P0T21F2 PDF

Qualitative Analysis Report
Analyzed by
Analyzed
Sample Type
Level #
Sample Name
Sample ID
IS Amount
Sample Amount
:
:
:
:
:
:
:
:
Admin
2/4/2015 10:43:17 AM
Unknown
1
Dilution Factor
Vial #
Injection Volume
Modified by
Modified
Data File
Method File
Tuning File
: C:\GCMSsolution\Data\Project1\P0T21F2.qgd
: C:\GCMSsolution\Data\Project1\pah3.qgm
: C:\GCMSsolution\System\Tune1\2014\2015\02-02-2015 pah3.qgt
:
:
:
:
:
1 / 35
1
2
1.00
Admin
2/5/2015 8:43:36 AM
[1]=1
1
21
TIC
26
1211
14
31
30
29
28
27
10
25
24
15
23
16
22
13
17
25,000,000
19
20
18
Chromatogram
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\P0T21F2.qgd
2 / 35
Chromatogram C:\GCMSsolution\Data\Project1\P0T21F2.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
26
14
29
28
27
11
12
10
25
24
15
23
16
22
21
20
19
18
13
17
TIC
20,000,000
20.0
30.0
40.0
min
TIC
31
30
29
28
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
2/4/2015 10:43:17 AM
Unknown
1
Dilution Factor
Vial #
Injection Volume
Modified by
Modified
Data File
Method File
Tuning File
:
:
:
:
:
3 / 35
1
2
1.00
Admin
2/5/2015 8:43:36 AM
[1]=1
1
Peak Table
Peak Report TIC
Peak#
R.Time
Area
Area% Name
6.948
8721412
1.13
9.236
13789822
1.78
11.499
22738129
2.94
13.674
20307244
2.63
15.747
16631508
2.15
17.718
22153727
2.86
19.595
42005714
5.43
21.378
40608278
5.25
21.473
16947611
2.19
10
21.950
17055752
2.20
11
22.313
15810971
2.04
12
22.618
21482421
2.78
13
23.081
54329657
7.02
14
23.590
13672243
1.77
15
23.954
32758804
4.23
16
24.290
38988181
5.04
17
24.707
54213656
7.01
18
26.263
55313957
7.15
19
27.748
51962045
6.72
20
29.177
49997575
6.46
21
30.547
45737699
5.91
22
31.865
30161222
3.90
23
33.135
25428957
3.29
24
34.362
17517595
2.26
25
35.544
13968817
1.81
26
36.689
10340412
1.34
27
37.799
7931244
1.03
28
38.868
6289405
0.81
29
39.903
1217565
0.16
30
40.917
2775529
0.36
31
41.898
2725254
0.35
773582406
100.00
Analyzed by
Analyzed
Sample Type
Level #
Sample Name
Sample ID
IS Amount
Sample Amount
:
:
:
:
:
:
:
:
Admin
2/4/2015 10:43:17 AM
Unknown
1
Dilution Factor
Vial #
Injection Volume
Modified by
Modified
:
:
:
:
:
4 / 35
1
2
1.00
Admin
2/5/2015 8:43:36 AM
[1]=1
1
Similarity
Search Results
Data File
Method File
Tuning File
<< TARGET SPECTRUM >>

Peak No.:1 R.Time: 6.950 min
100
57
71
85
55
98
113
45
10
30
Hit#: 1
CompName:
100
50
70
90
Similarity Index: 93
Undecane
110
127
130
Library:NIST27.LIB
156
148
178
150
170
Formula: C11H24
231
190
210
CAS: 1120-21-4
230
282
250
317
270
290
310
270
290
310
MolWeight:156
57
43
41
71
85
27
98
14
10
30
Hit#: 2
CompName:
100
50
70
90
113
110
127
130
156
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
41
Me (CH 2 ) 9 Me
85
156
27
98
18
10
30
Hit#: 3
CompName:
100
50
70
90
Undecane
113
110
127
130
Library:NIST27.LIB
150
170
Formula: C11H24
190
210
CAS: 1120-21-4
230
250
270
290
310
270
290
310
MolWeight:156
57
43
41
71
85
27
98
15
10
30
Hit#: 4
CompName:
100
50
70
90
113
110
127
130
Library:WILEY7.LIB
Undecane, 3,7-dimethyl- (CAS)
43
156
150
170
Formula: C13 H28
190
210
CAS: 17301-29-0
230
250
MolWeight:184
57
71
Me (CH 2 ) 3 CHMe (CH 2 ) 3 CHMe CH 2 Me
85
41
27
99
21
10
30
50
70
90
113
110
127
130
155
150
169
170
184
190
210
230
250
270
290
310
5 / 35

100
57
71
85
55
98
113
45
10
30
Hit#: 5
CompName:
100
50
70
90
Tridecane
110
156
127
148
130
Library:NIST27.LIB
178
150
170
Formula: C13H28
231
190
210
CAS: 629-50-5
230
282
250
317
270
290
310
270
290
310
MolWeight:184
57
43
71
85
41
99
26
10
30
50
70
90
112
110
127
130
141
184
155
150
170
190
210
230
250
6 / 35

100
57
71
85
55
99
113
45
20
40
60
80
100
127
120
Hit#: 1
CompName: Dodecane
100
43
57
170
164
141
140
160
183
180
Library:NIST27.LIB
293
207
200
220
Formula: C12H26
240
260
280
CAS: 112-40-3
300
403
320
340
360
380
400
340
360
380
400
MolWeight:170
71
41
85
98
27
20
40
60
80
100
112
127
120
170
141
140
160
180
200
220
240
260
280
300
320
Hit#: 2
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
100
113
127
120
170
141
140
160
180
200
220
240
260
280
300
320
340
360
380
400
Hit#: 3
Library:WILEY7.LIB
MolWeight:170
100
43
57
Me (CH 2 ) 10 Me
71
41
85
27
98
20
40
60
80
100
112
127
120
170
141
140
160
180
200
220
240
260
280
300
320
340
360
380
400
Hit#: 4
Library:WILEY7.LIB
MolWeight:170
100
43
57
41
Me (CH 2 ) 10 Me
71
85
99
40
20
40
Hit#: 5
CompName:
100
60
80
100
113
127
120
Tridecane
170
141
140
160
Library:NIST27.LIB
180
200
220
Formula: C13H28
240
260
280
CAS: 629-50-5
300
320
340
360
380
400
340
360
380
400
MolWeight:184
57
43
71
85
41
99
27
20
40
60
80
100
112
127
120
141
140
155
160
184
180
200
220
240
260
280
300
320
7 / 35

100
57
71
85
55
99
113
45
20
40
Hit#: 1
CompName:
100
60
80
100
Tridecane
127
120
141
184
155
140
168
160
Library:NIST27.LIB
362
211
180
200
220
Formula: C13H28
240
CAS: 629-50-5
260
280
300
320
340
360
300
320
340
360
MolWeight:184
57
43
71
85
41
99
27
20
40
Hit#: 2
CompName:
100
60
80
100
112
127
120
141
184
155
140
160
180
200
220
Library:WILEY7.LIB
Formula: C14 H30
Tetradecane (CAS) n-Tetradecane $$ Isotetradecane $$
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#: 3
CompName:
100
60
80
100
Tetradecane
127
120
141
198
155
140
169
160
Library:NIST27.LIB
180
200
220
Formula: C14H30
240
CAS: 629-59-4
260
280
300
320
340
360
300
320
340
360
MolWeight:198
57
43
71
41
85
27
99
113
20
40
60
80
100
127
120
141
198
155
140
169
160
180
200
220
Hit#: 4
Library:WILEY7.LIB
Formula: C14 H30
CompName: Tetradecane (CAS) n-Tetradecane $$ Isotetradecane $$
100
43
57
240
CAS: 629-59-4
260
280
MolWeight:198
71
85
41
99
39
20
40
Hit#: 5
CompName:
100
Me (CH 2 ) 12 Me
60
80
100
Pentadecane
113
127
120
141
155
140
160
Library:NIST27.LIB
198
169
180
200
Formula: C15H32
220
240
CAS: 629-62-9
260
280
300
320
340
360
300
320
340
360
MolWeight:212
57
43
71
85
41
99
113
27
20
40
60
80
100
126
120
141
140
155
160
169
212
183
180
200
220
240
260
280
8 / 35

100
57
71
85
55
99
113
126
45
20
30
Hit#: 1
CompName:
100
40
50
60
70
80
90
43
57
30
120
130
150
160
CAS: 629-59-4
169
170
190
180
190
50
60
210
200
210
220
MolWeight:198
85
Me (CH 2 ) 12 Me
99
40
140
162
71
39
20
110
Library:WILEY7.LIB
Formula: C14 H30
41
Hit#: 2
CompName:
100
100
198
140
70
80
90
100
113
110
127
120
130
Library:WILEY7.LIB
Formula: C14 H30
141
140
155
150
198
169
160
CAS: 629-59-4
170
180
190
200
210
220
MolWeight:198
57
43
71
41
Me (CH 2 ) 12 Me
85
27
99
113
20
30
Hit#: 3
CompName:
100
40
50
60
70
Tetradecane
80
90
100
Library:NIST27.LIB
110
127
120
130
Formula: C14H30
141
140
198
155
150
169
160
CAS: 629-59-4
170
180
190
200
210
220
210
220
MolWeight:198
57
43
71
41
85
27
99
113
20
30
Hit#: 4
CompName:
100
40
50
60
70
Hexadecane
80
90
100
Library:NIST27.LIB
110
127
120
130
Formula: C16H34
141
140
198
155
150
169
160
CAS: 544-76-3
170
180
190
200
MolWeight:226
57
43
71
85
41
99
113
127
27
20
30
Hit#: 5
CompName:
100
40
50
60
70
Pentadecane
80
90
100
Library:NIST27.LIB
110
120
130
Formula: C15H32
141
140
155
150
169
160
CAS: 629-62-9
170
183
180
226
197
190
200
210
220
MolWeight:212
57
43
71
85
41
99
113
27
20
30
40
50
60
70
80
90
100
110
126
120
130
141
140
155
150
169
160
170
212
183
180
190
200
210
220
9 / 35

100
57
71
85
55
99
113
127
45
20
40
Hit#: 1
CompName:
100
60
80
100
Pentadecane
120
141
140
Library:NIST27.LIB
212
154
169
160
183
180
Formula: C15H32
202
225
200
220
CAS: 629-62-9
262
240
260
280
300
260
280
300
260
280
300
260
280
300
MolWeight:212
57
43
71
85
41
99
113
27
20
40
Hit#: 2
CompName:
100
60
80
100
Hexadecane
126
120
141
140
Library:NIST27.LIB
155
169
160
212
183
180
Formula: C16H34
200
220
CAS: 544-76-3
240
MolWeight:226
57
43
71
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
226
197
200
220
CAS: 629-78-7
240
MolWeight:240
57
43
71
85
41
99
113
27
20
40
Hit#: 4
CompName:
100
60
80
100
43
57
141
140
155
169
160
183
180
200
220
CAS: 629-59-4
240
MolWeight:198
85
Me (CH 2 ) 12 Me
99
40
240
197
71
39
20
120
Library:WILEY7.LIB
Formula: C14 H30
41
Hit#: 5
CompName:
100
127
60
80
113
100
127
120
141
140
155
198
169
160
180
Library:WILEY7.LIB
Formula: C18 H38
Octadecane (CAS) n-Octadecane $$ Octadecan $$
200
220
CAS: 593-45-3
240
260
280
300
MolWeight:254
57
43
71
85
Me (CH 2 ) 16 Me
41
99
27
20
40
60
80
100
113
127
120
141
140
155
160
169
183
180
197
200
254
211
220
240
260
280
300
10 / 35

100
57
71
85
99
55
113
127
45
20
40
Hit#: 1
CompName:
100
60
80
100
Hexadecane
120
141
140
Library:NIST27.LIB
155
175 183
160
180
Formula: C16H34
226
196
218
200
CAS: 544-76-3
247
220
240
266
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
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 / 35

100
57
71
85
99
55
113
127
141
155
169
183
45
20
40
Hit#: 1
CompName:
100
60
80
100
Eicosane
120
140
Library:NIST27.LIB
160
180
Formula: C20H42
197
240
211
200
232
220
CAS: 112-95-8
253
240
266
260
302
280
300
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
43
57
71
197
211
200
220
CAS: 593-45-3
282
225
240
260
280
300
MolWeight:254
85
41
Me (CH 2 ) 16 Me
99
113
127
141
155
40
20
40
Hit#: 3
CompName:
100
60
80
100
Heptadecane
120
140
Library:NIST27.LIB
169
160
183
180
Formula: C17H36
197
254
211
200
CAS: 629-78-7
225
220
240
260
280
300
260
280
300
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: C14 H30
43
57
71
240
197
200
CAS: 629-59-4
220
240
MolWeight:198
85
41
Me (CH 2 ) 12 Me
99
113
127
141
40
20
40
Hit#: 5
CompName:
100
60
80
100
Hexadecane
120
140
Library:NIST27.LIB
198
155
169
160
180
200
Formula: C16H34
CAS: 544-76-3
141
183
220
240
260
280
300
260
280
300
MolWeight:226
57
43
71
85
41
99
113
127
27
20
40
60
80
100
120
140
155
160
169
180
197
200
226
220
240
12 / 35

100
57
71
85
99
55
113
127
141
45
20
40
Hit#: 1
CompName:
100
60
80
100
120
140
175
155
160
180
Library:WILEY7.LIB
Formula: C18 H38
43
57
71
183
218
197
200
225
220
CAS: 593-45-3
246
254
272
240
260
280
300
MolWeight:254
85
41
Me (CH 2 ) 16 Me
99
113
127
141
155
40
20
40
Hit#: 2
CompName:
100
60
80
100
Eicosane
120
140
Library:NIST27.LIB
169
160
183
180
Formula: C20H42
197
254
211
200
225
220
CAS: 112-95-8
240
260
280
260
280
300
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
300
MolWeight:254
57
43
71
85
Me (CH 2 ) 16 Me
41
99
27
20
Hit#: 4
CompName:
100
40
60
80
113
100
127
120
141
140
155
169
160
183
180
197
254
211
200
220
Library:WILEY7.LIB
Docosane (CAS) n-Docosane $$ C22H46 STANDARD $$ Normal-docosane $$
240
260
280
300
MolWeight:310
57
43
71
85
Me (CH 2 ) 20 Me
41
99
113
127
39
20
Hit#: 5
CompName:
100
40
60
80
100
120
141
140
155
169
160
183
180
Library:WILEY7.LIB
Formula: C14 H30
43
57
71
197
211
200
CAS: 629-59-4
225
220
239
240
253
260
280
300
MolWeight:198
85
41
Me (CH 2 ) 12 Me
99
113
127
141
40
20
40
60
80
100
120
140
198
155
160
169
180
200
220
240
260
280
300
13 / 35

100
71
57
85
179
55
99
194
127
113
141
198
155
211
47
20
40
Hit#: 1
CompName:
100
60
80
100
120
140
160
Library:WILEY7.LIB
Formula: C18 H38
43
57
71
180
200
CAS: 593-45-3
224
220
267
253
240
240
260
282
280
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
160
Library:WILEY7.LIB
Formula: C14 H30
43
57
71
169
183
180
254
197
211
200
CAS: 629-59-4
225
220
240
260
280
MolWeight:198
85
41
Me (CH 2 ) 12 Me
99
113
127
141
40
20
40
Hit#: 3
CompName:
100
60
80
100
120
140
Library:NIST27.LIB
Hexadecane, 2,6,10,14-tetramethyl-
198
155
169
160
Formula: C20H42
180
200
CAS: 638-36-8
220
240
260
280
240
260
280
MolWeight:282
57
71
43
85
41
113
99
127
27
20
40
60
80
100
120
141
140
155
169
160
183
180
197
200
220
Hit#: 4
Library:WILEY7.LIB
MolWeight:282
CompName: Hexadecane, 2,6,10,14-tetramethyl- (CAS) Phytane $$ 2,6,10,14-Tetramethylhexadecane $$ Phytan $$ HEXADECAN, 2,6,10,14-TETRAMETH
YL- (PHYTAN) $$
100
57
71
43
Me 2CH (CH 2)3 CHMe (CH 2)3 CHMe (CH 2)3CHMe CH 2Me
85
41
99
113
127
27
20
40
60
80
100
120
141
140
155
169
160
183
180
197
200
220
240
260
280
Hit#: 5
Library:WILEY7.LIB
Formula: C19 H40 CAS: 1921-70-6
MolWeight:268
CompName: Pentadecane, 2,6,10,14-tetramethyl- (CAS) Pristane $$ PRISTANE (FIELD ION) $$ 2,6,10,14-Tetramethylpentadecane $$ Pristan $$ Norphy
tan $$ Norphytane $$ Bute hydrocarbon $$ 2,6,10,14-TETRAMETHYL PENTADECANE $$
100
71
57
43
Me 2 CH (CH 2 ) 3 CHMe (CH 2 ) 3 CHMe (CH 2 ) 3 CHMe 2
85
41
113
99
127
27
20
40
60
80
100
120
183
141
140
155
160
169
197
180
200
254
220
240
260
280
14 / 35

100
57
71
85
99
55
113
127
141
155
45
20
40
60
80
100
120
140
169
160
183
180
197
211
200
225
220
Hit#: 1
Library:WILEY7.LIB
Formula: C18 H38
CompName: Octadecane (CAS) n-Octadecane $$ Octadecan $$
100
43
57
71
85
239
240
257
268
260
285
280
CAS: 593-45-3
304
300
407
320
340
360
380
400
MolWeight:254
41
Me (CH 2 ) 16 Me
99
113
127
141
155
40
20
40
Hit#: 2
CompName:
100
60
80
100
120
Eicosane
140
169
160
183
180
Library:NIST27.LIB
197
254
211
200
225
220
Formula: C20H42
240
260
280
CAS: 112-95-8
300
320
340
360
380
400
340
360
380
400
360
380
400
MolWeight:282
57
71
43
85
41
99
113
127
27
20
40
Hit#: 3
CompName:
100
60
80
100
120
Tetracosane
141
140
155
169
160
183
180
Library:NIST27.LIB
197
211
200
282
225
220
240
260
Formula: C24H50
CAS: 646-31-1
183
239
280
300
320
MolWeight:338
57
43
71
85
41
99
113
127
39
20
40
Hit#: 4
CompName:
100
60
80
100
120
141
140
155
169
160
180
197
211
200
225
220
240
253
267
260
338
281
280
Library:WILEY7.LIB
Docosane (CAS) n-Docosane $$ C22H46 STANDARD $$ Normal-docosane $$
300
320
340
MolWeight:310
57
43
71
85
Me (CH 2 ) 20 Me
41
99
113
39
20
40
Hit#: 5
CompName:
100
60
80
100
127
120
Tetracosane
141
140
155
169
160
183
180
Library:NIST27.LIB
197
211
200
225
220
239
240
310
253
260
Formula: C24H50
CAS: 646-31-1
183
239
280
300
320
340
360
380
400
360
380
400
MolWeight:338
57
71
85
43
99
41
113
127
29
20
40
60
80
100
120
141
140
155
160
169
180
197
200
211
225
220
240
253
267
260
281
280
338
295
300
320
340
15 / 35

100
57
71
85
99
55
113
127
141
155
45
20
40
60
80
100
120
140
169
160
183
180
197
211
200
225
220
Hit#: 1
Library:WILEY7.LIB
Formula: C18 H38
100
43
57
71
85
239
240
253
282
268
260
280
CAS: 593-45-3
303
300
402
320
340
360
380
400
MolWeight:254
41
Me (CH 2 ) 16 Me
99
113
127
141
155
40
20
40
Hit#: 2
CompName:
100
60
80
100
120
Eicosane
140
169
160
183
180
Library:NIST27.LIB
197
254
211
200
225
220
Formula: C20H42
240
260
280
CAS: 112-95-8
300
320
340
360
380
400
340
360
380
400
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
Tetracosane (CAS) n-Tetracosane $$
197
211
200
282
225
220
Formula: C24 H50
240
260
280
CAS: 646-31-1
300
320
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
Tetracosane
141
140
155
169
160
183
180
Library:NIST27.LIB
197
211
200
225
220
239
240
253
267
260
Formula: C24H50
CAS: 646-31-1
183
239
281
280
338
295
300
320
340
360
380
400
360
380
400
360
380
400
MolWeight:338
57
71
85
43
99
41
113
127
29
20
40
Hit#: 5
CompName:
100
60
80
100
120
Tetracosane
141
140
155
169
160
180
Library:NIST27.LIB
197
211
200
225
220
240
253
267
260
Formula: C24H50
CAS: 646-31-1
183
239
281
280
338
295
300
320
340
MolWeight:338
57
43
71
85
41
99
113
127
39
20
40
60
80
100
120
141
140
155
160
169
180
197
200
211
225
220
240
253
267
260
338
281
280
300
320
340
16 / 35

100
57
71
85
99
55
113
127
141
155
169
183
46
20
40
60
80
100
120
140
160
180
197
220
239
200
220
240
253
267
260
288
280
Hit#: 1
Library:WILEY7.LIB
Formula: C18 H38
100
43
57
71
85
314 327
300
320
CAS: 593-45-3
465
340
360
380
400
420
440
460
MolWeight:254
41
Me (CH 2 ) 16 Me
99
113
127
141
155
40
20
40
Hit#: 2
CompName:
100
60
80
100
120
Eicosane
140
169
160
183
180
254
197
211
200
Library:NIST27.LIB
225
220
240
260
Formula: C20H42
280
300
CAS: 112-95-8
320
340
360
380
400
420
440
460
380
400
420
440
460
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
211
200
282
225
220
240
260
280
300
320
340
360
Hit#: 3
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
Hit#: 4
CompName:
100
60
80
100
120
Dotriacontane
141
140
155
169
160
183
180
197
211
200
Library:NIST27.LIB
225
220
239
240
267
260
Formula: C32H66
450
295
280
300
CAS: 544-85-4
320
340
360
380
400
420
440
460
MolWeight:450
57
71
85
43
99
113
41
127
141
29
20
40
Hit#: 5
CompName:
100
60
80
100
120
Octacosane
140
155
169
160
183
180
197
211
200
Library:NIST27.LIB
225
220
239
240
267
260
Formula: C28H58
450
295
280
300
CAS: 630-02-4
320
340
360
380
400
420
440
460
380
400
420
440
460
MolWeight:394
57
43
71
85
41
99
113
27
20
40
60
80
100
127
120
141
140
155
169
160
183
180
197
200
211
225
220
239
240
260
280
300
320
340
360
17 / 35

100
57
71
85
99
55
113
127
141
155
169
183
45
20
40
60
80
100
120
140
160
197
180
211
200
225
220
240 253
240
267
260
Hit#: 1
Library:WILEY7.LIB
Formula: C18 H38
100
43
57
71
85
310
281
300
280
300
329
320
CAS: 593-45-3
344
340
360
360
380
400
420
440
460
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
254
197
180
211
200
Library:WILEY7.LIB
225
220
240
260
280
Formula: C24 H50
300
320
CAS: 646-31-1
340
360
380
400
420
440
460
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
Tetracosane
141
140
155
169
160
183
180
197
211
200
Library:NIST27.LIB
225
220
239
240
253
267
260
Formula: C24H50
281
280
338
295
300
320
CAS: 646-31-1
340
360
380
400
420
440
460
380
400
420
440
460
380
400
420
440
460
MolWeight:338
57
71
85
43
99
41
113
127
29
20
40
Hit#: 4
CompName:
100
60
80
100
120
141
140
155
169
160
183
180
197
200
Library:NIST147.LIB
Hexatriacontane $$ n-Hexatriacontane $$
211
225
220
239
240
253
267
260
Formula: C36H74
281
280
338
295
300
320
CAS: 630-06-8
340
360
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
460
18 / 35

100
57
85
71
99
55
113
127
141
155
169
183
197
20
40
60
80
100
120
140
160
180
236
211
45
200
220
240
253
267
260
Hit#: 1
Library:WILEY7.LIB
Formula: C18 H38
100
43
57
71
85
281
280
295
320
300
CAS: 593-45-3
320
336
340
354
368
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
Library:WILEY7.LIB
254
197
211
200
225
220
240
260
Formula: C24 H50
280
300
CAS: 646-31-1
320
340
360
380
400
420
440
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
Tetracosane
141
140
155
169
160
183
180
Library:NIST27.LIB
197
211
200
225
220
239
240
253
267
260
Formula: C24H50
281
280
338
295
300
CAS: 646-31-1
320
340
360
380
400
420
440
380
400
420
440
380
400
420
440
MolWeight:338
57
71
85
43
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
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
19 / 35

100
57
71
85
99
55
113
127
141
155
169
183
197
46
20
40
Hit#: 1
CompName:
100
60
80
100
Tetracosane
120
140
160
Library:NIST27.LIB
180
211
200
231 239
220
Formula: C24H50
240
253
267
260
CAS: 646-31-1
281
302
280
300
316 326
320
338
340
354
367
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
360
380
MolWeight:506
57
71
43
85
99
113
41
127
141
155
27
20
40
Hit#: 5
CompName:
100
60
80
100
Tetracosane
120
140
169
160
Library:NIST27.LIB
183
180
197
211
200
225
220
Formula: C24H50
239
240
253
267
260
CAS: 646-31-1
281
280
295
309
300
MolWeight:338
57
43
71
85
41
99
113
127
39
20
40
60
80
100
120
141
140
155
160
169
183
180
197
200
211
225
220
239
240
253
267
260
338
281
280
300
320
340
20 / 35

100
57 71 85
99
55
113
127
141
45
20
50
80
110
155 169 183 197

211 225
140
Hit#: 1
CompName: Tetracosane
100
57
170
200
230
Library:NIST27.LIB
248
267 281 295 309 323 336 352 366 381 396
260
290
320
Formula: C24H50
350
380
CAS: 646-31-1
460
410
440
560
470
500
530
470
500
530
MolWeight:338
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
Hit#: 2
Library:WILEY7.LIB
CompName: Tetracosane (CAS) n-Tetracosane $$
100
57
260
290
338
320
Formula: C24 H50
350
380
CAS: 646-31-1
410
440
MolWeight:338
71
85
43
Me (CH 2 ) 22 Me
99
41
113
29
20
50
80
127 141
155 169 183
197 211 225 239 253 267 281
295
110
140
170
200
230
Hit#: 3
Library:NIST147.LIB
CompName: Hexatriacontane $$ n-Hexatriacontane $$
100
57
260
290
338
320
Formula: C36H74
350
380
CAS: 630-06-8
410
440
470
500
530
470
500
530
MolWeight:506
71
43
85
99
113
41
27
20
50
80
127 141
155 169 183 197
211 225 239 253 267 281 295 309
110
140
170
200
230
260
290
320
Hit#: 4
Library:WILEY7.LIB
Formula: C18 H38
100
43 57 71 85
350
380
CAS: 593-45-3
410
440
MolWeight:254
41
Me (CH 2 ) 16 Me
99
113
40
20
50
80
127 141 155

169 183 197
211 225
110
140
170
200
230
254
260
290
320
Hit#: 5
Library:WILEY7.LIB
Formula: C54 H110
CompName: TETRAPENTACOSAN $$ TETRAPENTACONTANE $$
100
57
350
380
CAS: 5856-66-6
410
440
470
500
530
470
500
530
MolWeight:759
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
440
21 / 35

100
57 71 85
99
55
113
127
45
20
50
80
110
141 155
169 183 197 211
225 239
140
170
200
230
262
267 281 295 309 323 337
260
290
320
358
350
Hit#: 1
Library:WILEY7.LIB
Formula: C54 H110
100
57
384
380
415 431
410
CAS: 5856-66-6
452
440
504
470
542
583
500
530
560
500
530
560
500
530
560
MolWeight:759
71
85
43
99
113 127
29
41
20
50
80
110
141 155
140
Hit#: 2
CompName: Tetrapentacontane
100
57
169 183 197 211 225 239

253 267 281 295 309
170
200
230
Library:NIST27.LIB
260
290
320
Formula: C54H110
350
380
CAS: 5856-66-6
410
440
470
MolWeight:758
71
85
43
99
113 127
29
41
20
50
80
110
141 155
140
169 183 197 211 225 239

253 267 281 295 309
170
200
230
Hit#: 3
Library:WILEY7.LIB
100
57
260
290
320
Formula: C24 H50
350
380
CAS: 646-31-1
410
440
470
MolWeight:338
71
85
43
Me (CH 2 ) 22 Me
99
41
113
29
20
50
80
110
127 141
155 169 183
197 211 225 239 253 267 281
295
140
Hit#: 4
100
57
170
200
230
Library:NIST27.LIB
260
290
338
320
Formula: C24H50
350
380
CAS: 646-31-1
410
440
470
500
530
560
500
530
560
500
530
560
MolWeight:338
71
85
43
99
41
113
29
20
50
80
110
127 141
155 169 183
197 211 225 239 253 267 281
295
140
170
200
230
Hit#: 5
Library:NIST147.LIB
100
57
260
290
338
320
Formula: C36H74
350
380
CAS: 630-06-8
410
440
470
MolWeight:506
71
43
85
99
113
41
27
20
50
80
110
127 141
155 169 183 197
211 225 239 253 267 281 295 309
140
170
200
230
260
290
320
350
380
410
440
470
22 / 35

100
57 71 85
99
55
113
127
51
20
40
60
80
100
120
141 155
169 183 197
211 225 239 253
267 280
140
160
180
200
220
240
260
295 309 323 337
280
Hit#: 1
Library:WILEY7.LIB
Formula: C18 H38
100
43 57 71 85
300
320
358
340
CAS: 593-45-3
360
380 392
380
407 420
400
420
473
447
440
460
491
480
MolWeight:254
41
Me (CH 2 ) 16 Me
99
113
20
40
Hit#: 2
CompName:
100
60
80
100
127 141 155

169 183 197
211 225
120
Tetracosane
140
160
180
200
Library:NIST27.LIB
220
254
240
260
280
Formula: C24H50
300
320
340
CAS: 646-31-1
360
380
400
420
440
460
480
400
420
440
460
480
MolWeight:338
57
71
85
43
99
41
20
40
Hit#: 3
CompName:
100
113
60
80
100
127 141
155 169 183
197 211 225 239 253 267 281
295
120
140
160
180
200
Library:WILEY7.LIB
220
240
260
280
Formula: C24 H50
300
338
320
340
CAS: 646-31-1
360
380
MolWeight:338
57
71
85
43
Me (CH 2 ) 22 Me
99
41
20
40
Hit#: 4
CompName:
100
113
60
80
100
127 141
155 169 183
197 211 225 239 253 267 281
295
120
140
160
180
200
220
240
260
280
Library:WILEY7.LIB
Formula: C54 H110
TETRAPENTACOSAN $$ TETRAPENTACONTANE $$
57
300
338
320
340
CAS: 5856-66-6
360
380
400
420
440
460
480
420
440
460
480
420
440
460
480
MolWeight:759
71
85
43
99
113 127
41
20
40
Hit#: 5
CompName:
100
60
80
100
120
Tetrapentacontane
57
141 155
140
169 183 197 211 225 239

253 267 281 295 309
160
180
200
Library:NIST27.LIB
220
240
260
280
Formula: C54H110
300
320
340
CAS: 5856-66-6
360
380
400
MolWeight:758
71
85
43
99
113 127
41
20
40
60
80
100
120
141 155
140
169 183 197 211 225 239

253 267 281 295 309
160
180
200
220
240
260
280
300
320
340
360
380
400
23 / 35

100
57 71 85
99
55
113
127141
155
169183197
45
20
60
100
140
180
Hit#: 1
100
57
211225 239253
220
267281 295309323 337351365 385
260
300
Library:NIST27.LIB
340
380
412 428 443 466
420
Formula: C24H50
460
553
512
500
CAS: 646-31-1
540
577
580
620
660
700
740
620
660
700
740
MolWeight:338
71
85
43
99
41
113
29
20
60
100
127141
155169183
140
180
197211225239253267281
220
260
338
295
300
Hit#: 2
Library:WILEY7.LIB
100
57
340
380
420
Formula: C24 H50
460
500
CAS: 646-31-1
540
580
MolWeight:338
71
85
43
Me (CH 2 ) 22 Me
99
41
113
29
20
60
100
127141
155169183
140
180
197211225239253267281
220
260
338
295
300
Hit#: 3
Library:NIST147.LIB
CompName: Tetracontane $$ n-Tetracontane $$
100
57
340
380
420
Formula: C40H82
460
500
CAS: 4181-95-7
540
580
620
660
700
740
620
660
700
740
620
660
700
740
660
700
740
MolWeight:562
71
43
85
99
113127
41
29
20
60
100
141155169
140
183197211225239253
180
220
267281295309
260
562
300
Hit#: 4
Library:NIST147.LIB
100
57
340
380
420
Formula: C36H74
460
500
CAS: 630-06-8
540
580
MolWeight:506
71
43
85
99
113
41
127141
27
20
60
100
155169183197211
140
180
Hit#: 5
CompName: Tetrapentacontane $$
100
57
225239253267281295309
220
260
300
Library:NIST147.LIB
340
380
420
Formula: C54H110
460
500
CAS: 5856-66-6
540
580
MolWeight:758
71
85
43
99
113
41
20
60
100
127141
155169183
140
180
197211225239253267
220
260
281295309323
300
340
380
420
460
500
540
580
620
24 / 35

100
57 71 85
99
55
113
127 141
155
45
20
50
80
110
140
169 183 197 211

225 239 253 267 281 295 309 323 337 351 365
379 393 408
170
200
230
260
290
320
350
Hit#: 1
Library:WILEY7.LIB
Formula: C54 H110
100
57
380
410
CAS: 5856-66-6
427 441 458
440
483 496
470
514 532 546
576 588
500
530
560
500
530
560
500
530
560
500
530
560
MolWeight:759
71
85
43
99
113 127
41
20
50
80
110
141 155
140
Hit#: 2
100
57
169 183 197 211 225 239

253 267 281 295 309
170
200
230
Library:NIST27.LIB
260
290
320
350
Formula: C24H50
380
410
CAS: 646-31-1
440
470
MolWeight:338
71
85
43
99
41
20
113
50
80
127 141
155 169 183
197 211 225 239 253 267 281
295
110
140
Hit#: 3
100
57
170
200
230
Library:NIST27.LIB
260
290
338
320
350
Formula: C54H110
380
410
CAS: 5856-66-6
440
470
MolWeight:758
71
85
43
99
113 127
41
20
50
80
110
141 155
140
169 183 197 211 225 239

253 267 281 295 309
170
200
230
Hit#: 4
Library:WILEY7.LIB
100
57
260
290
320
350
Formula: C24 H50
380
410
CAS: 646-31-1
440
470
MolWeight:338
71
85
43
Me (CH 2 ) 22 Me
99
41
20
113
50
80
110
127 141
155 169 183
197 211 225 239 253 267 281
295
140
170
200
230
260
290
338
320
Hit#: 5
Library:WILEY7.LIB
Formula: C18 H38
100
43 57 71 85
350
380
410
CAS: 593-45-3
440
470
500
530
560
MolWeight:254
41
Me (CH 2 ) 16 Me
99
113
20
50
80
110
127 141 155

169 183 197
211 225
140
170
200
230
254
260
290
320
350
380
410
440
470
500
530
560

100
45 51
20
Hit#: 1
CompName:
100
40
25 / 35
198
63
60
98
76
80
100
152
127
113
120
140
165
171
160
195
180
212
200
224
220
239
257 266
240
293
260
280
308
300
Library:NIST147.LIB
Formula: C13H10S CAS: 7372-88-5
MolWeight:198
Dibenzothiophene, 4-methyl- $$ 4-Methyldibenzothiophene $$ 4-Methyldibenzo[b,d]thiophene # $$
198
99
38 45
20
Hit#: 2
CompName:
100
40
63
60
76
86
80
139
113
100
120
152
140
165 171
160
195
180
Library:NIST147.LIB
Formula: C13H10S
Dibenzothiophene, 3-methyl- $$ 3-Methyldibenzo[b,d]thiophene # $$
200
220
CAS: 16587-52-3
240
260
280
300
280
300
MolWeight:198
198
28
27
14
20
Hit#: 3
CompName:
100
45
40
63
60
99
76
86
80
139
113
100
120
152
140
165
171
160
195
180
Library:WILEY7.LIB
Formula: C13 H10 S
Dibenzothiophene, 3-methyl- (CAS) 3-METHYLDIBENZOTHIOPHENE $$
200
220
CAS: 16587-52-3
240
260
MolWeight:198
198
28
27
14
20
Hit#: 4
CompName:
100
45
40
63
60
97
76
80
139
100
120
152
140
165
171
160
195
180
Library:WILEY7.LIB
Formula: C13 H10 S
Dibenzothiophene, 4-methyl- (CAS) 4-Methyldibenzothiophene $$
Me
200
220
CAS: 7372-88-5
240
260
280
300
MolWeight:198
198
Me
S
13
39 45
0
Hit#: 5
CompName:
100
20
40
63
60
80
100
139
113
120
Library:WILEY7.LIB
Methyldibenzothiophene $$
152
140
165 171
160
195
180
Formula: C13 H10 S
212
200
CAS: 30995-64-3
220
240
260
280
300
260
280
300
MolWeight:198
198
63 69 76
97
76
20
40
60
80
85
99
115
100
120
139
140
152
165
195
171
160
180
200
220
240

100
45 51
20
Hit#: 1
CompName:
100
40
26 / 35
198
63
60
85
71
80
99
100
152
127
113
120
140
165
175
160
180
195
200
220
240
220
240
256
268
260
281
280
Library:NIST147.LIB
MolWeight:198
198
99
38 45
20
Hit#: 2
CompName:
100
40
63
60
76
86
80
139
113
100
120
152
140
165 171
160
Library:NIST147.LIB
Formula: C13H10S
195
180
200
CAS: 16587-52-3
220
240
260
280
MolWeight:198
198
28
27
14
20
Hit#: 3
CompName:
100
45
40
63
60
99
76
86
80
139
113
100
120
152
140
165
171
160
Library:WILEY7.LIB
Formula: C13 H10 S
195
180
200
CAS: 7372-88-5
220
240
260
280
MolWeight:198
198
Me
S
13
39 45
20
Hit#: 4
CompName:
100
40
63
60
97
76
80
139
113
100
120
152
140
165 171
160
Library:WILEY7.LIB
Formula: C13 H10 S
195
180
200
CAS: 16587-52-3
212
220
240
260
MolWeight:198
198
28
27
14
0
Hit#: 5
CompName:
100
20
45
40
63
60
97
76
80
139
100
120
Library:WILEY7.LIB
152
140
165
171
160
Formula: C13 H10 S
Me
195
180
200
CAS: 30995-64-3
220
240
260
280
260
280
MolWeight:198
198
63 69 76
280
20
40
60
80
85
99
115
100
120
139
140
152
165
195
171
160
180
200
220
240

100
45
20
Hit#: 1
CompName:
100
40
198
85
71
55
60
80
99
119 127
100
120
Library:WILEY7.LIB
152
140
165
171
160
195
180
Formula: C13 H10 S
232
217
200
220
CAS: 30995-64-3
246
260 268
240
288
298
260
280
300
260
280
300
280
300
MolWeight:198
198
63 69 76
20
Hit#: 2
CompName:
100
27 / 35
40
60
85
80
99
115
100
120
139
152
140
165
195
171
160
180
Library:NIST147.LIB
Formula: C13H10S
200
220
CAS: 16587-52-3
240
MolWeight:198
198
28
27
14
20
Hit#: 3
CompName:
100
45
40
63
60
99
76
86
80
139
113
100
120
152
140
165
171
160
195
180
Library:WILEY7.LIB
Formula: C13 H10 S
200
220
CAS: 16587-52-3
240
260
MolWeight:198
198
28
27
14
20
Hit#: 4
CompName:
100
45
40
63
60
97
76
80
139
100
120
152
140
165
171
160
Library:WILEY7.LIB
Formula: C13 H10 S
Me
195
180
200
220
CAS: 7372-88-5
240
260
280
300
MolWeight:198
198
Me
S
13
39 45
0
Hit#: 5
CompName:
100
20
40
63
60
97
76
80
139
113
100
120
152
140
165 171
160
195
180
200
212
220
240
260
280
300
Library:NIST147.LIB
MolWeight:198
198
99
38 45
20
40
63
60
76
80
86
139
113
100
120
140
152
165 171
160
195
180
200
220
240
260
280
300

100
30
Hit#: 1
CompName:
100
69
55
45
10
50
28 / 35
212
79
70
92
90
197
105
120
110
152
133
130
150
165
178
195
170
190
229
210
Library:NIST147.LIB
Naphtho[2,3-b]thiophene, 4,9-dimethyl- $$ 4,9-Dimethylnaphtho[2,3-b]thiophene # $$
230
260
241
250
274
284
270
295
290
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
184
170
190
210
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 $$
230
250
270
290
MolWeight:212
212
Me
S
197
39 45
15
10
Hit#: 3
CompName:
100
30
63
50
76
70
92
90
106
139
115
110
130
152
150
165
178
Me
184
170
190
210
230
250
270
290
Library:NIST147.LIB
MolWeight:212
2,8-Dimethyldibenzo(b,d)thiophene $$ 2,8-Dimethyldibenzothiophene $$ Dibenzothiophene, 2,8-dimethyl- $$
212
S
105
197
92
50
10
Hit#: 4
CompName:
ene $$
100
30
79
63
50
70
139
115
90
110
130
152
150
165
178
170
195
190
210
230
250
270
290
Library:WILEY7.LIB
Formula: C14 H12 S CAS: 1207-15-4
MolWeight:212
2,8-Dimethyldibenzothiophene $$ Dibenzothiophene, 2,8-dimethyl- (CAS) 1,3-Dimethyldibenzothiophene $$ 2,8-Dimethyldibenzo(B,D)thioph
212
S
Me
Me
105
197
92
50
10
Hit#: 5
CompName:
chloride $$
100
30
50
79
63
70
139
115
90
110
130
152
150
165
178
170
195
190
210
230
250
270
290
Library:WILEY7.LIB
Formula: C14 H16 N2 CAS: 612-82-8
MolWeight:212
[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-, dihydrochloride $$ Benzidine, 3,3'-dimethyl-, dihydrochloride $$ 3,3'-Dimethylbenzidine dihydro
212
Me
Me
H2N
NH 2
@ 2HCl
39
10
30
77
50
70
90
106 115
130
110
130
152
150
167
170
180
195
190
210
230
250
270
290

100
69
45 51
10
30
Hit#: 1
CompName:
ene $$
100
50
29 / 35
212
79
70
92
105
139
115
90
110
130
152
150
165
178
195
170
190
231
210
230
243
254
250
306
278
270
290
Library:WILEY7.LIB
Formula: C14 H12 S CAS: 1207-15-4
MolWeight:212
212
S
Me
Me
105
197
92
50
10
30
Hit#: 2
CompName:
100
79
63
50
70
139
115
90
110
130
152
150
165
178
195
170
190
210
230
250
270
290
Library:NIST147.LIB
MolWeight:212
212
S
105
197
92
50
10
30
Hit#: 3
CompName:
100
79
63
50
70
139
115
90
110
130
152
150
165
178
195
170
190
210
Library:NIST147.LIB
230
250
270
290
MolWeight:212
212
197
39 45
15
10
30
Hit#: 4
CompName:
100
63
50
76
70
92
90
106
139
115
110
130
152
150
165
178
184
170
190
210
Library:WILEY7.LIB
Formula: C14 H12 S CAS: 16587-34-1
230
250
270
290
MolWeight:212
212
Me
S
197
39 45
15
10
Hit#: 5
CompName:
chloride $$
100
30
63
50
76
70
92
90
106
139
115
110
130
152
150
165
178
Me
184
170
190
210
230
250
270
290
Library:WILEY7.LIB
Formula: C14 H16 N2 CAS: 612-82-8
MolWeight:212
[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-, dihydrochloride $$ Benzidine, 3,3'-dimethyl-, dihydrochloride $$ 3,3'-Dimethylbenzidine dihydro
212
Me
Me
H2N
NH 2
@ 2HCl
39
10
30
77
50
70
90
106 115
130
110
130
152
150
167
170
180
195
190
210
230
250
270
290

100
30 / 35
212
197
69 79
45 51
10
30
Hit#: 1
CompName:
100
50
70
92
90
105
119
110
139
130
152
150
165
178
170
195
190
210
228
248 260 270 280
230
250
270
294
290
Library:NIST147.LIB
324
310
406
330
350
370
390
410
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
270
290
Library:WILEY7.LIB
Formula: C14 H12 S CAS: 16587-34-1
310
330
350
370
390
410
MolWeight:212
212
Me
S
197
39 45
15
10
30
Hit#: 3
CompName:
ene $$
100
63
50
76
70
92
90
106
139
115
110
130
152
150
165
Me
178
170
190
210
230
250
270
290
310
330
350
370
390
410
Library:WILEY7.LIB
Formula: C14 H12 S CAS: 1207-15-4
MolWeight:212
212
S
Me
Me
105
197
92
50
10
30
Hit#: 4
CompName:
100
79
63
50
70
139
115
90
110
130
152
150
165
178
170
195
190
210
230
250
270
290
310
330
350
370
390
410
390
410
Library:NIST147.LIB
MolWeight:212
212
S
105
197
92
50
10
30
Hit#: 5
CompName:
100
50
79
63
70
139
115
90
110
130
152
150
165
178
170
195
190
210
230
Library:WILEY7.LIB
Formula: C14 H12 S
3,4-Dimethyldibenzothiophene $$ Dibenzothiophene, 3,4-dimethyl- (CAS)
250
270
290
CAS: 23654-30-0
310
330
350
370
MolWeight:212
212
Me
S
197
Me
198
10
30
50
70
90
110
130
150
170
190
210
230
250
270
290
310
330
350
370
390
410
31 / 35

100
57 71 85
99
55
113 127
141 155
52
20
50
80
110
140
Hit#: 1
100
57
169 183 197 211 225

239 253 267 281 295 309 323 337 351
170
200
230
Library:NIST27.LIB
260
290
320
350
Formula: C54H110
375 392 407 422
380
410
CAS: 5856-66-6
444
440
463
482 494 510 526 544
470
564
500
530
560
500
530
560
500
530
560
500
530
560
586
MolWeight:758
71
85
43
99
113 127
29
41
20
50
80
110
141 155
140
169 183 197 211 225 239

253 267 281 295 309
170
200
230
260
290
320
350
Hit#: 2
Library:WILEY7.LIB
Formula: C54 H110
100
57
380
410
CAS: 5856-66-6
440
470
MolWeight:759
71
85
43
99
113 127
29
41
20
50
80
110
141 155
140
Hit#: 3
100
57
169 183 197 211 225 239

253 267 281 295 309
170
200
230
Library:NIST27.LIB
260
290
320
350
Formula: C24H50
380
410
CAS: 646-31-1
440
470
MolWeight:338
71
85
43
99
41
113
29
20
50
80
110
127 141
155 169 183
197 211 225 239 253 267 281
295
140
170
200
230
Hit#: 4
Library:WILEY7.LIB
100
57
260
290
338
320
350
Formula: C24 H50
380
410
CAS: 646-31-1
440
470
MolWeight:338
71
85
43
Me (CH 2 ) 22 Me
99
41
113
29
20
50
80
110
127 141
155 169 183
197 211 225 239 253 267 281
295
140
170
200
230
Hit#: 5
Library:NIST147.LIB
100
57
260
290
338
320
Formula: C36H74
350
380
410
CAS: 630-06-8
440
470
500
530
560
500
530
560
MolWeight:506
71
43
85
99
113
41
27
20
50
80
110
127 141
155 169 183 197
211 225 239 253 267 281 295 309
140
170
200
230
260
290
320
350
380
410
440
470
32 / 35

100
57 71
85
99
55
113
127
141
155169183
47
20
60
100
140
180
197
210 225239253
220
281295309 323 342
260
300
340
365379 393
380
418 432 454 475
499 521 541
420
500
Hit#: 1
Library:WILEY7.LIB
Formula: C54 H110
100
57
460
CAS: 5856-66-6
570
540
596
580
620
660
700
740
660
700
740
660
700
740
620
660
700
740
620
660
700
740
620
660
700
740
MolWeight:759
71
85
43
99
113
41
20
60
100
127141
155169183
140
180
Hit#: 2
CompName: Tetrapentacontane $$
100
57
197211225239253267
220
260
281295309323
300
Library:NIST147.LIB
340
380
420
Formula: C54H110
460
500
CAS: 5856-66-6
540
580
620
MolWeight:758
71
85
43
99
113
41
20
60
100
127141
155169183
140
180
197211225239253267
220
260
281295309323
300
340
380
420
Hit#: 3
Library:WILEY7.LIB
Formula: C54 H110
100
57
460
500
CAS: 5856-66-6
540
580
620
MolWeight:759
71
85
43
99
113127
41
20
60
100
141155
140
169183197211225239
180
Hit#: 4
100
57
220
253267281295309
260
300
Library:NIST27.LIB
340
380
420
Formula: C54H110
460
500
CAS: 5856-66-6
540
580
MolWeight:758
71
85
43
99
113127
41
20
60
100
141155
140
169183197211225239
180
220
253267281295309
260
300
Hit#: 5
Library:NIST147.LIB
CompName: Tetracontane $$ n-Tetracontane $$
100
57
340
380
420
Formula: C40H82
460
500
CAS: 4181-95-7
540
580
MolWeight:562
71
43
85
99
113127
41
20
60
100
141155169
140
183197211225239253
180
220
267281295309
260
300
562
340
380
420
460
500
540
580
33 / 35

100
71 85
57
99
113
55
127
141
156
45
20
50
80
110
140
Hit#: 1
100
57
169 183 197 211 225
170
200
239 253
230
Library:NIST27.LIB
279 295
260
290
339 351 365 379 393
316
320
350
Formula: C24H50
380
419 432
410
CAS: 646-31-1
451
440
472 484
470
517
539 556
500
530
560
500
530
560
584
MolWeight:338
71
85
43
99
41
20
113
50
80
110
127 141
155 169 183
197 211 225 239 253 267 281
295
140
170
200
230
Hit#: 2
Library:WILEY7.LIB
100
57
260
290
338
320
350
Formula: C24 H50
380
410
CAS: 646-31-1
440
470
MolWeight:338
71
85
43
Me (CH 2 ) 22 Me
99
41
20
113
50
80
110
127 141
155 169 183
197 211 225 239 253 267 281
295
140
170
200
230
260
290
338
320
Hit#: 3
Library:WILEY7.LIB
Formula: C18 H38
100
43 57 71 85
350
380
410
CAS: 593-45-3
440
470
500
530
560
MolWeight:254
41
Me (CH 2 ) 16 Me
99
113
20
50
80
110
127 141 155

169 183 197
211 225
140
170
200
230
Hit#: 4
Library:NIST147.LIB
CompName: Triacontane $$ n-Triacontane $$
100
57
254
260
290
320
Formula: C30H62
350
380
410
CAS: 638-68-6
440
470
500
530
560
500
530
560
MolWeight:422
71
85
43
99
41
20
50
80
113 127
141 155 169 183
197 211 225 239 253 267 281
295 309
110
140
170
200
230
Hit#: 5
Library:WILEY7.LIB
CompName: Hexatriacontane (CAS) n-Hexatriacontane $$
100
57
260
290
320
Formula: C36 H74
422
350
380
410
CAS: 630-06-8
440
470
MolWeight:507
71
85
Me (CH 2 ) 34 Me
43
99
113
41
20
50
80
110
127 141
155 169 183
197 211 225 239 253 267 281 295
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
34 / 35

100
57 71
85
99
113
127
55
141155
169
50
20
60
100
140
183197
180
223 239253 267
220
297
260
323337 355
300
340
376 395
420 442
380
420
Hit#: 1
Library:WILEY7.LIB
Formula: C54 H110
100
57
471 486 506 525
460
500
559 582 600
540
CAS: 5856-66-6
580
620
660
700
740
620
660
700
740
620
660
700
740
620
660
700
740
660
700
740
660
700
740
MolWeight:759
71
85
43
99
113127
41
20
60
100
141155
140
169183197211225239
180
220
Hit#: 2
100
57
253267281295309
260
300
Library:NIST27.LIB
340
380
420
Formula: C54H110
460
500
540
CAS: 5856-66-6
580
MolWeight:758
71
85
43
99
113127
41
20
60
100
141155
140
169183197211225239
180
220
Hit#: 3
CompName: HEXACONTAN $$
100
57
253267281295309
260
300
Library:WILEY7.LIB
340
380
420
Formula: C60 H122
460
500
CAS: 0-00-0
540
580
MolWeight:843
71
85
43
99
113
127
41
20
60
100
141155
140
169183197
180
211225239253267
220
Hit#: 4
CompName: Hexacontane $$
100
57
281
260
300
Library:NIST147.LIB
340
380
420
Formula: C60H122
460
500
CAS: 7667-80-3
540
580
MolWeight:842
71
85
43
99
113
41
20
60
100
127
141155
140
169183197
180
211225239253267
220
260
281
300
340
380
420
Hit#: 5
Library:WILEY7.LIB
Formula: C54 H110
100
57
460
500
CAS: 5856-66-6
540
580
620
MolWeight:759
71
85
43
99
113
41
20
60
100
127141
155169183
140
180
197211225239253267
220
260
281295309323
300
340
380
420
460
500
540
580
620
35 / 35

100
57
85
71
99 113
55
127 141
155
191
169
207 225
239
45
20
50
80
110
140
Hit#: 1
CompName: HEXACONTAN $$
100
57
170
200
254 267
230
260
Library:WILEY7.LIB
287
290
335 350
306
320
350
Formula: C60 H122
376 390 404 420
440 457
380
440
410
CAS: 0-00-0
468
496
470
500
530
560
590
500
530
560
590
500
530
560
590
500
530
560
590
530
560
590
530
557568 583
MolWeight:843
71
85
43
99
113
127
41
20
50
80
110
141 155
169 183 197
211 225 239 253 267
281
140
Hit#: 2
CompName: Hexacontane $$
100
57
170
200
230
260
Library:NIST147.LIB
290
320
350
Formula: C60H122
380
410
CAS: 7667-80-3
440
470
MolWeight:842
71
85
43
99
113
127
41
20
50
80
110
141 155
169 183 197
211 225 239 253 267
281
140
Hit#: 3
100
57
170
200
230
260
Library:NIST27.LIB
290
320
350
Formula: C54H110
380
410
CAS: 5856-66-6
440
470
MolWeight:758
71
85
43
99
113 127
41
20
50
80
110
141 155
140
169 183 197 211 225 239

253 267 281 295 309
170
200
230
260
290
320
350
Hit#: 4
Library:WILEY7.LIB
Formula: C54 H110
100
57
380
410
CAS: 5856-66-6
440
470
MolWeight:759
71
85
43
99
113 127
41
20
50
80
110
141 155
140
169 183 197 211 225 239

253 267 281 295 309
170
200
230
260
290
320
Hit#: 5
Library:WILEY7.LIB
Formula: C18 H38
100
43 57 71 85
350
380
410
CAS: 593-45-3
440
470
500
MolWeight:254
41
Me (CH 2 ) 16 Me
99
113
127 141 155
169 183 197
211 225
20
50
80
110
140
170
200
230
254
260
290
320
350
380
410
440
470
500
530
560
590

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Qualitative Analysis Report

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

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

Qualitative Analysis Report

Qualitative Analysis Report

Qualitative Analysis Report

<< TARGET SPECTRUM >>

Formula: C13 H28

Me (CH 2 ) 3 CHMe (CH 2 ) 3 CHMe CH 2 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 >>

Qualitative Analysis Report

<< TARGET SPECTRUM >>

Qualitative Analysis Report

<< TARGET SPECTRUM >>

Formula: C24 H50

Qualitative Analysis Report

<< TARGET SPECTRUM >>

Qualitative Analysis Report

<< TARGET SPECTRUM >>

Formula: C24 H50

Qualitative Analysis Report

<< TARGET SPECTRUM >>

Formula: C24 H50

Qualitative Analysis Report

<< TARGET SPECTRUM >>

Formula: C24 H50

Qualitative Analysis Report

<< TARGET SPECTRUM >>

155 169 183 197

Formula: C24 H50

127 141 155

169 183 197 211 225 239

Qualitative Analysis Report

<< TARGET SPECTRUM >>

169 183 197 211 225 239

169 183 197 211 225 239

Formula: C24 H50

Qualitative Analysis Report

<< TARGET SPECTRUM >>

295 309 323 337

127 141 155

Formula: C24 H50

169 183 197 211 225 239

169 183 197 211 225 239

Qualitative Analysis Report

<< TARGET SPECTRUM >>