qgd
68.656
63.566
53.330
56.127
59.505
47.334
10.0
Peak#
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
Library
R.Time
2.981
3.158
3.340
4.281
4.368
4.437
4.626
4.697
4.903
5.377
5.432
5.569
6.172
6.620
6.812
12.659
22.680
24.251
25.307
27.813
30.062
30.200
30.252
32.469
32.603
34.620
36.713
39.124
41.974
44.144
45.804
47.334
49.034
51.005
53.330
56.127
59.505
63.566
68.656
20.0
I.Time
2.943
3.130
3.310
4.230
4.350
4.393
4.563
4.657
4.757
5.317
5.410
5.533
6.123
6.573
6.747
12.567
22.637
24.167
25.237
27.760
29.987
30.150
30.237
32.410
32.553
34.520
36.630
39.047
41.897
44.070
45.760
47.263
48.960
50.910
53.237
55.997
59.370
63.447
68.453
30.0
F.Time
3.010
3.203
3.373
4.323
4.393
4.487
4.657
4.757
4.970
5.410
5.497
5.610
6.270
6.653
6.853
12.703
22.743
24.327
25.350
27.893
30.123
30.230
30.303
32.533
32.670
34.707
36.780
39.213
42.053
44.213
45.867
47.400
49.103
51.100
53.417
56.220
59.640
63.767
68.797
Area
19890
41456
19962
41567
5814
471306
2101925
1948013
876980734
14873444
4837094
35185
966338
56098
71552
56465
47460
68587
59428
89452
130253
43199
31181
133129
56711
203330
207363
216684
233864
319359
397232
520438
642603
820242
760249
844881
699445
674406
472735
910199074
41.974
39.124
36.713
34.620
32.469
32.603
30.062
30.200
30.252
27.813
24.251
25.307
22.680
12.659
5.569
6.620
6.812
2.981
3.158
3.340
4.281
4.368
44.144
4.437
45.804
51.005
4.697
4.626
6.172 4.903
5.377
5.432
49.034
TIC
600,000
40.0
Peak Report TIC
Area%
Height
0.00
15019
0.00
24560
0.00
12853
0.00
22995
0.00
6584
0.05
242156
0.23
834281
0.21
554697
96.35
133350431
1.63
8108523
0.53
2777484
0.00
19913
0.11
505659
0.01
27910
0.01
35499
0.01
17416
0.01
16715
0.01
17227
0.01
20986
0.01
30884
0.01
40832
0.00
20262
0.00
14437
0.01
44619
0.01
16448
0.02
51091
0.02
59746
0.02
51186
0.03
61721
0.04
106289
0.04
149445
0.06
170494
0.07
183454
0.09
194682
0.08
169354
0.09
140729
0.08
89710
0.07
75069
0.05
47174
100.00
148328534
50.0
Height%
0.01
0.02
0.01
0.02
0.00
0.16
0.56
0.37
89.90
5.47
1.87
0.01
0.34
0.02
0.02
0.01
0.01
0.01
0.01
0.02
0.03
0.01
0.01
0.03
0.01
0.03
0.04
0.03
0.04
0.07
0.10
0.11
0.12
0.13
0.11
0.09
0.06
0.05
0.03
100.00
60.0
70.0
min
41
71
57
86
35
133 149
107
251 265
0
30
60
90
120
150
180
210
240
Hit#:1 Entry:4166 Library:Wiley9.lib
SI:92 Formula:C6H14 CAS:107-83-5 MolWeight:86 RetIndex:0
CompName:Pentane, 2-methyl- (CAS) $$ 2-Methylpentane $$ Isohexane
100
43
27
41
270
293
300
330
360
372 385
390
408
420
450
482
500
480
71
57
86
0
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:2 Entry:4170 Library:Wiley9.lib
SI:92 Formula:C6H14 CAS:107-83-5 MolWeight:86 RetIndex:0
CompName:Pentane, 2-methyl- (CAS) $$ 2-Methylpentane $$ Isohexane $$ (CH3)2CH(CH2)2CH3 $$ Methyl pentane $$ UN 1208 $$ UN 2462 $$ 1,1-DIMETHYLBUTANE $$ 2-METHY
100
43
27
41
71
57
86
0
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:3 Entry:4174 Library:Wiley9.lib
SI:91 Formula:C6H14 CAS:107-83-5 MolWeight:86 RetIndex:0
CompName:Pentane, 2-methyl- (CAS) $$ 2-Methylpentane $$ Isohexane $$ (CH3)2CH(CH2)2CH3 $$ Methyl pentane $$ UN 1208 $$ UN 2462 $$ 1,1-DIMETHYLBUTANE $$ 2-METHY
100
43
41
39
71
57
86
0
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:4 Entry:4169 Library:Wiley9.lib
SI:91 Formula:C6H14 CAS:107-83-5 MolWeight:86 RetIndex:0
CompName:Pentane, 2-methyl- (CAS) $$ 2-Methylpentane $$ Isohexane $$ (CH3)2CH(CH2)2CH3 $$ Methyl pentane $$ UN 1208 $$ UN 2462 $$ 1,1-DIMETHYLBUTANE $$ 2-METHY
100
43
27
41
71
57
86
0
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:5 Entry:4168 Library:Wiley9.lib
SI:91 Formula:C6H14 CAS:107-83-5 MolWeight:86 RetIndex:0
CompName:Pentane, 2-methyl- (CAS) $$ 2-Methylpentane $$ Isohexane $$ (CH3)2CH(CH2)2CH3 $$ Methyl pentane $$ UN 1208 $$ UN 2462 $$ 1,1-DIMETHYLBUTANE $$ 2-METHY
100
43
27
41
71
57
14
30
60
86
90
120
150
180
210
240
270
300
330
360
390
420
450
480
43
71
36
86
102
123 135
160 176
251
271281 297
319
349
374
440 456466
488
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:1 Entry:8398 Library:Wiley9.lib
SI:89 Formula:C6H12O CAS:109-53-5 MolWeight:100 RetIndex:0
CompName:Propane, 1-(ethenyloxy)-2-methyl- (CAS) $$ Isobutyl vinyl ether $$ IVE $$ Vinoflex MO 400 $$ Lutanol LR 8500 $$ Vinyl isobutyl ether $$ Ether, isobutyl vinyl $$ iso-Butyl vin
100
29
57
O
27
44
13
71
85
100
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:2 Entry:4175 Library:Wiley9.lib
SI:89 Formula:C6H14 CAS:96-14-0 MolWeight:86 RetIndex:0
CompName:Pentane, 3-methyl- (CAS) $$ 3-Methylpentane
100
57
41
27
43
71
86
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:3 Entry:8400 Library:Wiley9.lib
SI:88 Formula:C6H12O CAS:109-53-5 MolWeight:100 RetIndex:0
CompName:Propane, 1-(ethenyloxy)-2-methyl- (CAS) $$ Isobutyl vinyl ether $$ IVE $$ Vinoflex MO 400 $$ Lutanol LR 8500 $$ Vinyl isobutyl ether $$ Ether, isobutyl vinyl $$ iso-Butyl vin
100
29
57
27
44
100
12
75 85
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:4 Entry:4176 Library:Wiley9.lib
SI:88 Formula:C6H14 CAS:96-14-0 MolWeight:86 RetIndex:0
CompName:Pentane, 3-methyl- (CAS) $$ 3-Methylpentane $$ (C2H5)2CHCH3 $$ UN 1208 $$ UN 2462 $$ 3-Methyl pentane $$ AI3-28852 $$ DIETHYLMETHYLMETHANE $$ EINECS
100
57
41
27
43
71
86
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:5 Entry:4178 Library:Wiley9.lib
SI:88 Formula:C6H14 CAS:96-14-0 MolWeight:86 RetIndex:0
CompName:Pentane, 3-methyl- (CAS) $$ 3-Methylpentane $$ (C2H5)2CHCH3 $$ UN 1208 $$ UN 2462 $$ 3-Methyl pentane $$ AI3-28852 $$ DIETHYLMETHYLMETHANE $$ EINECS
100
57
41
27
43
71
14
20
40
60
86
80
100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
73
37
86
104
122
206216 229
247
270 282
303
325
405
429
446 459
476
494
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:1 Entry:4153 Library:Wiley9.lib
SI:87 Formula:C6H14 CAS:110-54-3 MolWeight:86 RetIndex:0
CompName:Hexane (CAS) $$ n-Hexane $$ Skellysolve B $$ n-C6H14 $$ Esani $$ Heksan $$ Hexanen $$ Hexyl hydride $$ Gettysolve-B $$ NCI-C60571 $$ UN 1208 $$ Exxsol hexane $$
100
57
41
27
71
14
86
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:2 Entry:3894 Library:Wiley9.lib
SI:87 Formula:C5H10O CAS:96-17-3 MolWeight:86 RetIndex:0
CompName:Butanal, 2-methyl- (CAS) $$ 2-Methylbutanal $$ ISOVALERALDEHYDE (2-METHYL) $$ 2-Methylbutyraldehyde $$ 2-Formylbutane $$ .alpha.-Methylbutanal $$ Methylethyla
100
57
41
O
29
86
71
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:3 Entry:4148 Library:Wiley9.lib
SI:87 Formula:C6H14 CAS:110-54-3 MolWeight:86 RetIndex:0
CompName:HEXANE $$ AI3-24253 $$ CCRIS 6247 $$ DIPROPYL $$ EINECS 203-777-6 $$ ESANI $$ ESANI [ITALIAN] $$ EXXSOL HEXANE $$ GETTYSOLVE-B $$ HEKSAN $
100
57
41
27
86
71
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:4 Entry:4155 Library:Wiley9.lib
SI:87 Formula:C6H14 CAS:110-54-3 MolWeight:86 RetIndex:0
CompName:Hexane (CAS) $$ n-Hexane $$ Skellysolve B $$ n-C6H14 $$ Esani $$ Heksan $$ Hexanen $$ Hexyl hydride $$ Gettysolve-B $$ NCI-C60571 $$ UN 1208 $$ Exxsol hexane $$
100
57
41
86
71
38
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:5 Entry:4149 Library:Wiley9.lib
SI:86 Formula:C6H14 CAS:110-54-3 MolWeight:86 RetIndex:0
CompName:HEXANE $$ AI3-24253 $$ CCRIS 6247 $$ DIPROPYL $$ EINECS 203-777-6 $$ ESANI $$ ESANI [ITALIAN] $$ EXXSOL HEXANE $$ GETTYSOLVE-B $$ HEKSAN $
100
57
43
41
27
86
71
24
20
40
60
80
100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
85
100 115
73
35
135
167
191
210
235 246
265
287
316
417 433
457
476 490
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:1 Entry:8565 Library:Wiley9.lib
SI:93 Formula:C7H16 CAS:591-76-4 MolWeight:100 RetIndex:0
CompName:Hexane, 2-methyl- (CAS) $$ 2-Methylhexane $$ Isoheptane $$ D 726 $$ EINECS 209-730-6 $$ NSC 24840
100
43
41
27
85
57
100
71
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:2 Entry:8564 Library:Wiley9.lib
SI:93 Formula:C7H16 CAS:591-76-4 MolWeight:100 RetIndex:0
CompName:Hexane, 2-methyl- (CAS) $$ 2-Methylhexane $$ Isoheptane $$ D 726 $$ EINECS 209-730-6 $$ NSC 24840
100
43
41
85
57
27
100
71
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:3 Entry:8567 Library:Wiley9.lib
SI:92 Formula:C7H16 CAS:591-76-4 MolWeight:100 RetIndex:0
CompName:Hexane, 2-methyl- (CAS) $$ 2-Methylhexane $$ Isoheptane $$ D 726 $$ EINECS 209-730-6 $$ NSC 24840
100
43
41
57
85
27
100
71
26
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:4 Entry:8566 Library:Wiley9.lib
SI:92 Formula:C7H16 CAS:591-76-4 MolWeight:100 RetIndex:0
CompName:Hexane, 2-methyl- (CAS) $$ 2-Methylhexane $$ Isoheptane $$ D 726 $$ EINECS 209-730-6 $$ NSC 24840
100
43
41
85
57
27
100
71
14
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:5 Entry:8570 Library:Wiley9.lib
SI:92 Formula:C7H16 CAS:591-76-4 MolWeight:100 RetIndex:0
CompName:Hexane, 2-methyl- (CAS) $$ 2-Methylhexane $$ Isoheptane $$ D 726 $$ EINECS 209-730-6 $$ NSC 24840
100
43
41
85
57
39
100
70
20
40
60
80
100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
77
84
36
100
120 130
148158 172
192
220
288298
321
345
384
402
429 442452
469 482
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:1 Entry:8587 Library:Wiley9.lib
SI:82 Formula:C7H16 CAS:565-59-3 MolWeight:100 RetIndex:0
CompName:Pentane, 2,3-dimethyl- (CAS) $$ 2,3-Dimethylpentane $$ 3,4-Dimethylpentane $$ 3, 4-DIMETHYLPENTANE $$ BRN 1718734 $$ EINECS 209-280-0 $$ NSC 23696 $$ PENT
100
43 56
41
27
71
85
100
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:2 Entry:8585 Library:Wiley9.lib
SI:81 Formula:C7H16 CAS:565-59-3 MolWeight:100 RetIndex:0
CompName:Pentane, 2,3-dimethyl- (CAS) $$ 2,3-Dimethylpentane $$ 3,4-Dimethylpentane $$ 3, 4-DIMETHYLPENTANE $$ BRN 1718734 $$ EINECS 209-280-0 $$ NSC 23696 $$ PENT
100
43 56
41
27
71
85
100
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:3 Entry:8586 Library:Wiley9.lib
SI:81 Formula:C7H16 CAS:565-59-3 MolWeight:100 RetIndex:0
CompName:PENTANE, 2,3-DIMETHYL- $$ 2,3-DIMETHYLPENTANE $$ 3, 4-DIMETHYLPENTANE $$ 3,4-DIMETHYLPENTANE $$ BRN 1718734 $$ EINECS 209-280-0 $$ NSC
100
43 56
41
71
27
85
23
100
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:4 Entry:8584 Library:Wiley9.lib
SI:81 Formula:C7H16 CAS:565-59-3 MolWeight:100 RetIndex:0
CompName:PENTANE, 2,3-DIMETHYL- $$ 2,3-DIMETHYLPENTANE $$ 3, 4-DIMETHYLPENTANE $$ 3,4-DIMETHYLPENTANE $$ BRN 1718734 $$ EINECS 209-280-0 $$ NSC
100
43 56
41
71
27
85
26
100
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:5 Entry:9461 Library:Wiley9.lib
SI:79 Formula:C6H14O CAS:111-27-3 MolWeight:102 RetIndex:0
CompName:1-HEXANOL $$ HEXAN-1-OL $$ 1-HEXANO $$ 1-HEXANOL, ALUMINUM SALT $$ 1-HEXYL ALCOHOL $$ 1-HYDROXYHEXANE $$ AI3-08157 $$ ALCOHOL(C6)
100
56
43
41
HO
27
70
20
40
60
84
80
100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
71
85
36
100
125 139
163 176
193 207
236
303313
333
355 368
385 400
431
448 464
482492
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:1 Entry:8572 Library:Wiley9.lib
SI:97 Formula:C7H16 CAS:589-34-4 MolWeight:100 RetIndex:0
CompName:Hexane, 3-methyl- (CAS) $$ 3-Methylhexane $$ 2-Ethylpentane $$ EINECS 209-643-3 $$ HEXANE, 3-METHYL $$ NSC 73937
100
43
41
57
71
27
85
14
100
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:2 Entry:8571 Library:Wiley9.lib
SI:96 Formula:C7H16 CAS:589-34-4 MolWeight:100 RetIndex:0
CompName:Hexane, 3-methyl- (CAS) $$ 3-Methylhexane $$ 2-Ethylpentane $$ EINECS 209-643-3 $$ HEXANE, 3-METHYL $$ NSC 73937
100
43
41
57
71
27
85
100
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:3 Entry:8574 Library:Wiley9.lib
SI:96 Formula:C7H16 CAS:589-34-4 MolWeight:100 RetIndex:0
CompName:Hexane, 3-methyl- (CAS) $$ 3-Methylhexane $$ 2-Ethylpentane $$ EINECS 209-643-3 $$ HEXANE, 3-METHYL $$ NSC 73937
100
43
41
57
71
85
38
100
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:4 Entry:8573 Library:Wiley9.lib
SI:95 Formula:C7H16 CAS:589-34-4 MolWeight:100 RetIndex:0
CompName:Hexane, 3-methyl- (CAS) $$ 3-Methylhexane $$ 2-Ethylpentane $$ EINECS 209-643-3 $$ HEXANE, 3-METHYL $$ NSC 73937
100
43
57
41
71
27
85
21
100
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:5 Entry:8547 Library:Wiley9.lib
SI:95 Formula:C7H16 CAS:142-82-5 MolWeight:100 RetIndex:0
CompName:Heptane (CAS) $$ n-Heptane $$ Skellysolve c $$ Heptyl hydride $$ Dipropylmethane $$ n-C7H16 $$ Eptani $$ Heptan $$ Heptanen $$ Gettysolve-C $$ UN 1206 $$ Aliphatic hy
100
43
27
41
57
85
14
20
71
40
60
80
100
100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
70
41
69
35
85
248 264
281
303
325
346356
447
469 484
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:1 Entry:8576 Library:Wiley9.lib
SI:96 Formula:C7H16 CAS:617-78-7 MolWeight:100 RetIndex:0
CompName:PENTANE, 3-ETHYL- $$ 3-ETHYLPENTANE $$ EINECS 210-529-0 $$ NSC 74151 $$ PENTANE, 3-ETHYL $$ PENTANE, 3-ETHYL- (8CI)(9CI)
100
43
71
29
57
24
84
100
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:2 Entry:8579 Library:Wiley9.lib
SI:96 Formula:C7H16 CAS:617-78-7 MolWeight:100 RetIndex:0
CompName:Pentane, 3-ethyl- (CAS) $$ 3-Ethylpentane $$ EINECS 210-529-0 $$ NSC 74151 $$ PENTANE, 3-ETHYL $$ PENTANE, 3-ETHYL- (8CI)(9CI)
100
43
71
41
39
57
100
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:3 Entry:8577 Library:Wiley9.lib
SI:95 Formula:C7H16 CAS:617-78-7 MolWeight:100 RetIndex:0
CompName:Pentane, 3-ethyl- (CAS) $$ 3-Ethylpentane $$ EINECS 210-529-0 $$ NSC 74151 $$ PENTANE, 3-ETHYL $$ PENTANE, 3-ETHYL- (8CI)(9CI)
100
43
70
27
57
85
100
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:4 Entry:8578 Library:Wiley9.lib
SI:95 Formula:C7H16 CAS:617-78-7 MolWeight:100 RetIndex:0
CompName:Pentane, 3-ethyl- (CAS) $$ 3-Ethylpentane $$ EINECS 210-529-0 $$ NSC 74151 $$ PENTANE, 3-ETHYL $$ PENTANE, 3-ETHYL- (8CI)(9CI)
100
43
71
27
41
57
15
84
100
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:5 Entry:1473 Library:Wiley9.lib
SI:93 Formula:C4H9N CAS:123-75-1 MolWeight:71 RetIndex:0
CompName:Pyrrolidine (CAS) $$ Prolamine $$ Azolidine $$ Butylenimine $$ Azacyclopentane $$ Pyrrolidine ring $$ Tetrahydropyrrole $$ Tetramethylenimine $$ Pyrrole, tetrahydro- $$ Per
100
43
NH
70
28
68
26
20
40
60
80
100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
41
35
43
83
99
119129
148 163
289 301
335
356
391 407
430 441
459
484
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:1 Entry:15802 Library:Wiley9.lib
SI:95 Formula:C8H18 CAS:540-84-1 MolWeight:114 RetIndex:0
CompName:PENTANE, 2,2,4-TRIMETHYL- $$ 2,2,4-TRIMETHYLPENTANE $$ (CH3)2CHCH2C(CH3)3 $$ 2,4,4-TRIMETHYLPENTANE $$ AI3-23976 $$ BRN 1696876 $$ EINECS
100
57
41
71
23
84
99
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:2 Entry:15823 Library:Wiley9.lib
SI:95 Formula:C8H18 CAS:594-82-1 MolWeight:114 RetIndex:0
CompName:Butane, 2,2,3,3-tetramethyl- (CAS) $$ 2,2,3,3-Tetramethylbutane $$ Hexamethylethane $$ Ethane, hexamethyl- $$ Tetramethylbutane $$ (CH3)3CC(CH3)3 $$ BUTANE, 2,2,3,3
100
57
41
14
27
43
83
99
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:3 Entry:15775 Library:Wiley9.lib
SI:95 Formula:C8H18 CAS:590-73-8 MolWeight:114 RetIndex:0
CompName:Hexane, 2,2-dimethyl- (CAS) $$ 2,2-Dimethylhexane $$ (CH3)3C(CH2)3CH3 $$ EINECS 209-689-4 $$ HEXANE, 2,2-DIMETHYL- (8CI)(9CI) $$ NSC 174065
100
57
41
27
43
70
84
99
114
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:4 Entry:15806 Library:Wiley9.lib
SI:94 Formula:C8H18 CAS:540-84-1 MolWeight:114 RetIndex:0
CompName:Pentane, 2,2,4-trimethyl- (CAS) $$ 2,2,4-Trimethylpentane $$ Isooctane $$ Isobutyltrimethylmethane $$ iso-Octane $$ 2,4,4-Trimethylpentane $$ (CH3)2CHCH2C(CH3)3 $$ Iso
100
57
41
15
27
71
84
99
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:5 Entry:15773 Library:Wiley9.lib
SI:94 Formula:C8H18 CAS:590-73-8 MolWeight:114 RetIndex:0
CompName:Hexane, 2,2-dimethyl- (CAS) $$ 2,2-Dimethylhexane $$ (CH3)3C(CH2)3CH3 $$ EINECS 209-689-4 $$ HEXANE, 2,2-DIMETHYL- (8CI)(9CI) $$ NSC 174065
100
57
41
27
71
14
20
40
60
85
80
99
100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
85
35
115
135
153
177
238 249
267 281
302
318
341 355
375
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
Hit#:1 Entry:26002 Library:Wiley9.lib
SI:82 Formula:C8H16O CAS:2984-50-1 MolWeight:128 RetIndex:0
CompName:Oxirane, hexyl- (CAS) $$ Octane, 1,2-epoxy- (CAS) $$ .alpha.-Epoxyoctane $$ n-Octene-1,2-oxide $$ Hexyloxirane $$ Octane 1,2-oxide $$ Octene-1,2-oxide $$ 1-Octene epoxid
100
41
71
55
27
O
85
99
112
128
20
50
80
110
140
170
200
230
260
Hit#:2 Entry:17132 Library:Wiley9.lib
SI:82 Formula:C7H14D2O CAS:80094-80-0 MolWeight:116 RetIndex:0
CompName:1-HEPTAN-1,1-D2-OL $$ 1-HEPTANOL
100
41
290
320
350
380
410
440
470
70
43
56
27
OH
D
85
100
20
50
80
110
140
170
200
230
260
290
320
350
Hit#:3 Entry:26074 Library:Wiley9.lib
SI:81 Formula:C8H16O CAS:23024-54-6 MolWeight:128 RetIndex:0
CompName:cis-2,3-Epoxyoctane $$ 2-Methyl-3-pentyloxirane $$ 2-METHYL-3-PENTYLOXIRANE #
100
41 56
380
410
440
470
27
82
O
99
113 128
20
50
80
110
140
170
200
230
260
290
320
350
Hit#:4 Entry:26075 Library:Wiley9.lib
SI:81 Formula:C8H16O CAS:28180-70-3 MolWeight:128 RetIndex:0
CompName:trans-2,3-Epoxyoctane $$ 2-Methyl-3-pentyloxirane $$ 2-METHYL-3-PENTYLOXIRANE #
100 27 45 56
380
410
440
470
82
99
113
128
20
50
80
110
140
170
200
230
260
290
320
350
Hit#:5 Entry:16508 Library:Wiley9.lib
SI:80 Formula:C6H8D4O2 CAS:53897-44-2 MolWeight:116 RetIndex:0
CompName:3,3,5,5-D4-CIS-1,2-CYCLOHEXANEDIOL $$ 1,2-Cyclohexane-3,3,5,5-d4-diol, cis- (CAS)
100
44
71
380
410
440
470
58
102
D
86
120
OH
41
39
20
OH
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
84
35
98
165
186
205
232
254 267
285295
484
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:1 Entry:7339 Library:Wiley9.lib
SI:97 Formula:C7H14 CAS:1192-18-3 MolWeight:98 RetIndex:0
CompName:Cyclopentane, 1,2-dimethyl-, cis- (CAS) $$ 1,cis-2-Dimethylcyclopentane $$ cis-1,2-Dimethylcyclopentane $$ 1,2-Dimethylcyclopentane $$ 1,2-DIMETHYLCYCLOPENTANE #
100
56 70
41
55
27
98
84
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:2 Entry:7345 Library:Wiley9.lib
SI:97 Formula:C7H14 CAS:1759-58-6 MolWeight:98 RetIndex:0
CompName:Cyclopentane, 1,3-dimethyl-, trans- (CAS) $$ trans-1,3-Dimethylcyclopentane $$ 1,trans-3-Dimethylcyclopentane $$ 1,3-Dimethylcyclopentane $$ 1,3-DIMETHYLCYCLOPENT
100
56 70
41
55
27
98
84
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:3 Entry:7340 Library:Wiley9.lib
SI:96 Formula:C7H14 CAS:1192-18-3 MolWeight:98 RetIndex:0
CompName:Cyclopentane, 1,2-dimethyl-, cis- (CAS) $$ 1,cis-2-Dimethylcyclopentane $$ cis-1,2-Dimethylcyclopentane $$ 1,2-Dimethylcyclopentane $$ 1,2-DIMETHYLCYCLOPENTANE #
100
56 70
41
55
27
98
15
84
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:4 Entry:7358 Library:Wiley9.lib
SI:96 Formula:C7H14 CAS:2453-00-1 MolWeight:98 RetIndex:0
CompName:Cyclopentane, 1,3-dimethyl- $$ 1,3-Dimethylcyclopentane $$ EINECS 219-521-1
100
56 70
41
55
27
98
26
84
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:5 Entry:7331 Library:Wiley9.lib
SI:96 Formula:C7H14 CAS:872-56-0 MolWeight:98 RetIndex:0
CompName:CYCLOBUTANE, ISOPROPYL100
56
41
55
70
27
98
84
25
20
40
60
80
100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
35
119 135
256
275
295
312
390
414424
445
0
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:1 Entry:7348 Library:Wiley9.lib
SI:97 Formula:C7H14 CAS:108-87-2 MolWeight:98 RetIndex:0
CompName:Cyclohexane, methyl- (CAS) $$ Methylcyclohexane $$ Sextone B $$ Hexahydrotoluene $$ Cyclohexylmethane $$ Toluene hexahydride $$ 1-Methylcyclohexane $$ Hexahydroxy
100
55
83
41
27
98
56
84
14
0
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:2 Entry:7347 Library:Wiley9.lib
SI:96 Formula:C7H14 CAS:108-87-2 MolWeight:98 RetIndex:0
CompName:Cyclohexane, methyl- (CAS) $$ Methylcyclohexane $$ Sextone B $$ Hexahydrotoluene $$ Cyclohexylmethane $$ Toluene hexahydride $$ 1-Methylcyclohexane $$ Hexahydroxy
100
83
55
41
98
56
27
84
0
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:3 Entry:7351 Library:Wiley9.lib
SI:96 Formula:C7H14 CAS:108-87-2 MolWeight:98 RetIndex:0
CompName:Cyclohexane, methyl- (CAS) $$ Methylcyclohexane $$ Sextone B $$ Hexahydrotoluene $$ Cyclohexylmethane $$ Toluene hexahydride $$ 1-Methylcyclohexane $$ Hexahydroxy
100
55
83
41
56
98
27
84
26
0
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:4 Entry:7352 Library:Wiley9.lib
SI:94 Formula:C7H14 CAS:108-87-2 MolWeight:98 RetIndex:0
CompName:Cyclohexane, methyl- (CAS) $$ Methylcyclohexane $$ Sextone B $$ Hexahydrotoluene $$ Cyclohexylmethane $$ Toluene hexahydride $$ 1-Methylcyclohexane $$ Hexahydroxy
100
83
55
41
98
56
27
84
0
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:5 Entry:7350 Library:Wiley9.lib
SI:94 Formula:C7H14 CAS:108-87-2 MolWeight:98 RetIndex:0
CompName:Cyclohexane, methyl- (CAS) $$ Methylcyclohexane $$ Sextone B $$ Hexahydrotoluene $$ Cyclohexylmethane $$ Toluene hexahydride $$ 1-Methylcyclohexane $$ Hexahydroxy
100
83
55
41
98
56
27
26
30
84
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
42
96
36
115
265
286
362
380
399
430
454
484
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:1 Entry:7335 Library:Wiley9.lib
SI:92 Formula:C7H14 CAS:1640-89-7 MolWeight:98 RetIndex:0
CompName:Cyclopentane, ethyl- (CAS) $$ Ethylcyclopentane $$ BRN 1900271 $$ EINECS 216-686-1 $$ NSC 74149
100
41
69
55
70
27
98
84
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:2 Entry:7334 Library:Wiley9.lib
SI:89 Formula:C7H14 CAS:1640-89-7 MolWeight:98 RetIndex:0
CompName:CYCLOPENTANE, ETHYL- $$ ETHYLCYCLOPENTANE $$ BRN 1900271 $$ EINECS 216-686-1 $$ NSC 74149
100
69
41
70
55
27
98
84
22
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:3 Entry:7333 Library:Wiley9.lib
SI:89 Formula:C7H14 CAS:1640-89-7 MolWeight:98 RetIndex:0
CompName:Cyclopentane, ethyl- (CAS) $$ Ethylcyclopentane $$ BRN 1900271 $$ EINECS 216-686-1 $$ NSC 74149
100
69
41
55
70
27
98
26
84
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:4 Entry:7336 Library:Wiley9.lib
SI:88 Formula:C7H14 CAS:1640-89-7 MolWeight:98 RetIndex:0
CompName:Cyclopentane, ethyl- (CAS) $$ Ethylcyclopentane $$ BRN 1900271 $$ EINECS 216-686-1 $$ NSC 74149
100
69
41
70
55
98
27
26
97
0
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:5 Entry:14005 Library:Wiley9.lib
SI:87 Formula:C8H16 CAS:2040-96-2 MolWeight:112 RetIndex:0
CompName:Cyclopentane, propyl- (CAS) $$ n-Propylcyclopentane $$ Propylcyclopentane $$ 1-Cyclopentylpropane $$ Cyclopentane, n-propyl- $$ BRN 1900338 $$ EINECS 218-042-5 $$ N
100
41
69
55
70
27
84
112
14
20
98
40
60
80
100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
39
51
65
77
35
101
170
190
316
343 359
383
402 416426
0
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:1 Entry:5477 Library:Wiley9.lib
SI:97 Formula:C7H8 CAS:108-88-3 MolWeight:92 RetIndex:0
CompName:Benzene, methyl- (CAS) $$ Toluene $$ CP 25 $$ Methylbenzene $$ Toluol $$ Methacide $$ Antisal 1a $$ Methylbenzol $$ Phenylmethane $$ METHYLBENZENE(TOLUENE)
100
91
15 27
39 51
65
74
0
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:2 Entry:5473 Library:Wiley9.lib
SI:97 Formula:C7H8 CAS:108-88-3 MolWeight:92 RetIndex:0
CompName:Benzene, methyl- (CAS) $$ Toluene $$ CP 25 $$ Methylbenzene $$ Toluol $$ Methacide $$ Antisal 1a $$ Methylbenzol $$ Phenylmethane $$ METHYLBENZENE(TOLUENE)
100
91
39
51
65
77
25
0
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:3 Entry:5475 Library:Wiley9.lib
SI:97 Formula:C7H8 CAS:108-88-3 MolWeight:92 RetIndex:0
CompName:Benzene, methyl- (CAS) $$ Toluene $$ CP 25 $$ Methylbenzene $$ Toluol $$ Methacide $$ Antisal 1a $$ Methylbenzol $$ Phenylmethane $$ METHYLBENZENE(TOLUENE)
100
91
39
1
51
27
65
74
0
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:4 Entry:5471 Library:Wiley9.lib
SI:96 Formula:C7H8 CAS:108-88-3 MolWeight:92 RetIndex:0
CompName:Benzene, methyl- (CAS) $$ Toluene $$ CP 25 $$ Methylbenzene $$ Toluol $$ Methacide $$ Antisal 1a $$ Methylbenzol $$ Phenylmethane $$ METHYLBENZENE(TOLUENE)
100
91
39
51
65
74
25
0
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:5 Entry:5468 Library:Wiley9.lib
SI:96 Formula:C7H8 CAS:108-88-3 MolWeight:92 RetIndex:0
CompName:BENZENE, METHYL- $$ METHYLBENZENE $$ TOLUENE $$ AI3-02261 $$ ANTISAL 1A $$ BENZENE, METHYL $$ BENZENE,-METHYL $$ CASWELL NO. 859 $$
100
91
39
2
27
30
51
65
77
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
57
70
99
37
114
131
147
176 189
211
233
257 268
290
371
387
415
431
459 472
493
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:8411 Library:Wiley9.lib
SI:88 Formula:C6H12O CAS:23850-78-4 MolWeight:100 RetIndex:0
CompName:Oxirane, (2-methylpropyl)- (CAS) $$ 1,2-Epoxy-4-methylpentane $$ Pentane, 1,2-epoxy-4-methyl- $$ 2-Isobutyloxirane $$ 2-Isobutyloxirane (computer-generated name) $$ 2-ISO
100
85
41
55
27
57
70
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:8449 Library:Wiley9.lib
SI:87 Formula:C6H12O CAS:10141-72-7 MolWeight:100 RetIndex:0
CompName:2H-Pyran, tetrahydro-2-methyl- (CAS) $$ 2-Methyltetrahydropyran $$ Tetrahydro-2-methylpyran $$ Tetrahydro-2-methyl-2H-pyran $$ 2-Methyltetrahydro-2H-pyran $$ 2-METH
100
85
41
43
56
27
100
26
70
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:8451 Library:Wiley9.lib
SI:87 Formula:C6H12O CAS:10141-72-7 MolWeight:100 RetIndex:0
CompName:2H-Pyran, tetrahydro-2-methyl- (CAS) $$ 2-Methyltetrahydropyran $$ Tetrahydro-2-methylpyran $$ Tetrahydro-2-methyl-2H-pyran $$ 2-Methyltetrahydro-2H-pyran $$ 2-METH
100
85
41
43
56
27
100
71
14
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:4 Entry:16895 Library:Wiley9.lib
SI:86 Formula:C6H12O2 CAS:100-72-1 MolWeight:116 RetIndex:0
CompName:2H-Pyran-2-methanol, tetrahydro- (CAS) $$ 2-METHANOL TETRAHYDROPYRAN $$ Tetrahydropyran-2-carbinol $$ Tetrahydropyran-2-methanol $$ Tetrahydropyranyl-2-me
100
85
41
27
43
57
OH
O
14
83
98
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:5 Entry:30666 Library:Wiley9.lib
SI:85 Formula:C6H14O3 CAS:106-69-4 MolWeight:134 RetIndex:0
CompName:1,2,6-Hexanetriol (CAS) $$ Hexane-1,2,6-triol $$ 1,2,6-Trihydroxyhexane $$ Hexanetriol-(1,2,6) $$ 1,2, 6-HEXANETRIOL $$ AI3-14311 $$ BRN 1304479 $$ EINECS 203-42
100
85
41
18
HO
70
103
15
10
OH
HO
57
30
50
70
90
114
110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
99
37
131
191 202212
228
251261
282
303313323
389
405
429
460
480
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:8411 Library:Wiley9.lib
SI:88 Formula:C6H12O CAS:23850-78-4 MolWeight:100 RetIndex:0
CompName:Oxirane, (2-methylpropyl)- (CAS) $$ 1,2-Epoxy-4-methylpentane $$ Pentane, 1,2-epoxy-4-methyl- $$ 2-Isobutyloxirane $$ 2-Isobutyloxirane (computer-generated name) $$ 2-ISO
100
85
41
55
27
57
70
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:16895 Library:Wiley9.lib
SI:88 Formula:C6H12O2 CAS:100-72-1 MolWeight:116 RetIndex:0
CompName:2H-Pyran-2-methanol, tetrahydro- (CAS) $$ 2-METHANOL TETRAHYDROPYRAN $$ Tetrahydropyran-2-carbinol $$ Tetrahydropyran-2-methanol $$ Tetrahydropyranyl-2-me
100
85
41
27
43
57
OH
O
14
83
98
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:8451 Library:Wiley9.lib
SI:87 Formula:C6H12O CAS:10141-72-7 MolWeight:100 RetIndex:0
CompName:2H-Pyran, tetrahydro-2-methyl- (CAS) $$ 2-Methyltetrahydropyran $$ Tetrahydro-2-methylpyran $$ Tetrahydro-2-methyl-2H-pyran $$ 2-Methyltetrahydro-2H-pyran $$ 2-METH
100
85
41
43
56
27
100
71
14
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:4 Entry:30666 Library:Wiley9.lib
SI:87 Formula:C6H14O3 CAS:106-69-4 MolWeight:134 RetIndex:0
CompName:1,2,6-Hexanetriol (CAS) $$ Hexane-1,2,6-triol $$ 1,2,6-Trihydroxyhexane $$ Hexanetriol-(1,2,6) $$ 1,2, 6-HEXANETRIOL $$ AI3-14311 $$ BRN 1304479 $$ EINECS 203-42
100
85
41
OH
HO
57
18
HO
70
103
15
114
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:5 Entry:8449 Library:Wiley9.lib
SI:87 Formula:C6H12O CAS:10141-72-7 MolWeight:100 RetIndex:0
CompName:2H-Pyran, tetrahydro-2-methyl- (CAS) $$ 2-Methyltetrahydropyran $$ Tetrahydro-2-methylpyran $$ Tetrahydro-2-methyl-2H-pyran $$ 2-Methyltetrahydro-2H-pyran $$ 2-METH
100
85
41
43
56
27
100
26
10
30
70
50
70
90
110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
35
114
178
202 214
232
251
277
296 309
331
341
353
373
399 411
429
478 493
461
10
40
70
100
130
160
190
220
250
280
310
340
370
400
430
460
490
Hit#:1 Entry:17295 Library:Wiley9.lib
SI:79 Formula:C7H16O CAS:3073-92-5 MolWeight:116 RetIndex:0
CompName:Butane, 1-propoxy- (CAS) $$ N-PROPYL N-BUTYL ETHER $$ Butyl propyl ether $$ Ether, butyl propyl $$ n-Propyl n-butyl ether $$ 1-Propoxybutane $$ 1-Propoxybutane (com
100
43
57
27
41
73
87
101 116
13
10
40
70
100
130
160
190
220
250
280
310
Hit#:2 Entry:43541 Library:Wiley9.lib
SI:79 Formula:C8H16O2 CAS:124472-61-3 MolWeight:144 RetIndex:0
CompName:1-n-butoxy-3-methyl-oxirane $$ Oxirane, 2-(butoxymethyl)-3-methyl-, trans- (CAS)
100
57
340
370
400
430
460
490
29 41
O
O
71
101 112
10
40
70
100
130
160
190
220
250
280
310
340
370
400
430
460
490
Hit#:3 Entry:16836 Library:Wiley9.lib
SI:78 Formula:C6H12O2 CAS:4016-14-2 MolWeight:116 RetIndex:0
CompName:Oxirane, [(1-methylethoxy)methyl]- (CAS) $$ Propane, 1,2-epoxy-3-isopropoxy- (CAS) $$ (Isopropoxymethyl)oxirane $$ Glycidyl isopropyl ether $$ Isopropyl glycidyl ether $$ 3
100
43
59
29
27
O
O
101
73
86
13
115
10
40
70
100
130
160
190
220
Hit#:4 Entry:43620 Library:Wiley9.lib
SI:78 Formula:C8H16O2 CAS:0-00-0 MolWeight:144 RetIndex:0
CompName:tert-Butyl isobutyrate $$ TERT-BUTYL ISOBUTYRATE
100
43 57
250
280
310
340
370
400
430
41
460
490
27
71
O
88
14
104
130
10
40
70
100
130
160
190
220
250
280
310
340
370
400
430
460
490
Hit#:5 Entry:28233 Library:Wiley9.lib
SI:78 Formula:C8H18O CAS:123-44-4 MolWeight:130 RetIndex:0
CompName:1-Pentanol, 2,2,4-trimethyl- (CAS) $$ 2,2,4-Trimethyl-1-pentanol $$ 2,2,4-Trimethylpentanol $$ 2,2,4-TRIMETHYLPENTAN-1-OL $$ 2, 2,4-TRIMETHYL-1-PENTANOL $$ A
100
57
43
HO
41
99
27
73
14
10
40
70
97
100
130
160
190
220
250
280
310
340
370
400
430
460
490
35
189
207
236
254
279
307
328 343
368
386
405
433
460
477
493
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:110908 Library:Wiley9.lib
SI:88 Formula:C13H28 CAS:629-50-5 MolWeight:184 RetIndex:0
CompName:Tridecane (CAS) $$ n-Tridecane $$ Tridecane, n- $$ n - tri - decanene $$ n - tri - decane $$ EINECS 211-093-4 $$ HSDB 5727 $$ NSC 66205 $$ TRIDECAN
100
43 57
71
41
85
27
184
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:139660 Library:Wiley9.lib
SI:88 Formula:C14H30 CAS:629-59-4 MolWeight:198 RetIndex:0
CompName:Tetradecane (CAS) $$ n-Tetradecane $$ Isotetradecane $$ n - tetra - decane $$ AI3-04240 $$ BRN 1733859 $$ CCRIS 715 $$ EINECS 211-096-0 $$ HSDB 5728 $$ NSC 7244
100
43 57
71
41
85
27
198
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:85281 Library:Wiley9.lib
SI:88 Formula:C12H26 CAS:112-40-3 MolWeight:170 RetIndex:0
CompName:DODECANE $$ ACETIC ACID 3-HYDROXY-7-ISOPROPENYL-1,4A-DIMETHYL-2,3,4,4A,5,6,7,8-OCTAHYDRO-NAP $$ ADAKANE 12 $$ BA 51-090453 $$ BIHEXYL
100
43 57
41
71
27
85
99 113 127 141
170
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:4 Entry:85288 Library:Wiley9.lib
SI:88 Formula:C12H26 CAS:112-40-3 MolWeight:170 RetIndex:0
CompName:Dodecane (CAS) $$ n-Dodecane $$ Ba 51-090453 $$ Adakane 12 $$ Isododecane $$ CH3(CH2)10CH3 $$ Bihexyl $$ Dihexyl $$ n-Dodecane min $$ N-Dodecan $$ Duodecane
100
43 57
41
71
85
98 112 127 141
37
170
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:5 Entry:85287 Library:Wiley9.lib
SI:87 Formula:C12H26 CAS:112-40-3 MolWeight:170 RetIndex:0
CompName:Dodecane (CAS) $$ n-Dodecane $$ Ba 51-090453 $$ Adakane 12 $$ Isododecane $$ CH3(CH2)10CH3 $$ Bihexyl $$ Dihexyl $$ n-Dodecane min $$ N-Dodecan $$ Duodecane
100
43 57
71
41
85
27
98 112 127 141
10
30
50
70
90
170
110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
85
99
331
147
119
179
195
208 218
237 247
267 281
299
315
346
356
377
405
422
445 459
475
494
30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:303208 Library:Wiley9.lib
SI:69 Formula:C19H40 CAS:1921-70-6 MolWeight:268 RetIndex:0
CompName:Pentadecane, 2,6,10,14-tetramethyl- (CAS) $$ Pristane $$ PRISTANE (FIELD ION) $$ 2,6,10,14-Tetramethylpentadecane $$ Pristan $$ Norphytan $$ Norphytane $$ Bute hydro
100
43 57
71
41
85
113
99
183
127 141 155
169
197
253
30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:303217 Library:Wiley9.lib
SI:69 Formula:C19H40 CAS:1921-70-6 MolWeight:268 RetIndex:0
CompName:Pentadecane, 2,6,10,14-tetramethyl- (CAS) $$ Pristane $$ PRISTANE (FIELD ION) $$ 2,6,10,14-Tetramethylpentadecane $$ Pristan $$ Norphytan $$ Norphytane $$ Bute hydro
100
43 57
71
41
85
113
99
183
127 141 155
169
197 211 225 238 253 268
30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:335427 Library:Wiley9.lib
SI:69 Formula:C20H42 CAS:112-95-8 MolWeight:282 RetIndex:0
CompName:Eicosane (CAS) $$ n-Eicosane $$ Icosane $$ n - eicosane $$ n - icosane $$ n - eicosanen - icosane $$ ICOSANE # $$ AI3-28404 $$ CCRIS 663 $$ EICOSAN $$ EINECS 204-0
100
43 57
71
85
41
99
30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:4 Entry:439786 Library:Wiley9.lib
SI:68 Formula:C18H37Br CAS:112-89-0 MolWeight:332 RetIndex:0
CompName:Octadecane, 1-bromo- (CAS) $$ Stearyl bromide $$ Octadecyl bromide $$ 1-Bromooctadecane $$ n-Octadecyl bromide $$ 1-BROMO OCTADECANE (DOMIPHEN BR ART.)
100
57
43
71
135
Br
85
41
99
113
149
253
30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:5 Entry:425347 Library:Wiley9.lib
SI:68 Formula:C23H48 CAS:638-67-5 MolWeight:324 RetIndex:0
CompName:Tricosane (CAS) $$ n-Tricosane $$ n - tricosane $$ AI3-35917 $$ EINECS 211-347-4 $$ NSC 78487
100
43 57
71
41
85
99
30
50
70
90
324
110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
41
85
99 112 127
36
224
247
269 281
297
318 331
347
377
400
417
435 448
469479 494
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:139660 Library:Wiley9.lib
SI:91 Formula:C14H30 CAS:629-59-4 MolWeight:198 RetIndex:0
CompName:Tetradecane (CAS) $$ n-Tetradecane $$ Isotetradecane $$ n - tetra - decane $$ AI3-04240 $$ BRN 1733859 $$ CCRIS 715 $$ EINECS 211-096-0 $$ HSDB 5728 $$ NSC 7244
100
43 57
71
41
85
27
198
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:110910 Library:Wiley9.lib
SI:91 Formula:C13H28 CAS:629-50-5 MolWeight:184 RetIndex:0
CompName:Tridecane (CAS) $$ n-Tridecane $$ Tridecane, n- $$ n - tri - decanene $$ n - tri - decane $$ EINECS 211-093-4 $$ HSDB 5727 $$ NSC 66205 $$ TRIDECAN
100
43 57
71
41
85
27
99 112 127 141 155
184
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:171133 Library:Wiley9.lib
SI:91 Formula:C15H32 CAS:629-62-9 MolWeight:212 RetIndex:0
CompName:Pentadecane (CAS) $$ n-Pentadecane $$ CH3(CH2)13CH3 $$ .n - penta - decane $$ n - penta - decane $$ BRN 1698194 $$ EINECS 211-098-1 $$ HSDB 5729 $$ NSC 172781
100
43 57
71
41
85
27
212
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:4 Entry:171174 Library:Wiley9.lib
SI:90 Formula:C15H32 CAS:629-62-9 MolWeight:212 RetIndex:0
CompName:pentadecane $$ BRN 1698194 $$ CH3(CH2)13CH3 $$ EINECS 211-098-1 $$ HSDB 5729 $$ N-PENTADECANE $$ NSC 172781
100
43 57
71
41
85
27
212
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:5 Entry:85283 Library:Wiley9.lib
SI:90 Formula:C12H26 CAS:112-40-3 MolWeight:170 RetIndex:0
CompName:Dodecane (CAS) $$ n-Dodecane $$ Ba 51-090453 $$ Adakane 12 $$ Isododecane $$ CH3(CH2)10CH3 $$ Bihexyl $$ Dihexyl $$ n-Dodecane min $$ N-Dodecan $$ Duodecane
100
43
57
41
71
27
85
99 113 127 141 155 170
10
30
50
70
90
110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
35
205 221
241
253
272
304
327
346 360
378
405
423
446
465
489
10
40
70
100
130
160
190
220
250
280
310
340
370
400
430
460
490
Hit#:1 Entry:335419 Library:Wiley9.lib
SI:92 Formula:C20H42 CAS:112-95-8 MolWeight:282 RetIndex:0
CompName:Eicosane (CAS) $$ n-Eicosane $$ Icosane $$ n - eicosane $$ n - icosane $$ n - eicosanen - icosane $$ ICOSANE # $$ AI3-28404 $$ CCRIS 663 $$ EICOSAN $$ EINECS 204-0
100
43 57
71
41
85
99 113
127 141 155 169 183 197 211 225
39
282
10
40
70
100
130
160
190
220
250
280
310
340
370
400
430
460
490
Hit#:2 Entry:204464 Library:Wiley9.lib
SI:92 Formula:C16H34 CAS:544-76-3 MolWeight:226 RetIndex:0
CompName:Hexadecane (CAS) $$ n-Hexadecane $$ Cetane $$ n-Cetane $$ Isohexadecane $$ HEXADECAN $$ n - hexadecane $$ .n - hexadecanecetane $$ n - hexa - decane $$ AI3-06522 $
100
43 57
71
41
85
27
99 113
127 141 155 169 183
226
10
40
70
100
130
160
190
220
250
280
310
340
370
400
430
460
490
Hit#:3 Entry:237610 Library:Wiley9.lib
SI:92 Formula:C17H36 CAS:629-78-7 MolWeight:240 RetIndex:0
CompName:Heptadecane (CAS) $$ n-Heptadecane $$ Normal-heptadecane $$ n - heptadecane $$ AI3-36898 $$ BRN 1738898 $$ EINECS 211-108-4 $$ HEPTADECAN $$ NSC 172782
100
43 57
71
41
85
99 113
127 141 155 169 183 197 211
39
240
10
40
70
100
130
160
190
220
250
280
310
340
370
400
430
460
490
Hit#:4 Entry:366724 Library:Wiley9.lib
SI:91 Formula:C21H44 CAS:629-94-7 MolWeight:296 RetIndex:0
CompName:Heneicosane (CAS) $$ n-Heneicosane $$ Henicosane $$ n - heneicosanene $$ n - hen - eicosane $$ hen - eicosane $$ HENICOSANE # $$ AI3-36479 $$ EINECS 211-118-9 $$ H
100
43 57
41
71
85
99 113 127
141 155 169 183 197 211 225 239 253
39
296
10
40
70
100
130
160
190
220
250
280
310
340
370
400
430
460
490
Hit#:5 Entry:396846 Library:Wiley9.lib
SI:91 Formula:C22H46 CAS:629-97-0 MolWeight:310 RetIndex:0
CompName:Docosane (CAS) $$ n-Docosane $$ C22H46 STANDARD $$ Normal-docosane $$ n - docosane $$ n - docosanene $$ n - docosanene - $$ n - docosane n - ALKANE $$ EINECS
100
43 57
41
71
85
99 113 127
141 155 169 183 197 211 225 239 253
39
10
40
70
100
130
160
190
220
250
310
280
310
340
370
400
430
460
490
50
65 76
93 105
121
35
177
132
158
305
325 337
430 441
461
479
497
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
Hit#:1 Entry:192087 Library:Wiley9.lib
SI:92 Formula:C12H14O4 CAS:84-66-2 MolWeight:222 RetIndex:0
CompName:1,2-Benzenedicarboxylic acid, diethyl ester (CAS) $$ Ethyl phthalate $$ Diethyl phthalate $$ Anozol $$ Phthalol $$ Solvanol $$ Neantine $$ Placidol E $$ Unimoll DA $$ Palatin
100
149
O
O
O
50
65 76
177
93 104
38
121
222
132
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
Hit#:2 Entry:192085 Library:Wiley9.lib
SI:91 Formula:C12H14O4 CAS:84-66-2 MolWeight:222 RetIndex:0
CompName:1,2-Benzenedicarboxylic acid, diethyl ester (CAS) $$ Ethyl phthalate $$ Diethyl phthalate $$ Anozol $$ Phthalol $$ Solvanol $$ Neantine $$ Placidol E $$ Unimoll DA $$ Palatin
100
149
O
O
O
177
50
38
65 76
93 105
121
132
164
194
222
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
Hit#:3 Entry:192094 Library:Wiley9.lib
SI:90 Formula:C12H14O4 CAS:84-66-2 MolWeight:222 RetIndex:0
CompName:1,2-Benzenedicarboxylic acid, diethyl ester (CAS) $$ Ethyl phthalate $$ Diethyl phthalate $$ Anozol $$ Phthalol $$ Solvanol $$ Neantine $$ Placidol E $$ Unimoll DA $$ Palatin
100
149
O
O
O
50
65 76
177
93 105
43
121
132
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
Hit#:4 Entry:192092 Library:Wiley9.lib
SI:90 Formula:C12H14O4 CAS:84-66-2 MolWeight:222 RetIndex:0
CompName:1,2-Benzenedicarboxylic acid, diethyl ester (CAS) $$ Ethyl phthalate $$ Diethyl phthalate $$ Anozol $$ Phthalol $$ Solvanol $$ Neantine $$ Placidol E $$ Unimoll DA $$ Palatin
100
149
O
O
O
177
50
65 76
41
93 104
121 132
222
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
Hit#:5 Entry:192084 Library:Wiley9.lib
SI:89 Formula:C12H14O4 CAS:84-66-2 MolWeight:222 RetIndex:0
CompName:1,2-Benzenedicarboxylic acid, diethyl ester (CAS) $$ Ethyl phthalate $$ Diethyl phthalate $$ Anozol $$ Phthalol $$ Solvanol $$ Neantine $$ Placidol E $$ Unimoll DA $$ Palatin
100
149
O
O
O
177
27
20
50
50
65 76
80
93 105
121
110
132
140
222
163
170
200
230
260
290
320
350
380
410
440
470
71
85
99
119
195 207
234
253 267
371
387
404
429 444
464
489
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:1 Entry:366724 Library:Wiley9.lib
SI:89 Formula:C21H44 CAS:629-94-7 MolWeight:296 RetIndex:0
CompName:Heneicosane (CAS) $$ n-Heneicosane $$ Henicosane $$ n - heneicosanene $$ n - hen - eicosane $$ hen - eicosane $$ HENICOSANE # $$ AI3-36479 $$ EINECS 211-118-9 $$ H
100
43 57
71
41
85
99
296
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:2 Entry:396846 Library:Wiley9.lib
SI:89 Formula:C22H46 CAS:629-97-0 MolWeight:310 RetIndex:0
CompName:Docosane (CAS) $$ n-Docosane $$ C22H46 STANDARD $$ Normal-docosane $$ n - docosane $$ n - docosanene $$ n - docosanene - $$ n - docosane n - ALKANE $$ EINECS
100
43 57
71
41
85
99
310
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:3 Entry:171127 Library:Wiley9.lib
SI:89 Formula:C15H32 CAS:629-62-9 MolWeight:212 RetIndex:0
CompName:Pentadecane (CAS) $$ n-Pentadecane $$ CH3(CH2)13CH3 $$ .n - penta - decane $$ n - penta - decane $$ BRN 1698194 $$ EINECS 211-098-1 $$ HSDB 5729 $$ NSC 172781
100
43 57
41
71
85
99
212
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:4 Entry:335419 Library:Wiley9.lib
SI:89 Formula:C20H42 CAS:112-95-8 MolWeight:282 RetIndex:0
CompName:Eicosane (CAS) $$ n-Eicosane $$ Icosane $$ n - eicosane $$ n - icosane $$ n - eicosanen - icosane $$ ICOSANE # $$ AI3-28404 $$ CCRIS 663 $$ EICOSAN $$ EINECS 204-0
100
43 57
71
41
85
99
282
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:5 Entry:204468 Library:Wiley9.lib
SI:89 Formula:C16H34 CAS:544-76-3 MolWeight:226 RetIndex:0
CompName:Hexadecane (CAS) $$ n-Hexadecane $$ Cetane $$ n-Cetane $$ Isohexadecane $$ HEXADECAN $$ n - hexadecane $$ .n - hexadecanecetane $$ n - hexa - decane $$ AI3-06522 $
100
43 57
41
71
85
99
30
60
90
120
150
180
226
210
240
270
300
330
360
390
420
450
480
43
41
85
35
99
113
127 141 155 169 183 197 212
234
255 267
283
307
327
339
358
377 389
414
432
458
479 490
10
40
70
100
130
160
190
220
250
280
310
340
370
400
430
460
Hit#:1 Entry:303207 Library:Wiley9.lib
SI:85 Formula:C19H40 CAS:1921-70-6 MolWeight:268 RetIndex:0
CompName:PENTADECANE, 2,6,10,14-TETRAMETHYL- $$ 2,6,10,14-TETRAMETHYLPENTADECANE $$ 2,6,10, 14-TETRAMETHYLPENTADECANE $$ 2,6,10,10-TETRAMETH
100
57
43
71
41
85
99
27
113
183
127 141 155
169
253 268
10
40
70
100
130
160
190
220
250
280
310
340
370
Hit#:2 Entry:139690 Library:Wiley9.lib
SI:84 Formula:C14H30 CAS:61141-72-8 MolWeight:198 RetIndex:0
CompName:DODECANE, 4,6-DIMETHYL- $$ 4,6-DIMETHYLDODECANE $$ 4,6-DIMETHYLDODECANE #
100
57
43
400
430
460
71
41
85
27
183 198
10
40
70
100
130
160
190
220
250
280
310
340
370
400
430
460
Hit#:3 Entry:303208 Library:Wiley9.lib
SI:84 Formula:C19H40 CAS:1921-70-6 MolWeight:268 RetIndex:0
CompName:Pentadecane, 2,6,10,14-tetramethyl- (CAS) $$ Pristane $$ PRISTANE (FIELD ION) $$ 2,6,10,14-Tetramethylpentadecane $$ Pristan $$ Norphytan $$ Norphytane $$ Bute hydro
100
43 57
71
41
85
113
99
39
183
127 141 155
169
197
253
10
40
70
100
130
160
190
220
250
280
Hit#:4 Entry:171167 Library:Wiley9.lib
SI:84 Formula:C15H32 CAS:31295-56-4 MolWeight:212 RetIndex:0
CompName:DODECANE, 2,6,11-TRIMETHYL- $$ 2,6,11-TRIMETHYLDODECANE
100
57
430
460
10
40
70
100
130
160
190
220
250
280
310
340
370
400
430
Hit#:5 Entry:171171 Library:Wiley9.lib
SI:84 Formula:C15H32 CAS:74645-98-0 MolWeight:212 RetIndex:0
CompName:DODECANE, 2,7,10-TRIMETHYL- $$ 2,7,10-TRIMETHYLDODECANE $$ 2,7,10-TRIMETHYLDODECANE #
100
57
460
43
310
340
370
400
71
41
85
27
197
71
43
41
85
99 113 127 141
155 169 183 197
27
10
40
70
100
130
160
190
220
250
280
310
340
370
400
430
460
113
135 149
177
195
219
239
253
269
415
431 445
461
480
498
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:1 Entry:237610 Library:Wiley9.lib
SI:92 Formula:C17H36 CAS:629-78-7 MolWeight:240 RetIndex:0
CompName:Heptadecane (CAS) $$ n-Heptadecane $$ Normal-heptadecane $$ n - heptadecane $$ AI3-36898 $$ BRN 1738898 $$ EINECS 211-108-4 $$ HEPTADECAN $$ NSC 172782
100
43 57
71
41
85
99
240
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:2 Entry:270364 Library:Wiley9.lib
SI:92 Formula:C18H38 CAS:593-45-3 MolWeight:254 RetIndex:0
CompName:Octadecane (CAS) $$ n-Octadecane $$ Octadecan $$ n - octadecane $$ AI3-06523 $$ CCRIS 681 $$ EINECS 209-790-3 $$ NSC 4201
100
43 57
71
41
85
99
254
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:3 Entry:396846 Library:Wiley9.lib
SI:92 Formula:C22H46 CAS:629-97-0 MolWeight:310 RetIndex:0
CompName:Docosane (CAS) $$ n-Docosane $$ C22H46 STANDARD $$ Normal-docosane $$ n - docosane $$ n - docosanene $$ n - docosanene - $$ n - docosane n - ALKANE $$ EINECS
100
43 57
71
41
85
99
310
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:4 Entry:335419 Library:Wiley9.lib
SI:92 Formula:C20H42 CAS:112-95-8 MolWeight:282 RetIndex:0
CompName:Eicosane (CAS) $$ n-Eicosane $$ Icosane $$ n - eicosane $$ n - icosane $$ n - eicosanen - icosane $$ ICOSANE # $$ AI3-28404 $$ CCRIS 663 $$ EICOSAN $$ EINECS 204-0
100
43 57
71
41
85
99
282
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
Hit#:5 Entry:366724 Library:Wiley9.lib
SI:92 Formula:C21H44 CAS:629-94-7 MolWeight:296 RetIndex:0
CompName:Heneicosane (CAS) $$ n-Heneicosane $$ Henicosane $$ n - heneicosanene $$ n - hen - eicosane $$ hen - eicosane $$ HENICOSANE # $$ AI3-36479 $$ EINECS 211-118-9 $$ H
100
43 57
71
41
85
99
30
60
90
120
150
180
210
240
296
270
300
330
360
390
420
450
480
41
99 113 127
35
150
177 193
223
252
272
389 402
427
10
40
70
100
130
160
190
220
250
280
310
340
370
400
430
460
490
Hit#:1 Entry:335436 Library:Wiley9.lib
SI:84 Formula:C20H42 CAS:638-36-8 MolWeight:282 RetIndex:0
CompName:HEXADECANE, 2,6,10,14-TETRAMETHYL- $$ 2,6,10,14-TETRAMETHYLHEXADECANE $$ EINECS 211-332-2 $$ HEXADECAN, 2,6,10,14-TETRAMETHYL- (PHYT
100
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99 113 127
27
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280
310
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370
400
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Hit#:2 Entry:335441 Library:Wiley9.lib
SI:83 Formula:C20H42 CAS:638-36-8 MolWeight:282 RetIndex:0
CompName:Hexadecane, 2,6,10,14-tetramethyl- (CAS) $$ Phytane $$ 2,6,10,14-Tetramethylhexadecane $$ Phytan $$ HEXADECAN, 2,6,10,14-TETRAMETHYL- (PHYTAN) $$ 2,6,10,14
100
57
43
71
85
41
99 113 127
39
253
282
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100
130
160
190
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250
280
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Hit#:3 Entry:270360 Library:Wiley9.lib
SI:83 Formula:C18H38 CAS:593-45-3 MolWeight:254 RetIndex:0
CompName:OCTADECANE $$ AI3-06523 $$ CCRIS 681 $$ EINECS 209-790-3 $$ N-OCTADECANE $$ NSC 4201 $$ OCTADECAN
100
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490
43
71
85
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99
27
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190
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310
340
370
400
430
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Hit#:4 Entry:303207 Library:Wiley9.lib
SI:83 Formula:C19H40 CAS:1921-70-6 MolWeight:268 RetIndex:0
CompName:PENTADECANE, 2,6,10,14-TETRAMETHYL- $$ 2,6,10,14-TETRAMETHYLPENTADECANE $$ 2,6,10, 14-TETRAMETHYLPENTADECANE $$ 2,6,10,10-TETRAMETH
100
57
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71
41
85
99
27
113
183
127 141 155
169
253 268
10
40
70
100
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340
370
400
430
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Hit#:5 Entry:303211 Library:Wiley9.lib
SI:83 Formula:C19H40 CAS:1921-70-6 MolWeight:268 RetIndex:0
CompName:Pentadecane, 2,6,10,14-tetramethyl- (CAS) $$ Pristane $$ PRISTANE (FIELD ION) $$ 2,6,10,14-Tetramethylpentadecane $$ Pristan $$ Norphytan $$ Norphytane $$ Bute hydro
100
57
71
43
85
41
113
99
10
40
70
100
183
127 141 155
169
197 211
130
160
190
220
239 253
250
280
310
340
370
400
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177
197
220
261
238
290
311 323
341 355
377 393
415
10
40
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130
160
190
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250
280
310
340
370
400
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Hit#:1 Entry:335419 Library:Wiley9.lib
SI:95 Formula:C20H42 CAS:112-95-8 MolWeight:282 RetIndex:0
CompName:Eicosane (CAS) $$ n-Eicosane $$ Icosane $$ n - eicosane $$ n - icosane $$ n - eicosanen - icosane $$ ICOSANE # $$ AI3-28404 $$ CCRIS 663 $$ EICOSAN $$ EINECS 204-0
100
43 57
71
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85
99 113
127 141 155 169 183 197 211 225
39
282
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70
100
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250
280
310
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370
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Hit#:2 Entry:237610 Library:Wiley9.lib
SI:95 Formula:C17H36 CAS:629-78-7 MolWeight:240 RetIndex:0
CompName:Heptadecane (CAS) $$ n-Heptadecane $$ Normal-heptadecane $$ n - heptadecane $$ AI3-36898 $$ BRN 1738898 $$ EINECS 211-108-4 $$ HEPTADECAN $$ NSC 172782
100
43 57
71
41
85
99 113
127 141 155 169 183 197 211
39
240
10
40
70
100
130
160
190
220
250
280
310
340
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Hit#:3 Entry:425347 Library:Wiley9.lib
SI:95 Formula:C23H48 CAS:638-67-5 MolWeight:324 RetIndex:0
CompName:Tricosane (CAS) $$ n-Tricosane $$ n - tricosane $$ AI3-35917 $$ EINECS 211-347-4 $$ NSC 78487
100
43 57
400
430
460
490
71
41
85
99 113
127 141 155 169 183 197 211 225 239 253 267
39
324
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160
190
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Hit#:4 Entry:396846 Library:Wiley9.lib
SI:95 Formula:C22H46 CAS:629-97-0 MolWeight:310 RetIndex:0
CompName:Docosane (CAS) $$ n-Docosane $$ C22H46 STANDARD $$ Normal-docosane $$ n - docosane $$ n - docosanene $$ n - docosanene - $$ n - docosane n - ALKANE $$ EINECS
100
43 57
41
71
85
99 113 127
141 155 169 183 197 211 225 239 253
39
310
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70
100
130
160
190
220
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280
310
340
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400
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Hit#:5 Entry:204464 Library:Wiley9.lib
SI:95 Formula:C16H34 CAS:544-76-3 MolWeight:226 RetIndex:0
CompName:Hexadecane (CAS) $$ n-Hexadecane $$ Cetane $$ n-Cetane $$ Isohexadecane $$ HEXADECAN $$ n - hexadecane $$ .n - hexadecanecetane $$ n - hexa - decane $$ AI3-06522 $
100
43 57
71
41
85
27
10
99 113
127 141 155 169 183
40
70
100
130
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226
220
250
280
310
340
370
400
430
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85
99 113
127 141 155 169
35
191
207
232
249
271 285
308
324
343 357
426
447 461
480 493
10
40
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100
130
160
190
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370
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Hit#:1 Entry:237610 Library:Wiley9.lib
SI:96 Formula:C17H36 CAS:629-78-7 MolWeight:240 RetIndex:0
CompName:Heptadecane (CAS) $$ n-Heptadecane $$ Normal-heptadecane $$ n - heptadecane $$ AI3-36898 $$ BRN 1738898 $$ EINECS 211-108-4 $$ HEPTADECAN $$ NSC 172782
100
43 57
71
41
85
99 113
127 141 155 169 183 197 211
39
240
10
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70
100
130
160
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370
400
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Hit#:2 Entry:270364 Library:Wiley9.lib
SI:95 Formula:C18H38 CAS:593-45-3 MolWeight:254 RetIndex:0
CompName:Octadecane (CAS) $$ n-Octadecane $$ Octadecan $$ n - octadecane $$ AI3-06523 $$ CCRIS 681 $$ EINECS 209-790-3 $$ NSC 4201
100
43 57
71
41
85
99 113
127 141 155 169 183 197 211
39
254
10
40
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100
130
160
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220
250
280
310
340
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Hit#:3 Entry:335419 Library:Wiley9.lib
SI:95 Formula:C20H42 CAS:112-95-8 MolWeight:282 RetIndex:0
CompName:Eicosane (CAS) $$ n-Eicosane $$ Icosane $$ n - eicosane $$ n - icosane $$ n - eicosanen - icosane $$ ICOSANE # $$ AI3-28404 $$ CCRIS 663 $$ EICOSAN $$ EINECS 204-0
100
43 57
71
41
85
99 113
127 141 155 169 183 197 211 225
39
282
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100
130
160
190
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370
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Hit#:4 Entry:204464 Library:Wiley9.lib
SI:95 Formula:C16H34 CAS:544-76-3 MolWeight:226 RetIndex:0
CompName:Hexadecane (CAS) $$ n-Hexadecane $$ Cetane $$ n-Cetane $$ Isohexadecane $$ HEXADECAN $$ n - hexadecane $$ .n - hexadecanecetane $$ n - hexa - decane $$ AI3-06522 $
100
43 57
71
41
85
27
99 113
127 141 155 169 183
226
10
40
70
100
130
160
190
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250
280
310
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370
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Hit#:5 Entry:237607 Library:Wiley9.lib
SI:95 Formula:C17H36 CAS:629-78-7 MolWeight:240 RetIndex:0
CompName:HEPTADECANE $$ AI3-36898 $$ BRN 1738898 $$ EINECS 211-108-4 $$ HEPTADECAN $$ N-HEPTADECANE $$ NORMAL-HEPTADECANE $$ NSC 172782
100
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43
71
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85
99 113
127 141 155 169 183 197
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240
220
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280
310
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370
400
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99
207
265
234
282 296
320
342 355
373 383
399
461
478
30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:335419 Library:Wiley9.lib
SI:96 Formula:C20H42 CAS:112-95-8 MolWeight:282 RetIndex:0
CompName:Eicosane (CAS) $$ n-Eicosane $$ Icosane $$ n - eicosane $$ n - icosane $$ n - eicosanen - icosane $$ ICOSANE # $$ AI3-28404 $$ CCRIS 663 $$ EICOSAN $$ EINECS 204-0
100
43 57
71
41
85
99
282
30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:270364 Library:Wiley9.lib
SI:95 Formula:C18H38 CAS:593-45-3 MolWeight:254 RetIndex:0
CompName:Octadecane (CAS) $$ n-Octadecane $$ Octadecan $$ n - octadecane $$ AI3-06523 $$ CCRIS 681 $$ EINECS 209-790-3 $$ NSC 4201
100
43 57
71
41
85
99
254
30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:425347 Library:Wiley9.lib
SI:95 Formula:C23H48 CAS:638-67-5 MolWeight:324 RetIndex:0
CompName:Tricosane (CAS) $$ n-Tricosane $$ n - tricosane $$ AI3-35917 $$ EINECS 211-347-4 $$ NSC 78487
100
43 57
71
41
85
99
324
30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:4 Entry:237610 Library:Wiley9.lib
SI:95 Formula:C17H36 CAS:629-78-7 MolWeight:240 RetIndex:0
CompName:Heptadecane (CAS) $$ n-Heptadecane $$ Normal-heptadecane $$ n - heptadecane $$ AI3-36898 $$ BRN 1738898 $$ EINECS 211-108-4 $$ HEPTADECAN $$ NSC 172782
100
43 57
71
41
85
99
240
30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:5 Entry:475987 Library:Wiley9.lib
SI:95 Formula:C25H52 CAS:629-99-2 MolWeight:352 RetIndex:0
CompName:Pentacosane (CAS) $$ n-Pentacosane $$ n - pentacosane $$ n - pentacosanene $$ AI3-36478 $$ EINECS 211-123-6 $$ NSC 158663
100
43 57
71
41
85
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30
50
70
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85
99
227
251
268 281
301
328
357 368
30
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210
240
270
300
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360
Hit#:1 Entry:425347 Library:Wiley9.lib
SI:96 Formula:C23H48 CAS:638-67-5 MolWeight:324 RetIndex:0
CompName:Tricosane (CAS) $$ n-Tricosane $$ n - tricosane $$ AI3-35917 $$ EINECS 211-347-4 $$ NSC 78487
100
43 57
390
420
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493
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71
41
85
99
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30
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390
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Hit#:2 Entry:270364 Library:Wiley9.lib
SI:95 Formula:C18H38 CAS:593-45-3 MolWeight:254 RetIndex:0
CompName:Octadecane (CAS) $$ n-Octadecane $$ Octadecan $$ n - octadecane $$ AI3-06523 $$ CCRIS 681 $$ EINECS 209-790-3 $$ NSC 4201
100
43 57
71
41
85
99
254
30
60
90
120
150
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210
240
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390
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Hit#:3 Entry:335419 Library:Wiley9.lib
SI:95 Formula:C20H42 CAS:112-95-8 MolWeight:282 RetIndex:0
CompName:Eicosane (CAS) $$ n-Eicosane $$ Icosane $$ n - eicosane $$ n - icosane $$ n - eicosanen - icosane $$ ICOSANE # $$ AI3-28404 $$ CCRIS 663 $$ EICOSAN $$ EINECS 204-0
100
43 57
71
41
85
99
282
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Hit#:4 Entry:237610 Library:Wiley9.lib
SI:95 Formula:C17H36 CAS:629-78-7 MolWeight:240 RetIndex:0
CompName:Heptadecane (CAS) $$ n-Heptadecane $$ Normal-heptadecane $$ n - heptadecane $$ AI3-36898 $$ BRN 1738898 $$ EINECS 211-108-4 $$ HEPTADECAN $$ NSC 172782
100
43 57
71
41
85
99
240
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390
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Hit#:5 Entry:396846 Library:Wiley9.lib
SI:95 Formula:C22H46 CAS:629-97-0 MolWeight:310 RetIndex:0
CompName:Docosane (CAS) $$ n-Docosane $$ C22H46 STANDARD $$ Normal-docosane $$ n - docosane $$ n - docosanene $$ n - docosanene - $$ n - docosane n - ALKANE $$ EINECS
100
43 57
71
41
85
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30
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310
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360
390
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99 113
127 141 155 169 183
35
207
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255 267
283
301311
377387
405
431 446
475
500
20
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140
170
200
230
260
290
320
350
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Hit#:1 Entry:237607 Library:Wiley9.lib
SI:97 Formula:C17H36 CAS:629-78-7 MolWeight:240 RetIndex:0
CompName:HEPTADECANE $$ AI3-36898 $$ BRN 1738898 $$ EINECS 211-108-4 $$ HEPTADECAN $$ N-HEPTADECANE $$ NORMAL-HEPTADECANE $$ NSC 172782
100
57
43
71
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85
99 113
127 141 155 169 183 197
27
240
20
50
80
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140
170
200
230
260
290
320
350
380
410
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Hit#:2 Entry:270364 Library:Wiley9.lib
SI:96 Formula:C18H38 CAS:593-45-3 MolWeight:254 RetIndex:0
CompName:Octadecane (CAS) $$ n-Octadecane $$ Octadecan $$ n - octadecane $$ AI3-06523 $$ CCRIS 681 $$ EINECS 209-790-3 $$ NSC 4201
100
43 57
71
41
85
99 113
127 141 155 169 183 197 211
39
254
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
Hit#:3 Entry:204473 Library:Wiley9.lib
SI:96 Formula:C16H34 CAS:544-76-3 MolWeight:226 RetIndex:0
CompName:Hexadecane (CAS) $$ n-Hexadecane $$ Cetane $$ n-Cetane $$ Isohexadecane $$ HEXADECAN $$ n - hexadecane $$ .n - hexadecanecetane $$ n - hexa - decane $$ AI3-06522 $
100
43 57
71
85
41
99
27
226
20
50
80
110
140
170
200
230
260
290
320
350
380
Hit#:4 Entry:425347 Library:Wiley9.lib
SI:96 Formula:C23H48 CAS:638-67-5 MolWeight:324 RetIndex:0
CompName:Tricosane (CAS) $$ n-Tricosane $$ n - tricosane $$ AI3-35917 $$ EINECS 211-347-4 $$ NSC 78487
100
43 57
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71
41
85
99 113
127 141 155 169 183 197 211 225 239 253 267
39
324
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140
170
200
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260
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Hit#:5 Entry:237610 Library:Wiley9.lib
SI:96 Formula:C17H36 CAS:629-78-7 MolWeight:240 RetIndex:0
CompName:Heptadecane (CAS) $$ n-Heptadecane $$ Normal-heptadecane $$ n - heptadecane $$ AI3-36898 $$ BRN 1738898 $$ EINECS 211-108-4 $$ HEPTADECAN $$ NSC 172782
100
43 57
71
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85
99 113
127 141 155 169 183 197 211
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200
240
230
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41
99
36
193
210 224
249
265
282 294
312
376
403
429
490
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:1 Entry:425347 Library:Wiley9.lib
SI:96 Formula:C23H48 CAS:638-67-5 MolWeight:324 RetIndex:0
CompName:Tricosane (CAS) $$ n-Tricosane $$ n - tricosane $$ AI3-35917 $$ EINECS 211-347-4 $$ NSC 78487
100
43 57
71
41
85
99
39
324
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:2 Entry:237607 Library:Wiley9.lib
SI:96 Formula:C17H36 CAS:629-78-7 MolWeight:240 RetIndex:0
CompName:HEPTADECANE $$ AI3-36898 $$ BRN 1738898 $$ EINECS 211-108-4 $$ HEPTADECAN $$ N-HEPTADECANE $$ NORMAL-HEPTADECANE $$ NSC 172782
100
57
43
71
41
85
99
27
240
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:3 Entry:497898 Library:Wiley9.lib
SI:96 Formula:C26H54 CAS:55333-99-8 MolWeight:366 RetIndex:0
CompName:Eicosane, 7-hexyl- (CAS) $$ 7-n-Hexyleicosane $$ 7-Hexylicosane $$ 7-Hexylicosane (computer-generated name) $$ 7-HEXYLICOSANE # $$ NSC 157988
100
43 57
71
85
41
99
39
113 127
141 155 169 182 197 211
281
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:4 Entry:270364 Library:Wiley9.lib
SI:96 Formula:C18H38 CAS:593-45-3 MolWeight:254 RetIndex:0
CompName:Octadecane (CAS) $$ n-Octadecane $$ Octadecan $$ n - octadecane $$ AI3-06523 $$ CCRIS 681 $$ EINECS 209-790-3 $$ NSC 4201
100
43 57
71
41
85
99
39
254
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:5 Entry:335419 Library:Wiley9.lib
SI:96 Formula:C20H42 CAS:112-95-8 MolWeight:282 RetIndex:0
CompName:Eicosane (CAS) $$ n-Eicosane $$ Icosane $$ n - eicosane $$ n - icosane $$ n - eicosanen - icosane $$ ICOSANE # $$ AI3-28404 $$ CCRIS 663 $$ EICOSAN $$ EINECS 204-0
100
43 57
71
41
85
99
39
20
40
60
80
282
100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
41
99
35
193 207
300
389 400
20
50
80
110
140
170
200
230
260
290
320
350
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Hit#:1 Entry:425347 Library:Wiley9.lib
SI:96 Formula:C23H48 CAS:638-67-5 MolWeight:324 RetIndex:0
CompName:Tricosane (CAS) $$ n-Tricosane $$ n - tricosane $$ AI3-35917 $$ EINECS 211-347-4 $$ NSC 78487
100
43 57
410
433
440
461 475
493
470
71
41
85
99 113
127 141 155 169 183 197 211 225 239 253 267
39
324
20
50
80
110
140
170
200
230
260
290
320
350
380
410
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Hit#:2 Entry:237607 Library:Wiley9.lib
SI:96 Formula:C17H36 CAS:629-78-7 MolWeight:240 RetIndex:0
CompName:HEPTADECANE $$ AI3-36898 $$ BRN 1738898 $$ EINECS 211-108-4 $$ HEPTADECAN $$ N-HEPTADECANE $$ NORMAL-HEPTADECANE $$ NSC 172782
100
57
43
71
41
85
99 113
127 141 155 169 183 197
27
240
20
50
80
110
140
170
200
230
260
290
320
350
380
410
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Hit#:3 Entry:535917 Library:Wiley9.lib
SI:96 Formula:C28H58 CAS:630-02-4 MolWeight:394 RetIndex:0
CompName:Octacosane (CAS) $$ n-Octacosane $$ n - octacosane $$ n - octacosanene $$ AI3-52615 $$ CCRIS 680 $$ EINECS 211-125-7 $$ NSC 5549
100
43 57
71
85
41
99 113
127 141 155 169 183 197 211 225 239 253
39
20
50
80
110
140
170
200
230
260
290
320
350
Hit#:4 Entry:518005 Library:Wiley9.lib
SI:96 Formula:C27H56 CAS:593-49-7 MolWeight:380 RetIndex:0
CompName:Heptacosane (CAS) $$ n-Heptacosane $$ n - heptacosane $$ AI3-36283 $$ EINECS 209-792-4
100
43 57
380
410
440
470
71
41
85
99 113
127 141 155 169 183 197 211 225 239 253 267 281 295
39
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
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Hit#:5 Entry:270366 Library:Wiley9.lib
SI:96 Formula:C18H38 CAS:593-45-3 MolWeight:254 RetIndex:0
CompName:Octadecane (CAS) $$ n-Octadecane $$ Octadecan $$ n - octadecane $$ AI3-06523 $$ CCRIS 681 $$ EINECS 209-790-3 $$ NSC 4201
100
43 57
71
85
41
99
27
20
50
80
113 127
141 155 169 183
110
140
170
254
200
230
260
290
320
350
380
410
440
470
41
99
35
221
239
315325 339
357
375385
401
20
50
80
110
140
170
200
230
260
290
320
350
380
410
Hit#:1 Entry:535916 Library:Wiley9.lib
SI:96 Formula:C28H58 CAS:630-02-4 MolWeight:394 RetIndex:0
CompName:OCTACOSANE $$ AI3-52615 $$ CCRIS 680 $$ EINECS 211-125-7 $$ N-OCTACOSANE $$ NSC 5549
100
57
440
459 470
494
470
43
71
85
41
99 113
127 141 155 169 183 197 211 225
27
281
20
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80
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140
170
200
230
260
290
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350
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Hit#:2 Entry:497898 Library:Wiley9.lib
SI:95 Formula:C26H54 CAS:55333-99-8 MolWeight:366 RetIndex:0
CompName:Eicosane, 7-hexyl- (CAS) $$ 7-n-Hexyleicosane $$ 7-Hexylicosane $$ 7-Hexylicosane (computer-generated name) $$ 7-HEXYLICOSANE # $$ NSC 157988
100
43 57
71
85
41
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Hit#:3 Entry:620560 Library:Wiley9.lib
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