sample ID
IS Amount
Sample Amount
:
:
:
:
:
:
:
:
Admin
2/3/2015 8:31:39 AM
Unknown
1
Dilution Factor
Vial #
Injection Volume
Modified by
Modified
Data File
Method File
Tuning File
:
:
:
:
:
3 / 30
1
2
1.00
Admin
2/3/2015 1:38:58 PM
[1]=1
1
Peak Table
Peak Report TIC
Peak#
R.Time
Area
6.946
1814204
0.31 Undecane (CAS) n-Undecane
9.233
7001041
1.19 Dodecane
11.497
16888953
2.88 Tetradecane (CAS) n-Tetradecane
13.673
18945936
3.23 Tetradecane (CAS) n-Tetradecane
15.749
18035489
3.08 Pentadecane
17.720
21538571
3.67 Hexadecane
19.597
40947608
6.98 Heptadecane
21.379
40414532
6.89 Eicosane
21.477
20123331
3.43 Octadecane (CAS) n-Octadecane
10
21.956
15220351
2.60 Dibenzothiophene, 3-methyl-
11
22.319
11924828
2.03 Dibenzothiophene, 3-methyl-
12
23.082
49003798
8.36 Eicosane
13
23.596
12116954
2.07 2,8-Dimethyldibenzo(b,d)thiophene
14
23.962
28643848
4.88 2,8-Dimethyldibenzo(b,d)thiophene
15
24.294
31221279
5.32 Naphtho[2,3-b]thiophene, 4,9-dimethyl-
16
24.707
46581448
7.94 Eicosane
17
24.862
13830896
2.36 Phenanthrene, 2,5-dimethyl-
18
25.396
8334741
19
26.262
34667674
20
27.748
36746643
21
29.178
32951515
22
30.549
28699978
4.89 Tetracosane
23
31.867
19205150
3.27 Tetracosane
24
33.141
14607615
2.49 Tetracosane
25
34.367
9861376
1.68 Tetracosane (CAS) n-Tetracosane
26
35.553
7091096
1.21 Tetracosane (CAS) n-Tetracosane
586418855
Area% Name
1.42 Benzenamine, 4,4'-methylenebis[2-methyl-
100.00
Analyzed by
Analyzed
Sample Type
Level #
Sample Name
Sample ID
IS Amount
Sample Amount
:
:
:
:
:
:
:
:
Admin
2/3/2015 8:31:39 AM
Unknown
1
Dilution Factor
Vial #
Injection Volume
Modified by
Modified
:
:
:
:
:
4 / 30
1
2
1.00
Admin
2/3/2015 1:38:58 PM
[1]=1
1
Similarity
Search Results
Data File
Method File
Tuning File
<< TARGET SPECTRUM >>

Peak No.:1 R.Time: 6.942 min
100
57
71
85
55
98
113
45
10
30
Hit#: 1
CompName:
100
50
70
90
156
127
110
153
130
150
302
170
190
210
Similarity Index: 92
Library:WILEY7.LIB
Formula: C11 H24 CAS: 1120-21-4
Undecane (CAS) n-Undecane $$ Hendecane $$ n-C11H24 $$ UN 2330 $$
230
250
270
290
MolWeight:156
57
43
71
41
Me (CH 2 ) 9 Me
85
156
27
10
98
30
Hit#: 2
CompName:
100
50
70
90
113
127
110
130
Library:WILEY7.LIB
Octane, 5-ethyl-2-methyl- (CAS)
150
170
Formula: C11 H24
190
210
CAS: 62016-18-6
230
250
270
290
MolWeight:156
43
57
71
Me 2 CH CH 2 CH 2 CHPrEt
85
41
27
98
10
30
Hit#: 3
CompName:
100
50
70
90
112
110
127
156
130
150
170
Library:NIST147.LIB
Formula: C11H24
Octane, 5-ethyl-2-methyl- $$ 5-Ethyl-2-methyloctane # $$
190
210
CAS: 62016-18-6
230
250
270
290
270
290
MolWeight:156
43
57
71
85
41
27
98
10
Hit#: 4
CompName:
100
30
50
70
90
112
110
127
156
130
150
170
190
210
Library:WILEY7.LIB
Formula: C11 H24 CAS: 1120-21-4
Undecane (CAS) n-Undecane $$ Hendecane $$ n-C11H24 $$ UN 2330 $$
230
250
MolWeight:156
57
43
71
Me (CH 2 ) 9 Me
85
29
10
30
41
99
50
70
90
113
110
156
127
130
150
170
190
210
230
250
270
290
5 / 30

100
57
71
85
55
98
113
45
10
30
Hit#: 5
CompName:
100
50
70
90
156
127
110
153
130
Library:WILEY7.LIB
Undecane, 4,7-dimethyl- (CAS)
150
302
170
Formula: C13 H28
190
210
CAS: 17301-32-5
230
250
270
290
MolWeight:184
43
57
PrCHMe CH 2 CH 2 CHMe (CH 2 ) 3 Me
71
85
41
27
99
10
30
50
70
90
113
110
127
130
141
155
150
184
170
190
210
230
250
270
290
6 / 30

100
57
71
85
55
98
112
127
49
20
40
Hit#: 1
CompName:
100
60
80
100
Dodecane
43
120
170
166
141
140
160
Library:NIST27.LIB
182
180
197
200
Formula: C12H26
222
220
267
240
CAS: 112-40-3
260
356
280
300
320
340
300
320
340
MolWeight:170
57
71
41
85
98
27
20
40
Hit#: 2
CompName:
100
60
80
100
127
120
170
141
140
160
180
200
Library:WILEY7.LIB
Formula: C14 H30
Tetradecane (CAS) n-Tetradecane $$ Isotetradecane $$
43
57
240
260
280
MolWeight:198
85
Me (CH 2 ) 12 Me
99
39
40
220
CAS: 629-59-4
71
41
20
112
60
80
113
100
127
120
141
140
155
198
169
160
180
200
220
240
260
280
300
320
340
Hit#: 3
Library:WILEY7.LIB
Formula: C12 H26 CAS: 112-40-3
MolWeight:170
CompName: Dodecane (CAS) n-Dodecane $$ Ba 51-090453 $$ Adakane 12 $$ Isododecane $$ CH3(CH2)10CH3 $$ Bihexyl $$ Dihexyl $$ n-Dodecane m
in $$ N-Dodecan $$ Duodecane $$ ACETIC ACID 3-HYDROXY-7-ISOPROPENYL-1,4A-DIMETHYL-2,3,4,4A,5,6,7,8-OCTAHYDRO-NAP $$
100
57
43
Me (CH 2 ) 10 Me
71
85
41
27
20
99
40
60
80
113
100
127
120
170
141
140
160
180
200
220
240
260
280
300
320
340
Hit#: 4
Library:WILEY7.LIB
MolWeight:170
CompName: Dodecane (CAS) n-Dodecane $$ Ba 51-090453 $$ Adakane 12 $$ Isododecane $$ CH3(CH2)10CH3 $$ Bihexyl $$ Dihexyl $$ n-Dodecane m
in $$ N-Dodecan $$ Duodecane $$ ACETIC ACID 3-HYDROXY-7-ISOPROPENYL-1,4A-DIMETHYL-2,3,4,4A,5,6,7,8-OCTAHYDRO-NAP $$
100
43
57
Me (CH 2 ) 10 Me
71
41
85
27
98
20
40
Hit#: 5
CompName:
100
60
80
100
112
127
120
170
141
140
160
180
200
Library:NIST147.LIB
Formula: C12H26
Decane, 3,7-dimethyl- $$ 3,7-Dimethyldecane # $$
43
220
240
CAS: 17312-54-8
260
280
300
320
340
300
320
340
MolWeight:170
57
71
41
85
27
99
20
40
60
80
100
113
127
120
141
140
155
160
170
180
200
220
240
260
280

100
57
7 / 30
71
85
55
99
113
141
127
20
30
Hit#: 1
CompName:
100
40
50
60
70
80
90
43
57
30
120
130
150
160
170
180
50
190
200
210
MolWeight:198
Me (CH 2 ) 12 Me
99
40
140
CAS: 629-59-4
85
39
20
110
71
41
Hit#: 2
CompName:
100
100
Library:WILEY7.LIB
Formula: C14 H30
184
181
155
45
60
Tridecane
70
80
90
113
100
Library:NIST27.LIB
110
127
120
141
130
Formula: C13H28
140
155
150
160
CAS: 629-50-5
198
169
170
180
190
200
210
190
200
210
190
200
210
MolWeight:184
57
43
71
85
41
99
27
20
30
Hit#: 3
CompName:
100
40
50
60
70
80
90
112
100
Library:NIST147.LIB
Dodecane, 4-methyl- $$ 4-Methyldodecane $$
110
127
120
141
130
Formula: C13H28
140
184
155
150
160
CAS: 6117-97-1
170
180
MolWeight:184
43
71
57
85
41
99
27
20
140
112
30
Hit#: 4
CompName:
100
40
50
60
Tetradecane
70
80
90
100
Library:NIST27.LIB
110
155
126
120
130
Formula: C14H30
140
150
CAS: 629-59-4
169
160
170
184
180
MolWeight:198
57
43
71
41
85
27
99
113
20
30
Hit#: 5
CompName:
100
40
50
60
70
80
90
100
110
127
120
141
130
Library:WILEY7.LIB
Formula: C14 H30
140
198
155
150
169
160
CAS: 629-59-4
170
180
190
200
210
MolWeight:198
57
43
71
41
Me (CH 2 ) 12 Me
85
27
99
113
20
30
40
50
60
70
80
90
100
110
127
120
130
141
140
198
155
150
169
160
170
180
190
200
210
8 / 30

100
57
71
85
55
99
113
45
20
40
Hit#: 1
CompName:
100
60
80
100
43
57
140
198
161 169
160
190
180
219
200
240
CAS: 629-59-4
260
280
300
320
340
MolWeight:198
85
Me (CH 2 ) 12 Me
99
40
355
220
71
39
20
120
140
Library:WILEY7.LIB
Formula: C14 H30
41
Hit#: 2
CompName:
100
127
60
80
100
Tetradecane
113
127
120
141
140
155
160
Library:NIST27.LIB
198
169
180
200
Formula: C14H30
220
240
CAS: 629-59-4
260
280
300
320
340
300
320
340
MolWeight:198
57
43
71
41
85
27
99
113
20
40
Hit#: 3
CompName:
100
60
80
100
127
120
141
140
198
155
169
160
180
200
Library:WILEY7.LIB
Formula: C14 H30
220
240
CAS: 629-59-4
260
280
MolWeight:198
57
43
71
41
Me (CH 2 ) 12 Me
85
27
99
113
20
40
Hit#: 4
CompName:
100
60
80
100
Hexadecane
127
120
141
140
198
155
169
160
Library:NIST27.LIB
180
200
Formula: C16H34
220
240
CAS: 544-76-3
260
280
300
320
340
300
320
340
300
320
340
MolWeight:226
57
43
71
85
41
99
113
27
20
40
Hit#: 5
CompName:
100
60
80
100
Heptadecane
127
120
141
140
155
169
160
Library:NIST27.LIB
183
180
197
200
Formula: C17H36
226
220
240
CAS: 629-78-7
260
280
MolWeight:240
57
43
71
85
41
99
113
27
20
40
60
80
100
127
120
141
140
155
160
169
183
180
240
197
200
220
240
260
280

100
57
9 / 30
71
85
55
99
113
127
45
10
Hit#: 1
CompName:
100
30
50
70
Pentadecane
90
110
Library:NIST27.LIB
141
130
154
150
Formula: C15H32
169
212
183
170
204
190
224
210
CAS: 629-62-9
284
230
250
270
250
270
MolWeight:212
57
43
71
85
41
99
113
27
10
Hit#: 2
CompName:
100
30
50
70
90
43
57
130
155
150
212
183
170
190
210
CAS: 629-59-4
230
MolWeight:198
85
Me (CH 2 ) 12 Me
99
30
169
71
39
Hit#: 3
CompName:
100
141
Library:WILEY7.LIB
Formula: C14 H30
41
10
110
126
50
70
Hexadecane
90
113
110
Library:NIST27.LIB
127
141
130
155
150
Formula: C16H34
198
169
170
190
210
CAS: 544-76-3
230
250
270
250
270
250
270
250
270
MolWeight:226
57
43
71
85
41
99
113
27
10
Hit#: 4
CompName:
100
30
50
70
Heptadecane
90
110
Library:NIST27.LIB
127
141
130
155
150
Formula: C17H36
169
183
170
226
197
190
210
CAS: 629-78-7
230
MolWeight:240
57
43
71
85
41
99
113
27
10
Hit#: 5
CompName:
100
30
50
70
90
110
Library:NIST27.LIB
Dodecane, 2,6,11-trimethyl57
127
141
130
155
150
Formula: C15H32
169
170
183
240
197
190
210
CAS: 31295-56-4
230
MolWeight:212
71
43
41
85
99
27
113
127
10
169
141
14
30
50
70
90
110
130
150
170
197
190
212
210
230
10 / 30

100
57
71
85
55
99
113
127
141
155
175 183
45
20
40
Hit#: 1
CompName:
100
60
80
100
Hexadecane
120
140
Library:NIST27.LIB
160
180
Formula: C16H34
196
200
CAS: 544-76-3
226
218
220
253
240
281
260
280
260
280
260
280
260
280
MolWeight:226
57
43
71
85
41
99
113
127
27
20
40
Hit#: 2
CompName:
100
60
80
100
Eicosane
120
141
140
Library:NIST27.LIB
155
169
160
183
180
Formula: C20H42
226
197
200
CAS: 112-95-8
220
240
MolWeight:282
57
71
43
85
41
99
113
127
27
20
40
Hit#: 3
CompName:
100
60
80
100
Heptadecane
120
141
140
Library:NIST27.LIB
155
169
160
183
180
Formula: C17H36
197
211
200
CAS: 629-78-7
282
225
220
240
MolWeight:240
57
43
71
85
41
99
113
27
20
40
Hit#: 4
CompName:
100
60
80
100
127
120
141
140
155
169
160
183
180
Library:WILEY7.LIB
Formula: C18 H38
Octadecane (CAS) n-Octadecane $$ Octadecan $$
240
197
200
CAS: 593-45-3
220
240
MolWeight:254
57
43
71
85
Me (CH 2 ) 16 Me
41
99
27
20
40
Hit#: 5
CompName:
100
60
80
113
100
Heneicosane
127
120
141
140
Library:NIST27.LIB
155
169
160
183
180
Formula: C21H44
197
200
CAS: 629-94-7
254
211
220
240
260
280
MolWeight:296
57
71
43
85
41
99
113
127
27
20
40
60
80
100
120
141
140
155
160
169
183
180
197
200
211
225
220
296
239
240
260
280
11 / 30

100
71
57
85
99
55
113
127
141
155
169
184
45
20
40
Hit#: 1
CompName:
100
60
80
100
Heptadecane
120
140
Library:NIST27.LIB
160
180
Formula: C17H36
197
211
200
CAS: 629-78-7
230
220
240
240
253
268
260
280
260
280
260
280
MolWeight:240
57
43
71
85
41
99
113
27
20
40
Hit#: 2
CompName:
100
60
80
100
Eicosane
127
120
141
140
Library:NIST27.LIB
155
169
160
183
180
Formula: C20H42
240
197
200
CAS: 112-95-8
220
240
MolWeight:282
57
71
43
85
41
99
113
127
27
20
40
Hit#: 3
CompName:
100
60
80
100
120
141
140
155
169
160
183
180
Library:WILEY7.LIB
Formula: C18 H38
197
211
200
CAS: 593-45-3
282
225
220
240
MolWeight:254
57
43
71
85
Me (CH 2 ) 16 Me
41
99
27
20
40
Hit#: 4
CompName:
100
60
80
113
100
Heneicosane
127
120
141
140
Library:NIST27.LIB
155
169
160
183
180
Formula: C21H44
197
200
CAS: 629-94-7
254
211
220
240
260
280
260
280
260
280
MolWeight:296
57
71
43
85
41
99
113
127
27
20
40
Hit#: 5
CompName:
100
60
80
100
Hexadecane
120
141
140
Library:NIST27.LIB
155
169
160
183
180
Formula: C16H34
197
200
CAS: 544-76-3
211
225
220
296
239
240
MolWeight:226
57
43
71
85
41
99
113
127
27
20
40
60
80
100
120
141
140
155
160
169
183
180
197
200
226
220
240
12 / 30

100
71
57
85
99
55
113
127
141
45
20
40
Hit#: 1
CompName:
100
60
80
100
Eicosane
120
140
Library:NIST27.LIB
175 183
155
160
180
Formula: C20H42
197
200
CAS: 112-95-8
254
218 225
220
246
240
275
260
280
MolWeight:282
57
71
43
85
41
99
113
127
27
20
40
Hit#: 2
CompName:
100
60
80
100
120
141
140
155
169
160
183
180
Library:WILEY7.LIB
Formula: C18 H38
197
211
200
CAS: 593-45-3
282
225
220
240
260
280
MolWeight:254
57
43
71
85
Me (CH 2 ) 16 Me
41
99
27
20
40
Hit#: 3
CompName:
100
60
80
113
100
Heneicosane
127
120
141
140
Library:NIST27.LIB
155
169
160
183
180
Formula: C21H44
197
CAS: 629-94-7
254
211
200
220
240
260
280
260
280
MolWeight:296
57
71
43
85
41
99
113
127
27
20
40
Hit#: 4
CompName:
100
60
80
100
120
141
140
155
169
160
Library:WILEY7.LIB
Formula: C18 H38
43
57
71
183
180
197
211
200
CAS: 593-45-3
225
220
296
239
240
MolWeight:254
85
41
Me (CH 2 ) 16 Me
99
113
127
141
155
40
20
40
Hit#: 5
CompName:
100
60
80
100
Heptadecane
120
140
Library:NIST27.LIB
169
160
183
180
Formula: C17H36
197
200
CAS: 629-78-7
254
211
225
220
240
260
280
260
280
MolWeight:240
57
43
71
85
41
99
113
27
20
40
60
80
100
127
120
141
140
155
160
169
183
180
240
197
200
220
240
13 / 30

100
71
57
85
179
194
55
99
113
127
141
50
20
40
60
80
100
120
140
197
155
211 224
160
180
200
220
244 253
240
267
260
Hit#: 1
Library:WILEY7.LIB
Formula: C18 H38
CompName: Octadecane (CAS) n-Octadecane $$ Octadecan $$
100
43
57
71
85
282
280
300
320
CAS: 593-45-3
340
360
380
400
420
440
MolWeight:254
41
Me (CH 2 ) 16 Me
99
113
127
141
155
40
20
40
Hit#: 2
CompName:
100
60
80
100
120
140
169
160
183
180
197
200
254
211
225
220
240
260
Library:WILEY7.LIB
Formula: C54 H110
TETRAPENTACOSAN $$ TETRAPENTACONTANE $$
57
280
300
320
CAS: 5856-66-6
340
360
380
400
420
440
380
400
420
440
380
400
420
440
380
400
420
440
MolWeight:759
71
85
43
99
113
29
20
127
41
40
Hit#: 3
CompName:
100
60
80
100
120
Tetrapentacontane
57
141
140
155
169
160
183
180
Library:NIST27.LIB
197
200
211
225
220
239
240
253
267
260
Formula: C54H110
281
280
295
309
300
320
CAS: 5856-66-6
340
360
MolWeight:758
71
85
43
99
113
29
20
127
41
40
Hit#: 4
CompName:
100
60
80
100
120
Eicosane
141
140
155
169
160
183
180
Library:NIST27.LIB
197
200
211
225
220
239
240
253
267
260
Formula: C20H42
281
280
295
309
300
CAS: 112-95-8
320
340
360
MolWeight:282
57
71
43
85
41
99
113
127
27
20
40
60
80
100
120
141
140
155
169
160
183
180
197
200
211
282
225
220
240
260
280
300
320
340
360
Hit#: 5
Library:WILEY7.LIB
MolWeight:451
CompName: Dotriacontane (CAS) n-Dotriacontane $$ Bicetyl $$ Tris(trimethylsilyl)ether, methyl ester of ethyl anthranilate azo pigment(.alpha.z) of bilivu
bin-1x.alpha. 2-O-acyl glucuronide $$
100
57
71
85
Me (CH 2 ) 30 Me
43
99
113
41
127
29
20
40
60
80
100
120
141
140
155
169
160
183
180
197
200
211
225
220
239
240
267
260
450
295
280
300
320
340
360
380
400
420
440

100
30
Hit#: 1
CompName:
100
98
69
45
60
90
14 / 30
198
152 165
114
120
139
195 212 224
150
180
210
246
240
276
270
595
300
330
Library:NIST147.LIB
Formula: C13H10S
Dibenzothiophene, 3-methyl- $$ 3-Methyldibenzo[b,d]thiophene # $$
360
390
420
CAS: 16587-52-3
450
480
510
540
570
540
570
MolWeight:198
198
28
14 27
45
30
Hit#: 2
CompName:
100
99
63 76 86
60
113
90
120
139
152 165
150
195
180
210
240
270
300
330
360
390
420
450
480
510
Library:NIST147.LIB
Formula: C13H10S CAS: 7372-88-5
MolWeight:198
Dibenzothiophene, 4-methyl- $$ 4-Methyldibenzothiophene $$ 4-Methyldibenzo[b,d]thiophene # $$
198
99
38
30
Hit#: 3
CompName:
100
63 76 86
60
113
90
120
139
152 165
150
195
180
210
240
270
300
330
Library:WILEY7.LIB
Formula: C13 H10 S
Dibenzothiophene, 3-methyl- (CAS) 3-METHYLDIBENZOTHIOPHENE $$
360
390
420
CAS: 16587-52-3
450
480
510
540
MolWeight:198
198
28
14 27
45
30
Hit#: 4
CompName:
100
570
97
63 76
60
90
139
120
152 165
150
Me
195
180
210
240
270
300
330
Library:WILEY7.LIB
Formula: C13 H10 S
Dibenzothiophene, 4-methyl- (CAS) 4-Methyldibenzothiophene $$
360
390
420
CAS: 7372-88-5
450
480
510
540
570
MolWeight:198
198
Me
S
13
39
30
Hit#: 5
CompName:
100
63 76
60
97
90
30
120
139
152 165
150
195
180
212
210
Library:WILEY7.LIB
Methyldibenzothiophene $$
240
270
300
330
Formula: C13 H10 S
360
390
420
CAS: 30995-64-3
450
480
510
540
570
510
540
570
MolWeight:198
198
85
63 76
113
60
90
99
115
120
139
152 165
150
195
180
210
240
270
300
330
360
390
420
450
480

100
45 51
20
Hit#: 1
CompName:
100
40
63
60
15 / 30
198
85
71
152
99
113
80
100
165
195
127
120
140
160
180
224
211
200
220
Library:NIST147.LIB
Formula: C13H10S
Dibenzothiophene, 3-methyl- $$ 3-Methyldibenzo[b,d]thiophene # $$
249 260 272
240
260
CAS: 16587-52-3
286 294
280
300
380
320
340
360
380
360
380
360
380
MolWeight:198
198
28
27
14
20
Hit#: 2
CompName:
100
45
40
63
60
99
76
86
80
113
100
120
139
152
140
165
160
195
180
200
220
240
260
280
300
320
340
Library:NIST147.LIB
MolWeight:198
Dibenzothiophene, 4-methyl- $$ 4-Methyldibenzothiophene $$ 4-Methyldibenzo[b,d]thiophene # $$
198
99
38 45
20
Hit#: 3
CompName:
100
40
63
60
76
86
80
113
100
120
139
152
140
165
160
195
180
200
220
Library:WILEY7.LIB
Formula: C13 H10 S
Dibenzothiophene, 3-methyl- (CAS) 3-METHYLDIBENZOTHIOPHENE $$
240
260
CAS: 16587-52-3
280
300
320
340
MolWeight:198
198
28
27
14
20
Hit#: 4
CompName:
100
45
40
63
60
76
80
20
100
139
120
152
140
165
160
Library:WILEY7.LIB
Methyldibenzothiophene $$
195
180
200
220
Formula: C13 H10 S
240
260
CAS: 30995-64-3
280
300
320
340
360
380
340
360
380
MolWeight:198
198
85
63 69 76
Hit#: 5
CompName:
100
97
Me
40
60
80
99
115
100
120
139
140
152
165
160
195
180
200
220
Library:WILEY7.LIB
Formula: C13 H10 S
Dibenzothiophene, 4-methyl- (CAS) 4-Methyldibenzothiophene $$
240
260
CAS: 7372-88-5
280
300
320
MolWeight:198
198
Me
S
13
39 45
20
40
63
60
76
80
97
100
113
120
139
140
152
165
160
195
180
200
212
220
240
260
280
300
320
340
360
380
16 / 30

100
71
57
85
99
55
113
127
141
155
45
20
40
Hit#: 1
CompName:
100
60
80
100
Eicosane
120
140
Library:NIST27.LIB
192
169
160
180
Formula: C20H42
211
200
225
220
CAS: 112-95-8
239
240
268
254
286
260
280
300
320
300
320
MolWeight:282
57
71
43
85
41
99
113
127
27
20
40
Hit#: 2
CompName:
100
60
80
100
Heneicosane
120
141
140
Library:NIST27.LIB
155
169
160
183
180
Formula: C21H44
197
211
200
282
225
220
CAS: 629-94-7
240
260
280
MolWeight:296
57
71
43
85
41
99
113
27
20
Hit#: 3
CompName:
100
40
60
80
100
127
120
141
140
155
169
160
183
180
Library:WILEY7.LIB
Formula: C18 H38
43
57
71
197
211
200
225
220
CAS: 593-45-3
296
239
240
260
280
300
320
MolWeight:254
85
41
Me (CH 2 ) 16 Me
99
113
127
141
155
40
20
Hit#: 4
CompName:
100
40
60
80
100
120
140
169
160
183
180
197
254
211
200
225
220
Library:WILEY7.LIB
Docosane (CAS) n-Docosane $$ C22H46 STANDARD $$ Normal-docosane $$
240
260
280
300
320
MolWeight:310
57
43
71
85
Me (CH 2 ) 20 Me
41
99
113
39
20
Hit#: 5
CompName:
100
40
60
80
100
Tetracosane
127
120
141
140
Library:NIST27.LIB
155
169
160
183
180
Formula: C24H50
197
211
200
225
220
CAS: 646-31-1
239
240
310
253
260
280
300
320
MolWeight:338
57
43
71
85
41
99
113
39
20
40
60
80
100
120
127
141
140
155
160
169
183
180
197
200
211
225
220
239
240
253
267
260
338
281
280
300
320

100
212
197
105
69 79
4551
10
30
Hit#: 1
CompName:
100
50
70
92
90
17 / 30
115
110
133
130
152 165 178
150
170
195
190
230 244
210
230
260 274 285294
250
270
290
310
330
350
370
390
410
430
450
470
450
470
Library:NIST147.LIB
MolWeight:212
2,8-Dimethyldibenzo(b,d)thiophene $$ 2,8-Dimethyldibenzothiophene $$ Dibenzothiophene, 2,8-dimethyl- $$
212
S
105
197
92
50
10
30
Hit#: 2
CompName:
ene $$
100
79
63
50
70
115
90
110
139
130
152 165 178
150
170
195
190
210
230
250
270
290
310
330
350
370
390
410
430
Library:WILEY7.LIB
Formula: C14 H12 S CAS: 1207-15-4
MolWeight:212
2,8-Dimethyldibenzothiophene $$ Dibenzothiophene, 2,8-dimethyl- (CAS) 1,3-Dimethyldibenzothiophene $$ 2,8-Dimethyldibenzo(B,D)thioph
212
S
Me
Me
105
197
92
50
10
30
Hit#: 3
CompName:
100
79
63
50
70
115
90
110
139
130
152 165 178
150
170
195
190
210
230
250
270
290
310
330
Library:NIST147.LIB
Naphtho[2,3-b]thiophene, 4,9-dimethyl- $$ 4,9-Dimethylnaphtho[2,3-b]thiophene # $$
350
370
390
410
430
450
470
MolWeight:212
212
197
3945
15
10
30
Hit#: 4
CompName:
100
63
50
76
70
92
90
106
115
110
165 178
139 152
130
150
170
190
210
230
250
270
290
310
330
Library:WILEY7.LIB
Formula: C14 H12 S CAS: 16587-34-1
Naphtho[2,3-b]thiophene, 4,9-dimethyl- (CAS) 4,9-DIMETHYLNAPHTHO(2,3-B)THIOPHENE $$
350
370
390
410
430
450
470
MolWeight:212
212
Me
S
197
3945
15
10
30
63
50
76
70
92
90
106
115
110
Me
165 178
139 152
130
150
170
190
210
230
250
270
290
310
330
350
370
390
410
430
450
470
Hit#: 5
Library:WILEY7.LIB
Formula: C14 H12 S CAS: 6672-64-6
MolWeight:212
CompName: Dibenzo[c,e]thiepin, 5,7-dihydro- (CAS) 2,7-DIHYDRO-3,4,5,6-DIBENZO-THIEPIN $$ 3,4,5,6-DIPHENYLENE-1-THIA-CYCLOHEPTANE $$ 2,4DIBENZO-1,6-DIHYDROTHIEPINE $$ Dibenzocyclothiepine $$
100
212
179
165
S
39
10
30
51
50
63
76
70
89
106 115
90
110
139
130
197
152
185
150
170
190
210
230
250
270
290
310
330
350
370
390
410
430
450
470

100
212
105
69
45 51
10
30
Hit#: 1
CompName:
100
50
18 / 30
79
70
92
115
90
110
139
130
152
150
165
197
195
178
170
190
231 238
210
230
254
250
270
293
270
308
290
Library:NIST147.LIB
MolWeight:212
212
S
105
197
92
50
10
30
Hit#: 2
CompName:
ene $$
100
79
63
50
70
139
115
90
110
130
152
150
165
178
195
170
190
210
230
250
270
290
Library:WILEY7.LIB
Formula: C14 H12 S CAS: 1207-15-4
MolWeight:212
212
S
Me
Me
105
197
92
50
10
30
Hit#: 3
CompName:
100
79
63
50
70
139
115
90
110
130
152
150
165
178
195
170
190
210
Library:NIST147.LIB
230
250
270
290
MolWeight:212
212
197
39 45
15
10
30
Hit#: 4
CompName:
100
63
50
76
70
92
106
90
139
115
110
130
152
150
165
178
184
170
190
210
Library:WILEY7.LIB
Formula: C14 H12 S CAS: 16587-34-1
230
250
270
290
MolWeight:212
212
Me
S
197
39 45
15
10
Hit#: 5
CompName:
100
30
63
50
76
70
92
106
90
139
115
110
130
152
150
165
178
Me
184
170
190
Library:WILEY7.LIB
Formula: C14 H18 CL2 N2
O-TOLIDINIUMDICHLORIDE $$ 0-TOLIDINIUMDICHLORID $$
210
CAS: 0-00-0
230
250
270
290
270
290
MolWeight:284
36
212
28
106
51
10
30
50
77
63
70
97
90
115
110
130
130
152
150
167
170
180
195
190
210
230
250

100
19 / 30
212
197
69
45 51
10
30
Hit#: 1
CompName:
100
50
79
70
92
90
105
152
119
110
165
178
195
139
130
150
170
190
260
236 246
210
230
250
Library:NIST147.LIB
276
270
294
290
341
310
330
MolWeight:212
212
197
39 45
15
10
30
Hit#: 2
CompName:
100
63
50
76
70
92
90
106
139
115
110
130
152
150
165
178
170
190
210
230
250
Library:WILEY7.LIB
Formula: C14 H12 S CAS: 16587-34-1
270
290
310
330
MolWeight:212
212
Me
S
197
39 45
15
10
Hit#: 3
CompName:
100
30
63
50
76
70
92
90
106
139
115
110
130
152
150
165
Me
178
170
190
210
230
250
270
290
310
330
Library:NIST147.LIB
MolWeight:212
212
S
105
197
92
50
10
Hit#: 4
CompName:
ene $$
100
30
79
63
50
70
139
115
90
110
130
152
150
165
178
195
170
190
210
230
250
270
290
310
330
Library:WILEY7.LIB
Formula: C14 H12 S CAS: 1207-15-4
MolWeight:212
212
S
Me
Me
105
197
92
50
10
30
79
63
50
70
139
115
90
110
130
152
150
165
178
195
170
190
210
230
250
270
290
310
330
Hit#: 5
Library:WILEY7.LIB
Formula: C14 H12 S CAS: 6672-64-6
MolWeight:212
CompName: Dibenzo[c,e]thiepin, 5,7-dihydro- (CAS) 2,7-DIHYDRO-3,4,5,6-DIBENZO-THIEPIN $$ 3,4,5,6-DIPHENYLENE-1-THIA-CYCLOHEPTANE $$ 2,4DIBENZO-1,6-DIHYDROTHIEPINE $$ Dibenzocyclothiepine $$
100
212
179
165
S
39
10
30
51
50
76
63
70
89
139
106 115
90
110
130
197
152
185
150
170
190
210
230
250
270
290
310
330
20 / 30

100
71
57
85
99
55
113
127
141
155
169
45
20
40
Hit#: 1
CompName:
100
60
80
100
Eicosane
120
140
Library:NIST27.LIB
160
183
180
197
210
200
Formula: C20H42
225
220
239
253
240
CAS: 112-95-8
277
260
280
294
308
322
345
300
320
340
300
320
340
MolWeight:282
57
71
43
85
41
99
113
127
27
20
40
Hit#: 2
CompName:
100
60
80
100
120
141
140
155
169
160
183
180
197
211
200
Library:WILEY7.LIB
Formula: C18 H38
43
57
71
282
225
220
240
CAS: 593-45-3
260
280
MolWeight:254
85
41
Me (CH 2 ) 16 Me
99
113
127
141
155
40
20
40
Hit#: 3
CompName:
100
60
80
100
Tetracosane
120
140
Library:NIST27.LIB
169
160
183
180
254
197
211
200
Formula: C24H50
225
220
240
CAS: 646-31-1
260
280
300
320
340
MolWeight:338
57
43
71
85
41
99
113
127
39
20
40
Hit#: 4
CompName:
100
60
80
100
Heneicosane
120
141
140
Library:NIST27.LIB
155
169
160
183
180
197
211
200
Formula: C21H44
225
220
239
253
240
CAS: 629-94-7
267
260
338
281
280
300
320
340
320
340
MolWeight:296
57
71
43
85
41
99
113
27
20
Hit#: 5
CompName:
100
40
60
80
100
127
120
141
140
Library:WILEY7.LIB
Eicosane (CAS) n-Eicosane $$
155
169
160
183
180
197
211
200
Formula: C20 H42
225
220
296
239
240
CAS: 112-95-8
260
280
300
MolWeight:282
57
43
71
Me (CH 2 ) 18 Me
85
41
99
20
40
60
80
100
113
127
120
141
140
155
160
169
183
180
197
200
211
225
220
239
240
282
253
260
280
300
320
340

100
21 / 30
206
191
50 55
30
50
Hit#: 1
CompName:
100
76
63
89
101
139
113
70
90
110
130
152
150
165
212
175
225
170
190
Library:NIST147.LIB
Formula: C16H14
Phenanthrene, 2,5-dimethyl- $$ 2,5-Dimethyl-phenanthrene $$
210
230
CAS: 3674-66-6
246 253
270
250
270
281
298
320
290
310
290
310
270
290
310
270
290
310
270
290
310
270
290
310
MolWeight:206
206
191
89
39
30
51
50
Hit#: 2
CompName:
100
101
76
63
70
139
115
90
110
130
152
150
165
178
170
190
210
230
250
270
Library:NIST147.LIB
Formula: C16H14 CAS: 3674-65-5
MolWeight:206
Phenanthrene, 2,3-dimethyl- $$ 2,3-Dimethyl phenanthrene $$ 2,3-Dimethyl-phenanthrene $$
206
191
89
39
30
51
50
Hit#: 3
CompName:
100
76
63
70
103
115
90
110
139
130
152
150
165
178
170
190
Library:NIST147.LIB
Formula: C16H14
Anthracene, 1,4-dimethyl- $$ 1,4-Dimethylanthracene # $$
210
230
CAS: 781-92-0
250
MolWeight:206
206
191
39
30
51
50
Hit#: 4
CompName:
100
76
63
70
89
103
139
115
90
110
130
152
150
Library:WILEY7.LIB
ANTHRACENE, 1,4-DIMETHYL- $$
165
178
170
190
Formula: C16 H14
210
230
CAS: 781-92-0
250
MolWeight:206
206
191
39
30
51
50
Hit#: 5
CompName:
100
76
63
70
89
103
139
115
90
110
130
152
150
Library:WILEY7.LIB
1,4-DIMETHYL-ANTHRACENE $$
165
178
170
190
Formula: C16 H14
210
CAS: 0-00-0
230
250
MolWeight:206
206
191
39
30
51
50
76
63
70
89
103
139
115
90
110
130
152
150
165
170
178
190
210
230
250

100
22 / 30
226
211
63
45 51
20
40
60
77
92
80
105112
139
100
120
140
152
165
178
193
208
243
160
180
200
220
240
263 274 283 294
260
280
314 325
300
320
384 392
340
360
380
Hit#: 1
Library:NIST147.LIB
Formula: C15H18N2 CAS: 838-88-0
MolWeight:226
CompName: Benzenamine, 4,4'-methylenebis[2-methyl- $$ o-Toluidine, 4,4'-methylenedi- $$ Aniline, 4,4'-methylenebis(2-methyl- $$ Bis(3-methyl-4-ami
nophenyl)methane $$ Bis-4-amino-3-methylfenylmethan $$ Me-Mda $$ Methane, bis(4-amino-3-methylphenyl)- $$ 2,2'-Dimethyl-4,4'-methylenedianiline $
$ 3,3'-Dimethyl-4,4'-diaminodiphenylmethane $$ 4,4'-Diamino-3,3'-dimethyldiphenylmethane $$ 4,4'-Methylene bis(2-methylaniline) $$ 4,4'-Methylenebis(2
-methylbenzenamine) $$ 4,4'-Methylenedi-o-toluidine $$ Bis(4-amino-3-methylpheny
100
226
H2N
NH2
211
120
28
20
65
39
40
Hit#: 2
CompName:
100
60
77
91
80
105
100
165
120
140
160
Library:NIST27.LIB
Benzenamine, 4,4'-methylenebis[2-methyl-
180
180
195
209
200
220
Formula: C15H18N2
240
260
280
CAS: 838-88-0
300
320
340
360
380
MolWeight:226
226
211
H2N
NH2
120
65
51
20
40
Hit#: 3
CompName:
100
60
77
195
106
91
80
152
130
100
120
140
165
160
207
180
180
200
77
39
280
300
320
340
360
380
211
60
C CHSMe
165
89
63
40
Hit#: 4
CompName:
100
260
226
51
20
240
Library:WILEY7.LIB
Formula: C15 H14 S CAS: 15096-10-3
MolWeight:226
Benzene, 1,1'-[(methylthio)ethenylidene]bis- (CAS) ETHENE, 2-METHYLTHIO-1,1-DIPHENYL- $$
178
27
220
80
104 113
100
152
126
120
140
209
160
Library:NIST27.LIB
Benzenamine, 4,4'-methylenebis[2-methyl-
180
200
220
Formula: C15H18N2
240
260
280
CAS: 838-88-0
300
320
340
360
380
MolWeight:226
226
211
120
58
20
40
Hit#: 5
CompName:
100
77
65
60
91
80
105
100
H2N
165
144
120
140
160
180
180
195
NH2
209
200
220
240
260
280
300
320
340
360
380
Library:NIST147.LIB
MolWeight:226
Benzene, 1,1'-[(methylthio)ethenylidene]bis- $$ [2-(Methylsulfanyl)-1-phenylvinyl]benzene # $$
226
S
211
178
51
27
20
39
40
77
63
60
80
165
89
104 113
100
152
126
120
193
140
160
180
200
209
220
240
260
280
300
320
340
360
380
23 / 30

100
57 71
85
99
55
113
50
20
50
80
110
127 141
155 169
183
140
170
205 220
200
239 253 267
230
260
288
317
290
Hit#: 1
Library:WILEY7.LIB
Formula: C18 H38
100
43 57 71 85
320
350
CAS: 593-45-3
380
410
440
470
500
MolWeight:254
41
Me (CH 2 ) 16 Me
99
113
40
20
50
Hit#: 2
CompName:
100
80
110
127 141 155

169 183 197
211 225
140
Eicosane
170
200
Library:NIST27.LIB
230
254
260
290
Formula: C20H42
320
350
CAS: 112-95-8
380
410
440
470
500
440
470
500
440
470
500
MolWeight:282
57
71
43
85
41
99
113
27
20
50
Hit#: 3
CompName:
100
80
110
127 141
155 169 183 197 211 225
140
Tetracosane
170
200
Library:NIST27.LIB
230
282
260
290
Formula: C24H50
320
350
CAS: 646-31-1
380
410
MolWeight:338
57
43
71
85
41
99
113
39
20
50
80
110
127 141
155 169 183 197 211 225
239 253 267 281
140
170
200
230
260
338
290
320
350
380
410
Hit#: 4
Library:WILEY7.LIB
MolWeight:451
100
57
71
85
Me (CH 2 ) 30 Me
43
99
113
41
29
20
50
Hit#: 5
CompName:
100
80
110
127 141
155 169 183 197
211 225 239
140
Dotriacontane
170
200
Library:NIST27.LIB
230
267
260
450
295
290
Formula: C32H66
320
350
CAS: 544-85-4
380
410
440
470
500
470
500
MolWeight:450
57
71
85
43
99
113
41
29
20
50
80
110
127 141
155 169 183
197 211 225 239
140
170
200
230
267
260
450
295
290
320
350
380
410
440
24 / 30

100
57
71
85
99
55
113
127
141
155
169
183
45
20
40
Hit#: 1
CompName:
100
60
80
100
120
140
160
180
197
211
200
Library:WILEY7.LIB
Formula: C18 H38
43
57
71
240
225
253
220
240
CAS: 593-45-3
267
260
281
300
280
300
310
325
320
343
340
MolWeight:254
85
41
Me (CH 2 ) 16 Me
99
113
127
141
155
40
20
40
Hit#: 2
CompName:
100
60
80
100
120
140
Library:WILEY7.LIB
Tetracosane (CAS) n-Tetracosane $$
169
160
183
180
254
197
211
200
Formula: C24 H50
225
220
240
CAS: 646-31-1
260
280
300
320
340
MolWeight:338
57
71
85
43
Me (CH 2 ) 22 Me
99
41
113
127
29
20
40
Hit#: 3
CompName:
100
60
80
100
Tetracosane
120
141
140
Library:NIST27.LIB
155
169
160
183
180
197
211
200
Formula: C24H50
225
220
239
253
240
CAS: 646-31-1
267
260
281
280
338
295
300
320
340
MolWeight:338
57
71
85
43
99
41
113
127
29
20
40
Hit#: 4
CompName:
100
60
80
100
120
141
140
Library:NIST147.LIB
Hexatriacontane $$ n-Hexatriacontane $$
155
169
160
183
180
197
211
200
Formula: C36H74
225
220
239
240
CAS: 630-06-8
253
267
260
281
280
338
295
300
320
340
320
340
320
340
MolWeight:506
57
71
43
85
99
113
41
127
141
155
27
20
40
Hit#: 5
CompName:
100
60
80
100
120
140
Library:NIST147.LIB
Tetratriacontane $$ n-Tetratriacontane $$
169
160
183
180
197
211
200
Formula: C34H70
225
220
239
240
CAS: 14167-59-0
253
267
260
281
280
295
300
309
MolWeight:478
57
71
43
85
99
41
29
20
40
60
80
100
113
127
120
141
140
155
160
169
183
180
197
200
211
225
220
239
240
253
267
260
281
280
295
300
25 / 30

100
57
71
85
99
55
113
127
141
155
169
183
45
20
40
60
80
100
120
140
160
180
197
236
211
200
220
240
253
267
260
Hit#: 1
Library:WILEY7.LIB
Formula: C18 H38
100
43
57
71
85
281
280
295 308
300
CAS: 593-45-3
324
320
349
340
413
360
380
400
420
440
MolWeight:254
41
Me (CH 2 ) 16 Me
99
113
127
141
155
40
20
40
Hit#: 2
CompName:
100
60
80
100
120
Tetracosane
140
169
160
183
180
Library:NIST27.LIB
254
197
211
200
225
220
240
260
Formula: C24H50
280
300
CAS: 646-31-1
320
340
360
380
400
420
440
380
400
420
440
MolWeight:338
57
71
85
43
99
41
113
127
29
20
40
Hit#: 3
CompName:
100
60
80
100
120
141
140
155
169
160
183
180
Library:WILEY7.LIB
197
211
200
225
220
239
240
253
267
260
Formula: C24 H50
281
280
338
295
300
CAS: 646-31-1
320
340
360
MolWeight:338
57
71
85
43
Me (CH 2 ) 22 Me
99
41
113
127
29
20
40
Hit#: 4
CompName:
100
60
80
100
120
141
140
155
169
160
183
180
197
211
200
Library:NIST147.LIB
225
220
239
240
253
267
260
Formula: C36H74
281
280
338
295
300
CAS: 630-06-8
320
340
360
380
400
420
440
380
400
420
440
MolWeight:506
57
71
43
85
99
113
41
127
141
155
27
20
40
60
80
100
120
140
169
160
183
180
197
200
211
225
220
239
240
253
267
260
281
280
295
309
300
320
340
360
Hit#: 5
Library:WILEY7.LIB
MolWeight:451
100
57
71
85
Me (CH 2 ) 30 Me
43
99
113
41
127
29
20
40
60
80
100
120
141
140
155
169
160
183
180
197
200
211
225
220
239
240
267
260
450
295
280
300
320
340
360
380
400
420
440
26 / 30

100
57
71
85
99
55
113
127
141
155
169
183
197
45
20
40
Hit#: 1
CompName:
100
60
80
100
Tetracosane
120
140
160
Library:NIST27.LIB
180
231 239
211
200
220
Formula: C24H50
240
253
267
281
260
CAS: 646-31-1
280
316
295
300
320
328
338
340
363 374
386
360
380
360
380
MolWeight:338
57
71
85
43
99
41
113
127
29
20
40
Hit#: 2
CompName:
100
60
80
100
120
141
140
155
169
160
Library:WILEY7.LIB
183
180
197
211
200
225
220
Formula: C24 H50
239
240
253
267
260
CAS: 646-31-1
281
280
338
295
300
320
340
MolWeight:338
57
71
85
43
Me (CH 2 ) 22 Me
99
41
113
127
29
20
40
60
80
100
120
141
140
155
169
160
183
180
197
211
200
225
220
Hit#: 3
Library:WILEY7.LIB
Formula: C18 H38
100
43
57
71
85
239
240
253
267
260
CAS: 593-45-3
281
280
338
295
300
320
340
360
380
MolWeight:254
41
Me (CH 2 ) 16 Me
99
113
127
141
155
40
20
40
Hit#: 4
CompName:
100
60
80
100
120
140
169
160
183
180
Library:NIST147.LIB
197
254
211
200
225
220
Formula: C36H74
240
260
CAS: 630-06-8
280
300
320
340
360
380
320
340
360
380
340
360
380
MolWeight:506
57
71
43
85
99
113
41
127
141
155
27
20
40
Hit#: 5
CompName:
100
60
80
100
120
140
169
160
183
180
Library:NIST147.LIB
Tetratriacontane $$ n-Tetratriacontane $$
197
211
200
225
220
Formula: C34H70
239
240
253
267
260
CAS: 14167-59-0
281
280
295
300
309
MolWeight:478
57
71
43
85
99
41
29
20
40
60
80
100
113
127
120
141
140
155
160
169
183
180
197
200
211
225
220
239
240
253
267
260
281
280
295
300
320
27 / 30

100
57
71
85
99
55
113
127
141
248
155
169
183
197
45
20
40
Hit#: 1
CompName:
100
60
80
100
120
Tetracosane
140
160
180
Library:NIST27.LIB
211
200
225
220
253
240
Formula: C24H50
267
260
281
295
280
CAS: 646-31-1
309
300
323
345
320
340
366
383
406
360
380
400
360
380
400
MolWeight:338
57
71
85
43
99
41
113
127
29
20
40
Hit#: 2
CompName:
100
60
80
100
120
141
140
155
169
160
183
180
Library:WILEY7.LIB
197
211
200
225
220
239
253
240
Formula: C24 H50
267
260
281
280
CAS: 646-31-1
338
295
300
320
340
MolWeight:338
57
71
85
43
Me (CH 2 ) 22 Me
99
41
113
127
29
20
40
60
80
100
120
141
140
155
169
160
183
180
197
211
200
225
220
239
253
240
Hit#: 3
Library:WILEY7.LIB
Formula: C18 H38
100
43
57
71
85
267
260
281
280
CAS: 593-45-3
338
295
300
320
340
360
380
400
MolWeight:254
41
Me (CH 2 ) 16 Me
99
113
127
141
155
40
20
40
Hit#: 4
CompName:
100
60
80
100
120
140
169
160
183
180
Library:NIST147.LIB
197
254
211
200
225
220
240
Formula: C36H74
260
280
CAS: 630-06-8
300
320
340
360
380
400
340
360
380
400
360
380
400
MolWeight:506
57
71
43
85
99
113
41
127
141
155
27
20
40
Hit#: 5
CompName:
100
60
80
100
120
140
169
160
183
180
197
211
200
225
220
239
240
Library:WILEY7.LIB
Formula: C54 H110
57
253
267
260
281
280
295
309
300
CAS: 5856-66-6
320
MolWeight:759
71
85
43
99
113
29
20
127
41
40
60
80
100
120
141
140
155
160
169
183
180
197
200
211
225
220
239
240
253
267
260
281
280
295
300
309
320
340
28 / 30

100
57
71
85
99
55
113
127
141
262
155
169
183
197
211
45
20
40
Hit#: 1
CompName:
100
60
80
100
120
Tetracosane
140
160
180
Library:NIST27.LIB
200
225
220
239
267
240
Formula: C24H50
260
281
295
280
CAS: 646-31-1
309
300
344 355 366
323
320
340
381
398
360
380
400
360
380
400
MolWeight:338
57
71
85
43
99
41
113
127
29
20
40
Hit#: 2
CompName:
100
60
80
100
120
141
140
155
169
160
183
180
Library:WILEY7.LIB
197
211
200
225
220
239
253
240
Formula: C24 H50
267
260
281
280
CAS: 646-31-1
338
295
300
320
340
MolWeight:338
57
71
85
43
Me (CH 2 ) 22 Me
99
41
113
127
29
20
40
Hit#: 3
CompName:
100
60
80
100
120
141
140
155
169
160
183
180
197
211
200
225
220
239
253
240
Library:WILEY7.LIB
Formula: C54 H110
57
267
260
281
280
338
295
300
CAS: 5856-66-6
320
340
360
380
400
360
380
400
340
360
380
400
340
360
380
400
MolWeight:759
71
85
43
99
113
20
127
41
29
40
Hit#: 4
CompName:
100
60
80
100
120
Tetrapentacontane
57
141
140
155
183
169
160
180
Library:NIST27.LIB
197
211
200
225
220
239
253
240
Formula: C54H110
267
260
281
280
CAS: 5856-66-6
295
309
300
320
340
MolWeight:758
71
85
43
99
113
20
127
41
29
40
Hit#: 5
CompName:
100
60
80
100
120
141
140
155
183
169
160
180
Library:NIST147.LIB
197
211
200
225
220
239
253
240
Formula: C36H74
267
260
281
280
CAS: 630-06-8
295
309
300
320
MolWeight:506
57
71
43
85
99
113
41
127
141
155
27
20
40
60
80
100
120
140
160
169
183
180
197
200
211
225
220
239
240
253
267
260
281
280
295
300
309
320
29 / 30

100
57
71
85
99
55
113
127
141
155
169
183
197
45
20
40
Hit#: 1
CompName:
100
60
80
100
120
140
160
180
Library:WILEY7.LIB
200
211
225
220
239
253
240
267
260
Formula: C24 H50
281
295
280
309
300
CAS: 646-31-1
323
320
372 380
337 350
340
360
380
399 408
400
424
420
MolWeight:338
57
71
85
43
Me (CH 2 ) 22 Me
99
41
20
40
Hit#: 2
CompName:
100
113
60
80
100
127
120
Tetracosane
141
140
155
169
160
183
180
Library:NIST27.LIB
197
200
211
225
220
239
253
240
267
260
Formula: C24H50
281
338
295
280
300
CAS: 646-31-1
320
340
360
380
400
420
360
380
400
420
360
380
400
420
380
400
420
MolWeight:338
57
71
85
43
99
41
20
40
Hit#: 3
CompName:
100
113
60
80
100
127
120
Tetrapentacontane
57
141
140
155
169
160
183
180
Library:NIST27.LIB
197
200
211
225
220
239
253
240
267
260
Formula: C54H110
281
280
338
295
300
CAS: 5856-66-6
320
340
MolWeight:758
71
85
43
99
113
127
41
20
40
Hit#: 4
CompName:
100
60
80
100
120
141
140
155
169
160
183
180
197
200
211
225
220
239
253
240
Library:WILEY7.LIB
Formula: C54 H110
57
267
260
281
280
295
309
300
320
CAS: 5856-66-6
340
MolWeight:759
71
85
43
99
113
127
41
20
40
60
80
100
120
141
140
155
169
160
183
180
197
200
211
225
220
239
240
Hit#: 5
Library:WILEY7.LIB
Formula: C18 H38
100
43
57
71
85
253
267
260
281
280
295
309
300
CAS: 593-45-3
320
340
360
MolWeight:254
41
Me (CH 2 ) 16 Me
99
113
20
40
60
80
100
127
120
141
140
155
169
160
183
180
197
200
254
211
225
220
240
260
280
300
320
340
360
380
400
420
30 / 30

100
57 71 85
99
55
113
127 141 155
169 183
197 211 225
239 253 267
49
20
50
Hit#: 1
CompName:
100
80
110
140
170
200
Library:WILEY7.LIB
230
260
290
290
Formula: C24 H50
309 323 337 351 365
320
350
CAS: 646-31-1
385
380
417
410
434
452
440
470
500
MolWeight:338
57
71
85
43
Me (CH 2 ) 22 Me
99
41
113
29
20
50
Hit#: 2
CompName:
100
80
127 141
155 169 183
197 211 225 239 253 267 281
295
110
140
Tetracosane
170
200
Library:NIST27.LIB
230
260
290
Formula: C24H50
338
320
350
CAS: 646-31-1
380
410
440
470
500
440
470
500
MolWeight:338
57
71
85
43
99
41
113
29
20
50
80
127 141
155 169 183
197 211 225 239 253 267 281
295
110
140
170
200
230
260
290
Hit#: 3
Library:WILEY7.LIB
Formula: C18 H38
100
43 57 71 85
338
320
350
CAS: 593-45-3
380
410
MolWeight:254
41
Me (CH 2 ) 16 Me
99
113
40
20
50
Hit#: 4
CompName:
100
80
127 141 155

169 183 197
211 225
110
140
170
200
Library:NIST147.LIB
254
230
260
290
Formula: C36H74
320
350
CAS: 630-06-8
380
410
440
470
500
440
470
500
440
470
500
MolWeight:506
57
71
43
85
99
113
41
27
20
50
Hit#: 5
CompName:
100
80
127 141
155 169 183 197
211 225 239 253 267 281 295 309
110
140
Tetrapentacontane
57
170
200
Library:NIST27.LIB
230
260
290
Formula: C54H110
320
350
CAS: 5856-66-6
380
410
MolWeight:758
71
85
43
99
113 127
29
20
41
50
80
110
141 155
140
169 183 197 211 225 239

253 267 281 295 309
170
200
230
260
290
320
350
380
410

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Qualitative Analysis Report

===== Analytical Line 1 =====

===== Analytical Line 1 =====

Qualitative Analysis Report

Qualitative Analysis Report

0.31 Undecane (CAS) n-Undecane

2.88 Tetradecane (CAS) n-Tetradecane

3.23 Tetradecane (CAS) n-Tetradecane

3.43 Octadecane (CAS) n-Octadecane

2.60 Dibenzothiophene, 3-methyl-

2.03 Dibenzothiophene, 3-methyl-

5.32 Naphtho[2,3-b]thiophene, 4,9-dimethyl-

2.36 Phenanthrene, 2,5-dimethyl-

5.91 Octadecane (CAS) n-Octadecane

6.27 Octadecane (CAS) n-Octadecane

5.62 Octadecane (CAS) n-Octadecane

1.68 Tetracosane (CAS) n-Tetracosane

1.21 Tetracosane (CAS) n-Tetracosane

1.42 Benzenamine, 4,4'-methylenebis[2-methyl-

Qualitative Analysis Report

<< TARGET SPECTRUM >>

Formula: C11 H24

Qualitative Analysis Report

<< TARGET SPECTRUM >>

Formula: C13 H28

PrCHMe CH 2 CH 2 CHMe (CH 2 ) 3 Me

Qualitative Analysis Report

<< TARGET SPECTRUM >>

Qualitative Analysis Report

<< TARGET SPECTRUM >>

Qualitative Analysis Report

<< TARGET SPECTRUM >>

Qualitative Analysis Report

<< TARGET SPECTRUM >>

Qualitative Analysis Report

<< TARGET SPECTRUM >>

Qualitative Analysis Report

<< TARGET SPECTRUM >>

Qualitative Analysis Report

<< TARGET SPECTRUM >>

Qualitative Analysis Report

<< TARGET SPECTRUM >>

Qualitative Analysis Report

<< TARGET SPECTRUM >>

195 212 224

Formula: C13 H10 S

Qualitative Analysis Report

<< TARGET SPECTRUM >>

249 260 272

Formula: C13 H10 S

Qualitative Analysis Report

<< TARGET SPECTRUM >>

Qualitative Analysis Report

<< TARGET SPECTRUM >>

152 165 178

260 274 285294

152 165 178

152 165 178

Qualitative Analysis Report

<< TARGET SPECTRUM >>

Qualitative Analysis Report

<< TARGET SPECTRUM >>

Qualitative Analysis Report

<< TARGET SPECTRUM >>