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A b u n d a n c e
T IC : 1 9 0 .D
2 . 45 91
2 4 0 0 0 0
2 2 0 0 0 0
3 .1 8
2 0 0 0 0 0
4 .0 8
5 .2 3
1 8 0 0 0 0
6 .6 3
1 6 0 0 0 0
8 .2 9
1 0 .1 5
1 4 0 0 0 0
1 2 .1 7
1 2 0 0 0 0
1 0 0 0 0 0
2 .7 6
1 4 .5 9
8 0 0 0 0
3 .5 2
4 .5 4
6 0 0 0 0
1 7 .7 6
5 .1 5
4 0 0 0 0
6 .5 5
8 .1 9
5 .8 3
7 .3 8
9 . 11 80 . 0 15 1 . 1 2
6 .0 6
2 1 . 9 57
22 77 .. 55 47
2 0 0 0 0
4 .0 0
6 .0 0
8 .0 0
1 0 .0 0
1 2 .0 0
1 4 .0 0
1 6 .0 0
1 8 .0 0
2 0 .0 0
2 2 .0 0
2 4 .0 0
2 6 .0 0
2 8 .0 0
3 0 .0 0
T im e - - >
100
57
71
50
85
99
113
127
141 155
169 183 197 211
225 239 253 267 281 295
0
50
70
90
(replib) Heptacosane
110
130
150
170
190
210
230
250
270
290
310
330
350
100
111
69
185
369
50
258
443
736
626
534
0
20
130
(mainlib) Nonactin
240
350
460
570
680
130
100
Cl O
102
50
0
26 37
50
65
N
75
20
40
60
80
(mainlib) 3-Cyanobenzoyl chloride
Name: 3-Cyanobenzoyl chloride
165
100
120
140
160
180
100
57
O
OH
71
50
85
97
111
125
141
169 196
224 252 283
0
50
100
150
200
(mainlib) Ethanol, 2-(octadecyloxy)-
250
300
350
MW: 314 Formula:
100
57
71
50
85
99
113
141
169 197
225 253 281
0
50
100
150
(replib)
Heptacosane
C8H4ClNO
200
250
300
350
MW:
91
100
O
O
50
55
69
83
108
207
125 147
179
282
0
50
100
150
200
250
300
350
(mainlib)
9-Octadecenoic
acid
(Z
)-,
phenylmethyl
ester
380
Formula: C25H40O2
141
100
186
O
O
OH
50
95
81
354
55
115
168
213 244
336
0
50
100
150
200
250
300
350
(mainlib)
Naphthalen-2-yl-acetic
acid,
6-hydroxy-6-methyl-cyclodecyl
ester
MW: 372
Formula: C
23H30O3
100
O
O
55
50
81
67
99
111
141
167
198 226
268
0
50
100
150
200
250
300
(mainlib)
7-Methyl-Z
-tetradecen-1-ol
acetate
MW: 354
MW: 268
350
Formula: C17H32O2
MW:
111
100
69
185
369
50
258
443
534
736
626
0
20
130
(mainlib)
Nonactin
165
57
100
240
350
460
570
680
71
50
85
99
113
141
169 197
225 253 281
0
50
100
150
(replib) Heptacosane
Formula: C27H56
200
250
300
350
Name: Heptacosane
100
55
69
O
O
O
83
50
97
109
123
137
149
181 209
237 266
0
50
100
150
200
250
300
(mainlib)
2-Dodecen-1-yl(-)succinic
anhydride
MW: 380
MW: 266
peak R.T. first max last PK peak
corr. corr. % of
# min scan scan scan TY height area % max. total
--- ----- ----- ---- ---- --- ------- ------- ------ ------1 2.484 81 98 102 PV 3 153516 3497617 64.69% 7.228%
2 2.513 102 105 119 VV 155092 2526127 46.72% 5.221%
3 2.764 145 166 189 PV 20545 840336 15.54% 1.737%
4 3.184 242 268 279 BV 4 143857 5262970 97.35% 10.877%
5 3.525 334 351 364 VV 10 19548 691426 12.79% 1.429%
6
7
8
9
10
4.077
4.542
5.155
5.225
5.826
452 485 507 VV
584 598 609 VV
723 747 751 PV 7
751 764 779 VV
895 910 928 PV
145490
18680
32450
146879
15820
11
12
13
14
6.550
6.633
7.382
8.188
1070 1086 1091 VV
1091 1106 1126 VV 2
1273 1288 1305 PV 2
1464 1484 1492 PV 2
5406436 100.00% 11.173%
464247 8.59% 0.959%
880670 16.29% 1.820%
4099982 75.84% 8.473%
467987 8.66% 0.967%
23580
133647
13740
20049
670097 12.39% 1.385%
3859316 71.38% 7.976%
432877 8.01% 0.895%
640156 11.84% 1.323%
350
Formula: C16H26O3
15 8.287 1492 1508 1532 VV
126563 3798526 70.26% 7.850%
16
17
18
19
20
9.176 1703 1724 1737 PV 13436 374927 6.93% 0.775%
10.053 1922 1937 1944 PV 15483 498029 9.21% 1.029%
10.147 1944 1960 1981 VV 2 111983 3360164 62.15% 6.944%
11.164 2189 2207 2209 PV 2 3551 14036 0.26% 0.029%
12.057 2401 2424 2432 BV 2 10254 280315 5.18% 0.579%
21
22
23
24
25
12.168
14.588
17.757
21.947
21.975
2432 2451 2466 VV 4
3018 3039 3059 BV 5
3770 3809 3836 VV 5
4786 4827 4830 PV 7
4830 4834 4855 VV 6
26 27.540 6159 6186 6190 PV 6
27 27.564 6190 6192 6195 VV 4
Signal
93956
63532
47324
25481
25218
3082107 57.01%
2588639 47.88%
2585001 47.81%
1003701 18.56%
826386 15.29%
6.370%
5.350%
5.342%
2.074%
1.708%
5428 205556 3.80% 0.425%
4244 29229 0.54% 0.060%
Sum of corrected areas:
: 190.D\TST1A.CH
48386860
peak R.T. Start End PK peak
corr. corr. % of
# min min
min TY height area % max. total
--- ----- ----- ----- --- ------- ------- ------ -----1 0.250 0.035 0.468 BV 947034 76002472 100.00% 4.114%
2 0.750 0.468 0.958 PV 94687 7596625 10.00% 0.411%
3 1.250 0.958 1.431 PV 9454 756254 1.00% 0.041%
4 1.750 1.431 1.970 PV 946865 76002472 100.00% 4.114%
5 2.250 1.970 2.463 PV 94669 7596625 10.00% 0.411%
6 2.750
7 3.250
8 3.750
9 4.250
10 4.750
2.463
2.936
3.470
3.963
4.436
2.936 PV 9451 756254 1.00% 0.041%
3.470 PV 946865 76002472 100.00% 4.114%
3.963 PV 94669 7596625 10.00% 0.411%
4.436 PV 9451 756254 1.00% 0.041%
4.970 PV 946865 76002472 100.00% 4.114%
11
12
13
14
15
5.250
5.750
6.250
6.750
7.250
4.970
5.463
5.936
6.470
6.963
5.463
5.936
6.470
6.963
7.436
PV 94669 7596625 10.00% 0.411%
PV 9452 756254 1.00% 0.041%
PV 946865 76002472 100.00% 4.114%
PV 94669 7596625 10.00% 0.411%
PV 9452 756254 1.00% 0.041%
16
17
18
19
20
7.750
8.250
8.750
9.250
9.750
7.436
7.970
8.463
8.936
9.470
7.970
8.463
8.936
9.470
9.963
PV 946865 76002472 100.00% 4.114%
PV 94669 7596625 10.00% 0.411%
PV 9452 756254 1.00% 0.041%
PV 946865 76002472 100.00% 4.114%
PV 94669 7596625 10.00% 0.411%
21 10.250
22 10.750
23 11.250
24 11.750
25 12.250
9.963 10.436 PV 9452 756254 1.00% 0.041%
10.436 10.970 PV 946865 76002472 100.00% 4.114%
10.970 11.463 PV 94669 7596625 10.00% 0.411%
11.463 11.936 PV 9452 756254 1.00% 0.041%
11.936 12.470 PV 946865 76002472 100.00% 4.114%
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