Professional Documents
Culture Documents
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47
69 78 91 107
271 284
305
328
571583
0
30
60
90
120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570
Hit#:1 Entry:90 Library:WILEY7.LIB
SI:99 Formula:C H4 O CAS:67-56-1 MolWeight:32 RetIndex:0
CompName:Methanol (CAS) Carbinol $$ Methylol $$ Wood alcohol $$ Methyl alcohol $$ Methyl hydroxide $$ Monohydroxymethane $$ Methanol-water mixture $$ CH3OH $$ Colonial spirit $$ Colum
100
31
MeOH
27
0
30
60
90
120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570
Hit#:2 Entry:91 Library:WILEY7.LIB
SI:99 Formula:C H4 O CAS:67-56-1 MolWeight:32 RetIndex:0
CompName:Methanol (CAS) Carbinol $$ Methylol $$ Wood alcohol $$ Methyl alcohol $$ Methyl hydroxide $$ Monohydroxymethane $$ Methanol-water mixture $$ CH3OH $$ Colonial spirit $$ Colum
100
31
MeOH
15
14
0
30
60
90
120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570
Hit#:3 Entry:96 Library:WILEY7.LIB
SI:98 Formula:C H4 O CAS:67-56-1 MolWeight:32 RetIndex:0
CompName:Methanol (CAS) Carbinol $$ Methylol $$ Wood alcohol $$ Methyl alcohol $$ Methyl hydroxide $$ Monohydroxymethane $$ Methanol-water mixture $$
100
31
MeOH
15
13
0
30
60
90
120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570
Hit#:4 Entry:1846 Library:WILEY7.LIB
SI:98 Formula:C3 H9 N O CAS:6168-72-5 MolWeight:75 RetIndex:0
CompName:1-Propanol, 2-amino-, (.+-.)- (CAS) 1-Propanol, 2-amino-, DL- $$ .+-.-2-Amino-1-propanol $$ DL-Alaninol $$ DL-2-Amino-1-propanol $$ DL-2-Aminopropanol $$ 1-Propanol, 2-amino-, (.+
100
31
49
73 84
0
30
60
90
120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570
Hit#:5 Entry:93 Library:WILEY7.LIB
SI:98 Formula:C H4 O CAS:67-56-1 MolWeight:32 RetIndex:0
CompName:Methanol (CAS) Carbinol $$ Methylol $$ Wood alcohol $$ Methyl alcohol $$ Methyl hydroxide $$ Monohydroxymethane $$ Methanol-water mixture $$ CH3OH $$ Colonial spirit $$ Colum
100
31
MeOH
28
30
60
90
120
150
180
210
240
270
300
330
360
390
420
450
480
510
540
570
58
30 39
75
92
119131143
162
182
272
296
321
345 360
388
419
441453
10
40
70
100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:494 Library:WILEY7.LIB
SI:98 Formula:C3 H6 O CAS:67-64-1 MolWeight:58 RetIndex:0
CompName:2-Propanone (CAS) Acetone $$ PROPAN-2-ONE $$ Propanone $$ Methyl ketone $$ Dimethyl ketone $$ Pyroacetic ether $$ .beta.-Ketopropane $$ Dimethylformaldehyde $$ ACETONE (2-P
100
43
Me COMe
15
58
14
29
10
40
70
100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:486 Library:WILEY7.LIB
SI:98 Formula:C3 H6 O CAS:67-64-1 MolWeight:58 RetIndex:0
CompName:2-Propanone (CAS) Acetone $$ PROPAN-2-ONE $$ Propanone $$ Methyl ketone $$ Dimethyl ketone $$ Pyroacetic ether $$ .beta.-Ketopropane $$ Dimethylformaldehyde $$ ACETONE (2-P
100
43
Me COMe
58
27
25
10
40
70
100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:492 Library:WILEY7.LIB
SI:98 Formula:C3 H6 O CAS:67-64-1 MolWeight:58 RetIndex:0
CompName:2-Propanone (CAS) Acetone $$ PROPAN-2-ONE $$ Propanone $$ Methyl ketone $$ Dimethyl ketone $$ Pyroacetic ether $$ .beta.-Ketopropane $$ Dimethylformaldehyde $$ ACETONE (2-P
100
43
Me COMe
58
24
10
40
70
100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:495 Library:WILEY7.LIB
SI:98 Formula:C3 H6 O CAS:67-64-1 MolWeight:58 RetIndex:0
CompName:2-Propanone (CAS) Acetone $$ PROPAN-2-ONE $$ Propanone $$ Methyl ketone $$ Dimethyl ketone $$ Pyroacetic ether $$ .beta.-Ketopropane $$ Dimethylformaldehyde $$ ACETONE (2-P
100
43
Me COMe
58
24
39
10
40
70
100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:493 Library:WILEY7.LIB
SI:97 Formula:C3 H6 O CAS:67-64-1 MolWeight:58 RetIndex:0
CompName:2-Propanone (CAS) Acetone $$ PROPAN-2-ONE $$ Propanone $$ Methyl ketone $$ Dimethyl ketone $$ Pyroacetic ether $$ .beta.-Ketopropane $$ Dimethylformaldehyde $$ ACETONE (2-P
100
43
Me COMe
58
26
10
40
70
100
130
160
190
220
250
280
310
340
370
400
430
460
490
520
550
580
41
71
85 99 113 127 142 155 171
30
193 207
229
249
270
306 321
343 358
381
405
430
460
483
10
40
70
100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:31674 Library:WILEY7.LIB
SI:97 Formula:C9 H18 O CAS:821-55-6 MolWeight:142 RetIndex:0
CompName:2-Nonanone (CAS) Methyl heptyl ketone $$ Nonan-2-one $$ Heptyl methyl ketone $$ Methyl n-heptyl ketone $$ n-C7H15COCH3 $$ .beta.-Nonanone $$ Ketone, heptyl methyl $$ 4-METHY
100
43 58
Me (CH 2) 6 COMe
41
71
85 99 113 127 142
37
10
40
70
100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:31673 Library:WILEY7.LIB
SI:97 Formula:C9 H18 O CAS:821-55-6 MolWeight:142 RetIndex:0
CompName:2-Nonanone (CAS) Methyl heptyl ketone $$ Nonan-2-one $$ Heptyl methyl ketone $$ Methyl n-heptyl ketone $$ n-C7H15COCH3 $$ .beta.-Nonanone $$ Ketone, heptyl methyl $$ 4-METHY
100
43 58
Me (CH 2) 6 COMe
41
27
71
85 99 113 127 142
26
10
40
70
100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:31678 Library:WILEY7.LIB
SI:97 Formula:C9 H18 O CAS:821-55-6 MolWeight:142 RetIndex:0
CompName:2-Nonanone (CAS) Methyl heptyl ketone $$ Nonan-2-one $$ Heptyl methyl ketone $$ Methyl n-heptyl ketone $$ n-C7H15COCH3 $$ .beta.-Nonanone $$ Ketone, heptyl methyl $$ 4-METHY
100
43 58
Me (CH 2) 6 COMe
27
26
41
71
85 99 113 127 142
10
40
70
100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:31668 Library:WILEY7.LIB
SI:97 Formula:C9 H18 O CAS:821-55-6 MolWeight:142 RetIndex:0
CompName:2-Nonanone (CAS) Methyl heptyl ketone $$ Nonan-2-one $$ Heptyl methyl ketone $$ Methyl n-heptyl ketone $$ n-C7H15COCH3 $$ .beta.-Nonanone $$ Ketone, heptyl methyl $$ 4-METHY
100
43 58
Me (CH 2) 6 COMe
27 41
71
85 99 113 127 142
14
10
40
70
100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:31680 Library:WILEY7.LIB
SI:96 Formula:C9 H18 O CAS:821-55-6 MolWeight:142 RetIndex:0
CompName:2-Nonanone (CAS) Methyl heptyl ketone $$ Nonan-2-one $$ Heptyl methyl ketone $$ Methyl n-heptyl ketone $$ n-C7H15COCH3 $$ .beta.-Nonanone $$ Ketone, heptyl methyl $$ 4-METHY
100
43 58
Me (CH 2) 6 COMe
27
10
41
71
84 99 113 127 142
40
70
100
130
160
190
220
250
280
310
340
370
400
430
460
490
520
550
580
69
70
41
30
162174
198
221
243
381 398410
10
40
70
100 130 160 190 220 250 280 310 340 370 400
Hit#:1 Entry:33480 Library:WILEY7.LIB
SI:95 Formula:C9 H20 O CAS:628-99-9 MolWeight:144 RetIndex:0
CompName:2-Nonanol (CAS) nonan-2-ol $$ 2-Nonadecanol $$ Nonanol-(2) $$ 1-Methyl-1-octanol $$
100
45
431
450 468
489
430
460
490
520
550
587
580
MeCH(OH) (CH 2 ) 6 Me
27 41
69
84 98
14
115 129
10
40
70
100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550
Hit#:2 Entry:63460 Library:WILEY7.LIB
SI:95 Formula:C11 H24 O CAS:1653-30-1 MolWeight:172 RetIndex:0
CompName:2-Undecanol (CAS) sec-Undecyl alcohol $$ Methyl nonyl carbinol $$ undecan-2-ol $$ (+)-2-Undecanol $$ 2-Hydroxyundecane $$
100
45
580
MeCH(OH) (CH 2 ) 8 Me
41
27
26
57
83 97
112 126
154
10
40
70
100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550
Hit#:3 Entry:63459 Library:WILEY7.LIB
SI:94 Formula:C11 H24 O CAS:1653-30-1 MolWeight:172 RetIndex:0
CompName:2-Undecanol (CAS) sec-Undecyl alcohol $$ Methyl nonyl carbinol $$ undecan-2-ol $$ (+)-2-Undecanol $$ 2-Hydroxyundecane $$
100
45
580
MeCH(OH) (CH 2 ) 8 Me
27
41
57
83 97
112 126
15
154
10
40
70
100 130 160 190 220 250 280
Hit#:4 Entry:48015 Library:WILEY7.LIB
SI:94 Formula:C10 H22 O CAS:1120-06-5 MolWeight:158 RetIndex:0
CompName:2-Decanol (CAS) 2-Hydroxydecane $$ Methyl-n-octyl carbinol $$
100
45
310
340
370
400
430
460
490
520
550
580
MeCH(OH) (CH 2 ) 7 Me
27
41
69
14
83
98 112
140
10
40
70
100 130 160 190 220 250 280
Hit#:5 Entry:33481 Library:WILEY7.LIB
SI:94 Formula:C9 H20 O CAS:628-99-9 MolWeight:144 RetIndex:0
CompName:2-Nonanol (CAS)
100
45
310
340
370
400
430
460
490
520
550
580
MeCH(OH) (CH 2 ) 6 Me
27
41
69
84 98
10
40
70
100
126
130
160
190
220
250
280
310
340
370
400
430
460
490
520
550
580
107
41
53
121
133
147
161
189
175
30
204 221
245
275
306
331343
377389 403
424
447
474486
516
543 556
577 592
20
50
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110
140
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230
260
290
320
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380
410
440
470
500
530
560
Hit#:1 Entry:100726 Library:WILEY7.LIB
SI:96 Formula:C15 H24 CAS:515-13-9 MolWeight:204 RetIndex:0
CompName:(-)-.beta.-Elemene $$ Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1.alpha.,2.beta.,4.beta.)]- (CAS) CIS-1,3-DIISOPROPENYL-TRANS-4-VINYL-4-METHYLCYCLOH
100
81 93
68
41
CH CH 2
Me
107
55
121
133
27
147 161
CMe CH 2
H 2 C CMe
189
175
20
50
80
110
140
170
200
230
260
Hit#:2 Entry:100278 Library:WILEY7.LIB
SI:96 Formula:C15 H24 CAS:515-13-9 MolWeight:204 RetIndex:0
CompName:.BETA. ELEMENE $$
100
93
290
320
350
380
410
440
470
500
530
560
81
107
67
41
39
CH CH 2
Me
121
53
147
133
161
CMe CH 2
H 2 C CMe
189
175
20
50
80
110
140
170
200
230
260
Hit#:3 Entry:101098 Library:WILEY7.LIB
SI:96 Formula:C15 H24 CAS:515-13-9 MolWeight:204 RetIndex:0
CompName:.beta.-elemene $$
100
93
290
320
350
380
410
440
470
500
530
560
81
67
CH CH 2
Me
107
41
121
53
39
147
133
161
CMe CH 2
H 2 C CMe
189
175
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
Hit#:4 Entry:100725 Library:WILEY7.LIB
SI:95 Formula:C15 H24 CAS:515-13-9 MolWeight:204 RetIndex:0
CompName:(-)-.beta.-Elemene $$ Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1.alpha.,2.beta.,4.beta.)]- (CAS) CIS-1,3-DIISOPROPENYL-TRANS-4-VINYL-4-METHYLCYCLOH
100
81
93
68
41
CH CH 2
Me
107
121
55
147
161
133
27
204
20
50
80
110
140
170
200
230
260
Hit#:5 Entry:101097 Library:WILEY7.LIB
SI:94 Formula:C15 H24 CAS:515-13-9 MolWeight:204 RetIndex:0
CompName:.beta.-elemene $$
100
81
68
CMe CH 2
H 2 C CMe
189
175
290
320
350
380
410
440
470
500
530
93
CH CH 2
Me
41
107
55
121
27
147
133
161
50
80
110
140
170
CMe CH 2
H 2 C CMe
189
175
20
560
204
200
230
260
290
320
350
380
410
440
470
500
530
560
133
105
55
120
147 161
30
278
305 321
399 415
434 449
471
499
521
544
564 578
597
20
50
80
110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:1 Entry:100779 Library:WILEY7.LIB
SI:95 Formula:C15 H24 CAS:87-44-5 MolWeight:204 RetIndex:0
CompName:trans-Caryophyllene $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]- (CAS) l-Caryophyllene $$ (-)-Caryophyllene $$ Caryophyllene $$ .beta.-Caryophyllen
100
41
93
79
133
69
39
CH 2
105
Me
120
53
Me
147 161
Me
175 189
20
50
80
110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:2 Entry:100792 Library:WILEY7.LIB
SI:94 Formula:C15 H24 CAS:87-44-5 MolWeight:204 RetIndex:0
CompName:trans-Caryophyllene $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]- (CAS) l-Caryophyllene $$ (-)-Caryophyllene $$ Caryophyllene $$ .beta.-Caryophyllen
100
41
69
CH 2
93
39
Me
133
79
55
107
Me
120
148 161
175
Me
189 204
20
50
80
110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:3 Entry:100781 Library:WILEY7.LIB
SI:94 Formula:C15 H24 CAS:87-44-5 MolWeight:204 RetIndex:0
CompName:trans-Caryophyllene $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]- (CAS) l-Caryophyllene $$ (-)-Caryophyllene $$ Caryophyllene $$ .beta.-Caryophyllen
100
41
69
CH 2
93
Me
133
79
55
107
27
Me
120
148 161
175
Me
189 204
20
50
80
110 140 170 200 230 260
Hit#:4 Entry:100327 Library:WILEY7.LIB
SI:94 Formula:C15 H24 CAS:0-00-0 MolWeight:204 RetIndex:0
CompName:TRANS(.BETA.)-CARYOPHYLLENE $$
100
41
69
93
290
320
350
380
410
440
470
500
530
560
590
133
79
105
55
120
39
147
161
189
175
204
20
50
80
110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:5 Entry:100774 Library:WILEY7.LIB
SI:93 Formula:C15 H24 CAS:87-44-5 MolWeight:204 RetIndex:0
CompName:trans-Caryophyllene $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]- (CAS) l-Caryophyllene $$ (-)-Caryophyllene $$ Caryophyllene $$ .beta.-Caryophyllen
100
41
93
69
CH 2
79
27
105 120
55
Me
133
Me
147 161
175
20
50
80
110
140
170
Me
189 204
200
230
260
290
320
350
380
410
440
470
500
530
560
590
80
41
107
53 67
121
147
161 175 189 204 216
136
30
244
403
481
511 524536
558
579
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
Hit#:1 Entry:100734 Library:WILEY7.LIB
SI:97 Formula:C15 H24 CAS:6753-98-6 MolWeight:204 RetIndex:0
CompName:.alpha.-Humulene $$ 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)- (CAS) 4,7,10-CYCLOUNDECATRIENE, 1,1,4,8-TETRAMETHYL-, ALL-CIS $$ Humulene $$ .alpha.-Caryophy
100
93
Me
80
121
41
67
39 53
Me
Me
147
107
161
136
Me
189 204
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
Hit#:2 Entry:100736 Library:WILEY7.LIB
SI:95 Formula:C15 H24 CAS:6753-98-6 MolWeight:204 RetIndex:0
CompName:.alpha.-Humulene $$ 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)- (CAS) 4,7,10-CYCLOUNDECATRIENE, 1,1,4,8-TETRAMETHYL-, ALL-CIS $$ Humulene $$ .alpha.-Caryophy
100
93
Me
80
41
Me
Me
121
147
107
55 67
27
136
161
189
Me
204
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
Hit#:3 Entry:100739 Library:WILEY7.LIB
SI:95 Formula:C15 H24 CAS:6753-98-6 MolWeight:204 RetIndex:0
CompName:.alpha.-Humulene $$ 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)- (CAS) 4,7,10-CYCLOUNDECATRIENE, 1,1,4,8-TETRAMETHYL-, ALL-CIS $$ Humulene $$ .alpha.-Caryophy
100
93
Me
80
41
Me
Me
121
107
53 67
147
136
40
161
189
Me
204
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
Hit#:4 Entry:100733 Library:WILEY7.LIB
SI:95 Formula:C15 H24 CAS:6753-98-6 MolWeight:204 RetIndex:0
CompName:.alpha.-Humulene $$ 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)- (CAS) 4,7,10-CYCLOUNDECATRIENE, 1,1,4,8-TETRAMETHYL-, ALL-CIS $$ Humulene $$ .alpha.-Caryophy
100
93
Me
80
41
27
43
67
Me
Me
121
107
136
147
161
Me
189 204
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
Hit#:5 Entry:100740 Library:WILEY7.LIB
SI:95 Formula:C15 H24 CAS:6753-98-6 MolWeight:204 RetIndex:0
CompName:.alpha.-Humulene $$ 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)- (CAS) 4,7,10-CYCLOUNDECATRIENE, 1,1,4,8-TETRAMETHYL-, ALL-CIS $$ Humulene $$ .alpha.-Caryophy
100
93
Me
80
27
20
Me
Me
121
41
107
55 67
50
147
136
80
110
140
161
170
189
Me
204
200
230
260
290
320
350
380
410
440
470
500
530
560
119
81
41
133
55 67
147
30
204
175 189
220
249
278
10
40
70
100 130 160 190 220 250 280
Hit#:1 Entry:100276 Library:WILEY7.LIB
SI:94 Formula:C15 H24 CAS:23986-74-5 MolWeight:204 RetIndex:0
CompName:GERMACRENE-D $$
100
161
302 320
310
339351 366
340
370
400
430
460
487
490
520
557
550
577589
580
91 105
79
41
39
119
133
55 67
204
147
10
40
70
100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:101085 Library:WILEY7.LIB
SI:94 Formula:C15 H24 CAS:23986-74-5 MolWeight:204 RetIndex:0
CompName:Germacrene D $$ 1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-, [s-(E,E)]- (CAS) Germacra-1(10),4(15),5-triene, (-)- (CAS) (-)-Germacrene D $$
100
161
105
91
41
119
79
27
133
55 67
204
147
10
40
70
100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:101086 Library:WILEY7.LIB
SI:92 Formula:C15 H24 CAS:23986-74-5 MolWeight:204 RetIndex:0
CompName:Germacrene D $$ 1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-, [s-(E,E)]- (CAS) Germacra-1(10),4(15),5-triene, (-)- (CAS) (-)-Germacrene D $$
100
161
91
41
105
81
119
55
67
133
29
204
147
10
40
70
100 130 160 190 220 250 280
Hit#:4 Entry:100272 Library:WILEY7.LIB
SI:92 Formula:C15 H24 CAS:23986-74-5 MolWeight:204 RetIndex:0
CompName:GERMACRENE-D $$
100
161
310
340
370
400
430
460
490
520
550
580
310
340
370
400
430
460
490
520
550
580
310
340
370
400
430
460
490
520
550
580
105
91
119
81
41
39
133
55 67
204
147
10
40
70
100 130 160 190 220 250 280
Hit#:5 Entry:100286 Library:WILEY7.LIB
SI:90 Formula:C15 H24 CAS:23986-74-5 MolWeight:204 RetIndex:0
CompName:GERMACRENE-D $$
100
161
105
91
81
55
119
133
67
51
10
40
204
147
70
100
130
160
190
220
250
280
30
41 53 65
148
79 91
115 133
252
274
10
40
70
100 130 160 190 220 250 280
Hit#:1 Entry:115778 Library:WILEY7.LIB
SI:92 Formula:C15 H20 O CAS:17910-09-7 MolWeight:216 RetIndex:0
CompName:Curzerene $$
100
108
297 313
310
340
370
400
430
460
490
520
557 575
550
Me H 2 C CH
148
27
79 91
39
119 133
53 65
Me
H 2 C CMe
159 173
187
597
580
201 216
10
40
70
100 130 160 190 220 250 280
Hit#:2 Entry:115323 Library:WILEY7.LIB
SI:82 Formula:C15 H20 O CAS:19912-61-9 MolWeight:216 RetIndex:0
CompName:Furanodiene $$
100
108
310
340
370
400
430
460
490
520
550
580
Me
O
216
91
41 53 65 77
18
Me
159
Me
10
40
70
100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:168253 Library:WILEY7.LIB
SI:81 Formula:C16 H20 O3 CAS:19912-86-8 MolWeight:260 RetIndex:0
CompName:ISOSERICENINE $$ 5-Benzofuranacetic acid, 6-ethenyl-4,5,6,7-tetrahydro-3,6-dimethyl-.alpha.-methylene-, methyl ester (CAS) Isosericenin $$ p-Mentha-4,8-diene-2-acetic acid, 5,9-epoxy100
108
Me H2 C CH
Me OC(O) C
27 39
55
65
Me
H2C
79 91
260
10
40
70
100 130 160 190 220 250 280
Hit#:4 Entry:51123 Library:WILEY7.LIB
SI:75 Formula:C12 H18 CAS:61142-14-1 MolWeight:162 RetIndex:0
CompName:Cyclohexene, 3,4-diethenyl-1,6-dimethyl- (CAS)
100
93
310
340
370
400
430
460
490
520
550
580
CH CH 2
108
CH CH 2
41
27
Me
77
Me
53 65
10
40
70
100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:38767 Library:WILEY7.LIB
SI:74 Formula:C10 H14 O CAS:494-90-6 MolWeight:150 RetIndex:0
CompName:Benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl- (CAS) Menthofuran $$ Menthofurane $$ 3,9-Epoxy-p-mentha-3,8-diene $$ p-Mentha-3,8-diene, 3,9-epoxy- $$
100
108
Me
150
39 51
27
65
10
40
Me
79
70
91
100
121 135
130
160
190
220
250
280
310
340
370
400
430
460
490
520
550
580
133
41
55 67
119
147 161 175
204
220231
33
252
20
50
80
110
140
170
200
230
260
Hit#:1 Entry:101103 Library:WILEY7.LIB
SI:92 Formula:C15 H24 CAS:473-13-2 MolWeight:204 RetIndex:0
CompName:.alpha.-selinene $$
100
93
107
81
41
298 313
290
320
340
350
373 386
380
418
410
440 455
440
470
500
530
560
189
55
Me
H 2 C CMe
204
133
67
278
161
119
147
175
Me
27
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
Hit#:2 Entry:100900 Library:WILEY7.LIB
SI:90 Formula:C15 H24 CAS:473-13-2 MolWeight:204 RetIndex:0
CompName:(-)-.alpha.-Selinene $$ Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, [2R-(2.alpha.,4a.alpha.,8a.beta.)]- $$ Eudesma-3,11-diene (CAS) Selina-3,11-diene $$ .al
100
189
Me
204
93
81
41
H 2 C CMe
107
133
55
161
121
67
147
175
27
Me
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
Hit#:3 Entry:100769 Library:WILEY7.LIB
SI:88 Formula:C15 H24 CAS:18431-82-8 MolWeight:204 RetIndex:0
CompName:.beta.-Chamigrene $$ Spiro[5.5]undec-2-ene, 3,7,7-trimethyl-11-methylene-, (-)- (CAS) Spiro[5.5]undec-2-ene, 3,7,7-trimethyl-11-methylene-, (R)- (CAS) Chamigren $$ Chamigrene $$ BETA
100
93
189
41
Me
105
Me
79
55
121
133
69
Me
204
147 161 175
27
CH 2
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
Hit#:4 Entry:100767 Library:WILEY7.LIB
SI:88 Formula:C15 H24 CAS:18431-82-8 MolWeight:204 RetIndex:0
CompName:.beta.-Chamigrene $$ Spiro[5.5]undec-2-ene, 3,7,7-trimethyl-11-methylene-, (-)- (CAS) Spiro[5.5]undec-2-ene, 3,7,7-trimethyl-11-methylene-, (R)- (CAS) Chamigren $$ Chamigrene $$ BETA
100 28
Me
Me
Me
93
55 69
27
79
105
189
121 133
147 161 175
204
CH 2
20
50
80
110
140
170
200
230
260
290
Hit#:5 Entry:100908 Library:WILEY7.LIB
SI:88 Formula:C15 H24 CAS:29868-52-8 MolWeight:204 RetIndex:0
CompName:5-BETA-H,7-BETA,10-ALPHA-SELINA-4(19),11-DIENE $$
100
41
161
55 67 79
39
20
80
350
380
410
440
470
500
530
560
320
350
380
410
440
470
500
530
560
91 105
133
110
189 204
147
119
50
320
175
140
170
200
230
260
290
69
161
121
133
147
189 204
177
30
293
318 332
356 369
405 419
445
475
503
582
20
50
80
110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:1 Entry:101021 Library:WILEY7.LIB
SI:89 Formula:C15 H24 CAS:21747-46-6 MolWeight:204 RetIndex:0
CompName:Ledene $$ 1H-Cycloprop[e]azulene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-, [1aR-(1a.alpha.,7.alpha.,7a.beta.,7b.alpha.)]- $$ Viridiflorene $$ (+)-Ledene $$ 1H-Cycloprop[e]azulene
100
41
107
93
161
119 135
79
55
189 204
67
27
147
175
20
50
80
110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:2 Entry:124085 Library:WILEY7.LIB
SI:89 Formula:C15 H26 O CAS:552-02-3 MolWeight:222 RetIndex:0
CompName:VERIDIFLOROL $$ Viridiflorol $$ 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1aR-(1a.alpha.,4.beta.,4a.beta.,7.alpha.,7a.beta.,7b.alpha.)]- $$
100
41
Me
Me
Me
43
69 79 93 105
161
27
119
135
189 204
147
HO
175
Me
20
50
80
110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:3 Entry:101012 Library:WILEY7.LIB
SI:88 Formula:C15 H24 CAS:25246-27-9 MolWeight:204 RetIndex:0
CompName:Alloaromadendrene $$ 1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, [1aR-(1a.alpha.,4a.beta.,7.alpha.,7a.beta.,7b.alpha.)]- (CAS) Alloaromadendren $$ allo-Aromadendre
100
41
161
91
69
Me
105
79
55
Me
Me
119
133
204
147
189
27
H 2C
175
20
50
80
110 140 170 200 230 260
Hit#:4 Entry:100357 Library:WILEY7.LIB
SI:88 Formula:C15 H24 CAS:0-00-0 MolWeight:204 RetIndex:0
CompName:"KW3 AUS EPIGLOBULOL" $$
100
79 93 107
500
530
560
590
20
50
80
110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:5 Entry:100352 Library:WILEY7.LIB
SI:88 Formula:C15 H24 CAS:0-00-0 MolWeight:204 RetIndex:0
CompName:CYCLOHEPTAN, 4-METHYLEN-1-METHYL-2-(2-METHYL-1-PROPEN-1-YL)-1-VINYL- (HUMULEN-"V $$
100
93 107
530
560
590
530
560
590
41
290
320
350
380
410
440
470
161
55 67
27
204
175
41
81
67
55
119 133
20
161
189
147
27
176
50
80
110
140
170
204
200
230
260
290
320
350
380
410
440
470
500
66
39
30
230
77
53
105
162
128 145
187 201
215
240
266 284
10
40
70
100 130 160 190 220 250 280
Hit#:1 Entry:150195 Library:WILEY7.LIB
SI:75 Formula:C16 H20 O2 CAS:0-00-0 MolWeight:244 RetIndex:0
CompName:2,4-Di-spironorbornylcyclobuta-1,3-dione (ketene dimers) $$
100
122
306
310
340
370
404 420
400
430
443
463 481
460
490
520
550
582 596
580
93
27
39
53
65 79
107
187
159
216
244
10
40
70
100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:69462 Library:WILEY7.LIB
SI:72 Formula:C11 H14 O2 CAS:129461-33-2 MolWeight:178 RetIndex:0
CompName:2-CYCLOHEXEN-1-ONE, 4-ETHYNYL-4-HYDROXY-3,5,5-TRIMETHYL- $$ 5,5,8-TRIMETHYL-NONA-3,6,7-TRIEN-2-ONE $$
100
122
27
39 53
94
66
77
103
135
10
40
70
100 130 160 190 220 250 280 310 340 370 400 430 460 490
Hit#:3 Entry:197700 Library:WILEY7.LIB
SI:72 Formula:C19 H26 O2 CAS:846-48-0 MolWeight:286 RetIndex:0
CompName:boldenone $$ androsta-1,4-diene-17.beta.-ol-3-one $$ ANDROSTA-1,4-DIEN-3-ONE, 17.BETA.-HYDROXY- $$
100
122
520
550
580
91
39
107
55 67 77
173
10
40
70
100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:38771 Library:WILEY7.LIB
SI:71 Formula:C10 H14 O CAS:1196-55-0 MolWeight:150 RetIndex:0
CompName:2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro- (CAS) .delta.1,9-2-Octalone $$ 4,4a,5,6,7,8-Hexahydronaphthalen-2(3H)-one $$ .delta.(1(2))-Bicyclo[4.4.0]decenone-3 $$ .delta.(Sup1,9)-2-Oc
100
122
O
150
94
27
39
79
108
53 66
135
10
40
70
100 130 160 190 220 250 280 310 340 370 400 430
Hit#:5 Entry:74675 Library:WILEY7.LIB
SI:69 Formula:C9 H10 O2 S CAS:17463-01-3 MolWeight:182 RetIndex:0
CompName:2-NONENOIC ACID, ETHYL ESTER $$ 3-THIA-TRICYCLO[5.2.1.0 1,5]DECANE-2,4-DIONE $$
100
93
122
460
490
520
550
580
460
490
520
550
580
79
39
27
53
66
182
107
10
40
70
100
130
160
190
220
250
280
310
340
370
400
430
93 107
69 79
136
159
180 193
221
30
236
253 266
292
315327
346
373 388
411 427
531
20
50
80
110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:1 Entry:121065 Library:WILEY7.LIB
SI:80 Formula:C15 H24 O CAS:77171-55-2 MolWeight:220 RetIndex:0
CompName:(-)-Spathulenol (CAS) 1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1aS-(1a.alpha.,4a.alpha.,7.beta $$ ent-Spathulenol $$ 1H-Cycloprop[e]azulen-7-ol, decahydro-1,
100
43
Me
Me
Me
OH
41
69 79
91
105
119
159
205
131 147
27
177
H2 C
220
20
50
80
110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:2 Entry:71401 Library:WILEY7.LIB
SI:80 Formula:C12 H20 O CAS:77384-23-7 MolWeight:180 RetIndex:0
CompName:BICYCLO[4.1.0]HEPTANE-7-METHANOL, 1,5,5-TRIMETHYL-2-METHYLENE-, (1.ALPHA.,6.ALPH $$ Bicyclo[4.1.0]heptane-7-methanol, 1,5,5-trimethyl-2-methylene-, (1.alpha.,6.alph
100
121
147
91 107
41
136
79
55
27
162 180
67
20
50
80
110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:3 Entry:182668 Library:WILEY7.LIB
SI:80 Formula:C20 H32 CAS:0-00-0 MolWeight:272 RetIndex:0
CompName:ANTI,ANTI,ANTI-3,3,6,6,9,9,12,12-OCTAMETHYL-PENTACYCLO[9.1.0.0(2,4).0(5,7).0(8,10)]DODECANE $$
100
41
69
43
119
530
560
590
530
560
590
147
162
81
91 105
133
175
27
190
203
20
50
80
110 140 170 200 230 260 290
Hit#:4 Entry:140421 Library:WILEY7.LIB
SI:79 Formula:C15 H24 O2 CAS:4871-97-0 MolWeight:236 RetIndex:0
CompName:Curcumol $$
100
121
320
350
380
410
440
470
500
H2 C
136
O
93 107
41
HO
Me
193
147
55 69 79
167 180
27
236
i-Pr
221
20
50
80
110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:5 Entry:120729 Library:WILEY7.LIB
SI:79 Formula:C15 H24 O CAS:5307-99-3 MolWeight:220 RetIndex:0
CompName:7,7-dichlorobicyclo[3.2.0]hept-2-en-6-one $$ BICYCLO[3.2.0]HEPT-2-EN-6-ONE, 7,7-DICHLORO- $$ 9-ISOPROPYL-1-METHYL-2-METHYLENE-5-OXA-TRICYCLO[5.4.0.0 3,8]UND
100
91 105
41
119
55
20
159
50
220
177
133
69
27
147
79
80
110
140
170
189
200
230
260
290
320
350
380
410
440
470
500
530
560
590
81
41
93
149
107
161
122
189 204
175
30
222
251 264
360 374
400 415
447 464
486
505
525
559 572
595
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
Hit#:1 Entry:123949 Library:WILEY7.LIB
SI:88 Formula:C15 H26 O CAS:639-99-6 MolWeight:222 RetIndex:0
CompName:Elemol $$ Cyclohexanemethanol, 4-ethenyl-.alpha.,.alpha.,4-trimethyl-3-(1-methylethenyl)-, [1R-(1.alpha.,3.alpha.,4.beta.)]- (CAS) o-Menth-8-ene-4-methanol, .alpha.,.alpha.-dimethyl-1-viny
100
59
CH CH 2
Me
93
81
41
107
121
161
135
189
149
27
CMe CH 2
Me 2 COH
204
20
50
80
110
140
170
200
230
260
290
Hit#:2 Entry:123956 Library:WILEY7.LIB
SI:88 Formula:C15 H26 O CAS:21657-90-9 MolWeight:222 RetIndex:0
CompName:HEDYCARYOL $$
100
59
320
350
380
410
440
470
500
530
560
Me
CMe 2 OH
93
41
81
107
161
121
135
Me
189 204
149
27
20
50
80
110
140
170
200
230
260
290
Hit#:3 Entry:123957 Library:WILEY7.LIB
SI:87 Formula:C15 H26 O CAS:21657-90-9 MolWeight:222 RetIndex:0
CompName:HEDYCARYOL $$
100
59
320
350
380
410
440
470
500
530
560
Me
CMe 2 OH
93
41
81
107
161
121
39
135
149
189
175
Me
204
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
Hit#:4 Entry:124002 Library:WILEY7.LIB
SI:87 Formula:C15 H26 O CAS:489-86-1 MolWeight:222 RetIndex:0
CompName:Guaiol $$ 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, [3S-(3.alpha.,5.alpha.,8.alpha.)]- (CAS) 7-(1-HYDROXY-1-METHYLETHYL)-1,4-DIMETHYL-1,2,
100
161
59
Me
Me 2 COH
41
43
107
81 93
119
39
189 204
133 149
Me
222
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
Hit#:5 Entry:123999 Library:WILEY7.LIB
SI:87 Formula:C15 H26 O CAS:489-86-1 MolWeight:222 RetIndex:0
CompName:Guaiol $$ 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, [3S-(3.alpha.,5.alpha.,8.alpha.)]- (CAS) 7-(1-HYDROXY-1-METHYLETHYL)-1,4-DIMETHYL-1,2,
100
59
161
Me
Me 2 COH
41
43
107
81 93
119
27
20
189 204
133 149
Me
222
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
79
159
119
131
69
205
146
187
180
30
262
289
20
50
80
110
140
170
200
230
260
290
Hit#:1 Entry:121043 Library:WILEY7.LIB
SI:83 Formula:C15 H24 O CAS:6750-60-3 MolWeight:220 RetIndex:0
CompName:SPATHULENOL $$
100
43
320
350
365
388
380
411
441
410
440
463
482
470
513
500
535 548
530
567
586
560
Me
Me
Me
OH
41
205
119
91
159
105
69 79
147
187
177
131
220
H2 C
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
Hit#:2 Entry:121065 Library:WILEY7.LIB
SI:82 Formula:C15 H24 O CAS:77171-55-2 MolWeight:220 RetIndex:0
CompName:(-)-Spathulenol (CAS) 1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1aS-(1a.alpha.,4a.alpha.,7.beta $$ ent-Spathulenol $$ 1H-Cycloprop[e]azulen-7-ol, decahydro-1,
100
43
Me
Me
Me
OH
41
69 79
91
105
119
159
205
131 147
27
177
H2 C
220
20
50
80
110
140
170
200
230
260
290
Hit#:3 Entry:121070 Library:WILEY7.LIB
SI:81 Formula:C15 H24 O CAS:84249-42-3 MolWeight:220 RetIndex:0
CompName:valerenol $$
100
91 105
320
350
380
410
440
470
500
530
560
189
41
55
79
119
220
147
133
39
160
67
202
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
Hit#:4 Entry:121122 Library:WILEY7.LIB
SI:80 Formula:C15 H24 O CAS:2298-07-9 MolWeight:220 RetIndex:0
CompName:1-Naphthalenamine, 4-bromo- (CAS) 4-Bromo-1-naphthalenamine $$ 4-Bromo-1-naphthylamine $$ 1-Naphthylamine, 4-bromo- $$ 1-Amino-4-bromonaphthalene $$ 6-ISOPROPENYL-4,8A100
159
Br
41
93
55
67
187
145
105
220
121
205
79
27
177
NH 2
20
50
80
110
140
170
200
230
260
Hit#:5 Entry:120560 Library:WILEY7.LIB
SI:78 Formula:C15 H24 O CAS:0-00-0 MolWeight:220 RetIndex:0
CompName:"NEOCLOVENOXID-ALKOHOL" $$
100
41
290
320
350
380
410
440
470
500
530
560
290
320
350
380
410
440
470
500
530
560
159
91
27
55 67 79
20
50
80
131
105
119
110
205
145
140
177
170
220
200
230
260
167 180
41
55
82
95
121
135
30
152
263 279291
20
50
80
110
140
170
200
230
260
290
Hit#:1 Entry:140550 Library:WILEY7.LIB
SI:90 Formula:C15 H24 O2 CAS:108944-67-8 MolWeight:236 RetIndex:0
CompName:NEOCURDIONE $$
100
41
69
319331
418 432
455 470
496
531543 559
320
350
380
410
440
470
500
530
560
20
50
80
110
140
170
200
230
260
290
320
Hit#:2 Entry:141191 Library:WILEY7.LIB
SI:88 Formula:C15 H24 O2 CAS:13657-68-6 MolWeight:236 RetIndex:0
CompName:Curdione $$ 6,10-Dimethyl-3-(1-methylethyl)-6-cyclodecene-1,4-dione $$
100
41
69
350
380
410
440
470
500
530
560
585
180
109
55
167
39
82 95
121 137
193
55
109
Me
180
167
O
Pr-i
39
82 95
121 137
Me
20
50
80
110
140
170
200
230
260
290
320
Hit#:3 Entry:141192 Library:WILEY7.LIB
SI:85 Formula:C15 H24 O2 CAS:13657-68-6 MolWeight:236 RetIndex:0
CompName:Curdione $$ 6,10-Dimethyl-3-(1-methylethyl)-6-cyclodecene-1,4-dione $$
100
69
350
380
410
440
470
500
41
55
82
Me
O
167
Pr-i
95
121
139
Me
236
152
20
50
80
110
140
170
200
230
260
290
320
350
380
410
Hit#:4 Entry:71389 Library:WILEY7.LIB
SI:76 Formula:C12 H20 O CAS:0-00-0 MolWeight:180 RetIndex:0
CompName:1H-NAPHTHALIN-2-ON, 3,4,5,6,7,8-HEXAHYDRO-4A,8A-DIMETHYL- (CIS/TRANS) $$
100
109
55
560
180
109
41
530
67
82
440
470
500
530
560
440
470
500
530
560
95
180
123
27
165
137
20
50
80
110
140
170
200
230
260
290
320
350
380
Hit#:5 Entry:71242 Library:WILEY7.LIB
SI:76 Formula:C12 H20 O CAS:51557-64-3 MolWeight:180 RetIndex:0
CompName:2(1H)-Naphthalenone, octahydro-4a,5-dimethyl-, (4a.alpha.,5.alpha.,8a.beta.)- (CAS)
100
41
109
410
Me
55
39
69 81
95
123
137
20
Me
180
50
80
110
151 165
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
67
91
41
121
79
53
147 161
31
175
203 218 232
356
383
410
431 447
470 487
592
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
Hit#:1 Entry:118289 Library:WILEY7.LIB
SI:91 Formula:C15 H22 O CAS:6902-91-6 MolWeight:218 RetIndex:0
CompName:Germacrone $$ 3,7-Cyclodecadien-1-one, 3,7-dimethyl-10-(1-methylethylidene)-, (E,E)- (CAS) 1,5-CYCLODODECADIEN-9-ON, 8-ISOPROPYLIDEN-1,5-DIMETHYL-, TRANS,TRANS
100
107
Me
135
67
CMe 2
41
53
27
82
91
121
O
147 161
175
203
Me
218
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
Hit#:2 Entry:118290 Library:WILEY7.LIB
SI:91 Formula:C15 H22 O CAS:6902-91-6 MolWeight:218 RetIndex:0
CompName:Germacrone $$ 3,7-Cyclodecadien-1-one, 3,7-dimethyl-10-(1-methylethylidene)-, (E,E)- (CAS) 1,5-CYCLODODECADIEN-9-ON, 8-ISOPROPYLIDEN-1,5-DIMETHYL-, TRANS,TRANS
100
107
Me
135
67
CMe 2
41
39 53
82
91
121
O
147
175
Me
218
161
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
Hit#:3 Entry:82844 Library:WILEY7.LIB
SI:90 Formula:C13 H18 O CAS:55521-11-4 MolWeight:190 RetIndex:0
CompName:3,7-Cyclodecadien-1-one, 10-(1-methylethenyl)-, (E,E)- (CAS) 2-ISOPROPYLIDENE-TRANS,TRANS-CYCLODECA-4,8-DIENONE $$
100
107
67
41
135
CMe CH 2
91
53
79
121
27
218
175
147
203
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
Hit#:4 Entry:118288 Library:WILEY7.LIB
SI:89 Formula:C15 H22 O CAS:6902-91-6 MolWeight:218 RetIndex:0
CompName:Germacrone $$ 3,7-Cyclodecadien-1-one, 3,7-dimethyl-10-(1-methylethylidene)-, (E,E)- (CAS) 1,5-CYCLODODECADIEN-9-ON, 8-ISOPROPYLIDEN-1,5-DIMETHYL-, TRANS,TRANS
100
107
135
Me
121
67
41
CMe 2
93
82
53
150
27
161
175
203
Me
218
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
Hit#:5 Entry:118287 Library:WILEY7.LIB
SI:88 Formula:C15 H22 O CAS:6902-91-6 MolWeight:218 RetIndex:0
CompName:Germacrone $$ 3,7-Cyclodecadien-1-one, 3,7-dimethyl-10-(1-methylethylidene)-, (E,E)- (CAS) 1,5-CYCLODODECADIEN-9-ON, 8-ISOPROPYLIDEN-1,5-DIMETHYL-, TRANS,TRANS
100
107
135
Me
CMe 2
67
121
28
20
41
79
80
175
147
53
50
218
91
110
140
161
170
Me
203
200
230
260
290
320
350
380
410
440
470
500
530
560
41 55
167
180
121
82 95
139
30
255
20
50
80
110
140
170
200
230
260
290
320
Hit#:1 Entry:141191 Library:WILEY7.LIB
SI:92 Formula:C15 H24 O2 CAS:13657-68-6 MolWeight:236 RetIndex:0
CompName:Curdione $$ 6,10-Dimethyl-3-(1-methylethyl)-6-cyclodecene-1,4-dione $$
100
41
69
55
109
350
380
410
450
440
470
470
500
560
530
Me
180
167
O
Pr-i
39
82 95
121 137
Me
20
50
80
110
140
170
200
230
260
290
Hit#:2 Entry:140550 Library:WILEY7.LIB
SI:90 Formula:C15 H24 O2 CAS:108944-67-8 MolWeight:236 RetIndex:0
CompName:NEOCURDIONE $$
100
41
69
320
350
380
410
440
470
500
530
560
20
50
80
110
140
170
200
230
260
290
320
Hit#:3 Entry:141192 Library:WILEY7.LIB
SI:88 Formula:C15 H24 O2 CAS:13657-68-6 MolWeight:236 RetIndex:0
CompName:Curdione $$ 6,10-Dimethyl-3-(1-methylethyl)-6-cyclodecene-1,4-dione $$
100
69
350
380
410
440
470
500
530
560
180
109
55
167
39
82 95
121 137
193
41
55
Me
180
109
82
167
Pr-i
95
121
139
Me
236
152
20
50
80
110
140
170
200
230
260
290
320
350
380
Hit#:4 Entry:71242 Library:WILEY7.LIB
SI:81 Formula:C12 H20 O CAS:51557-64-3 MolWeight:180 RetIndex:0
CompName:2(1H)-Naphthalenone, octahydro-4a,5-dimethyl-, (4a.alpha.,5.alpha.,8a.beta.)- (CAS)
100
41
109
410
440
470
500
530
560
Me
55
Me
180
39
69 81
95
123
137
151 165
20
50
80
110
140
170
200
230
260
290
320
350
380
410
Hit#:5 Entry:71389 Library:WILEY7.LIB
SI:80 Formula:C12 H20 O CAS:0-00-0 MolWeight:180 RetIndex:0
CompName:1H-NAPHTHALIN-2-ON, 3,4,5,6,7,8-HEXAHYDRO-4A,8A-DIMETHYL- (CIS/TRANS) $$
100
109
41
55
67
82
80
500
530
560
440
470
500
530
560
180
123
50
470
95
27
20
440
110
137
140
165
170
200
230
260
290
320
350
380
410
39
65
77
197
105
53
212
147
128
230
187
30
239 253
595
20
50
80
110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:1 Entry:118281 Library:WILEY7.LIB
SI:70 Formula:C15 H22 O CAS:77822-57-2 MolWeight:218 RetIndex:0
CompName:(E)-2,3,3-Trimethyl-2-(3'-methyl-1'.3'-butadien-1'-yl)-6-methylidencyclohexanone $$ Cyclohexanone, 2,3,3-trimethyl-2-(3-methyl-1,3-butadienyl)-6-methylene-, (E)- (CAS) 2,3,3-TRIMETHY
100
163
41
Me
119
218
91 105
55
Me
CH CH CMe CH 2
Me
147
79
203
69
135
27
175
CH 2
20
50
80
110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:2 Entry:174945 Library:WILEY7.LIB
SI:68 Formula:C15 H22 O4 CAS:2198-92-7 MolWeight:266 RetIndex:0
CompName:Verrucarol $$ Trichothec-9-ene-4,15-diol, 12,13-epoxy-, (4.beta.)- $$ Trichothec-9-ene-4.beta.,15-diol, 12,13-epoxy- $$ Spiro[2,5-methano-1-benzoxepin-10,2'-oxirane], trichothec-9-ene-4,15
100
41
43
91
77
Me
105
39
119
67
131
145 159
191
CH 2 OH
173
Me
OH
235
20
50
80
110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:3 Entry:140422 Library:WILEY7.LIB
SI:67 Formula:C15 H24 O2 CAS:37841-93-3 MolWeight:236 RetIndex:0
CompName:ISO-VELLERDIOL $$ Cycloprop[e]indene-1a,2(1H)-dimethanol, 3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1a.alpha.,3a.beta.,6a.beta.,6b.alpha.)-(-)- (CAS) Isovellerdiol $$
100
94
105
Me
41
Me
79
55
39
Me
119
133
69
203
CH 2 OH
236
218
20
50
80
110 140 170 200 230 260 290
Hit#:4 Entry:118333 Library:WILEY7.LIB
SI:67 Formula:C15 H22 O CAS:4176-16-3 MolWeight:218 RetIndex:0
CompName:Valerenal $$
100
91
175
41
79
105
147
55
39
119
CH 2 OH
187
159 175
145
320
350
380
410
440
470
500
530
560
590
185
161
203
133
218
65
20
50
80
110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:5 Entry:263612 Library:WILEY7.LIB
SI:66 Formula:C20 H28 O6 CAS:52557-29-6 MolWeight:364 RetIndex:0
CompName:1H-2,8a-Methanocyclopenta[a]cyclopropa[e]cyclodecen-11-one, 1a,2,5,5a,6,9,10,10a-octahydro-5,5a,6-trihydroxy-1,4-bis(hydroxymethyl)-1,7,9-trimethyl-, [1S-(1.alpha.,1a.alpha.,2.alpha.,5.b
100
41
CH 2 OH
Me
Me
77 91
Me
121
65
27
105
135 151
HO
HO
HO
CH 2 OH
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
590
176
41
107
79 91
149 161
121 133
191
234
201 219
30
20
50
80
110
140
170
200
230
260
Hit#:1 Entry:120388 Library:WILEY7.LIB
SI:77 Formula:C15 H24 O CAS:0-00-0 MolWeight:220 RetIndex:0
CompName:LEDENOXIDE-(I) $$
100
41
43
419
537
567
320
350
380
410
440
470
500
530
560
290
320
350
380
410
440
470
500
530
560
290
320
350
380
410
440
470
500
530
560
589
107
81
69
27
332
290
122
93
135
163
177
149
205 220
20
50
80
110
140
170
200
230
260
Hit#:2 Entry:120390 Library:WILEY7.LIB
SI:76 Formula:C15 H24 O CAS:0-00-0 MolWeight:220 RetIndex:0
CompName:DIEPI-.ALPHA.-CEDRENEPOXIDE $$
100
41
43
149
69
27
81
93
107 121
177
135
220
163
205
20
50
80
110
140
170
200
230
260
Hit#:3 Entry:120556 Library:WILEY7.LIB
SI:76 Formula:C15 H24 O CAS:0-00-0 MolWeight:220 RetIndex:0
CompName:ISOAROMADENDRENEPOXID $$
100
41
43
27
67
81 93 107
121 135 149
162 177
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
Hit#:4 Entry:186151 Library:WILEY7.LIB
SI:76 Formula:C16 H20 O4 CAS:19892-19-4 MolWeight:276 RetIndex:0
CompName:5-Benzofuranacetic acid, 6-ethenyl-2,4,5,6,7,7a-hexahydro-3,6-dimethyl-.alpha.-methylene-2-oxo-, methyl ester (CAS) Deoxysericealactone $$ Sericealactone, deoxy- $$ 5-Benzofuranacetic a
100
43
91
41
Me H2 C CH
77
105
67
27
121
133
148
159
176
Me OC(O) C
Me
H2C
20
50
80
110
140
170
200
230
260
290
320
350
380
410
440
470
500
530
560
Hit#:5 Entry:121057 Library:WILEY7.LIB
SI:75 Formula:C15 H24 O CAS:1139-30-6 MolWeight:220 RetIndex:0
CompName:(-)-Caryophyllene oxide $$ (-)-5-Oxatricyclo[8.2.0.0(4,6)]dodecane,,12-trimethyl-9-methylene-, [1R-(1R*,4R*,6R*,10S*)]- (CAS) (-)-.beta.-Caryophyllene epoxide $$ Caryophyllene oxide $$
100
41
Me Me
79
Me
93
39
69
109
O
121
135 149 161
177
20
50
80
110
140
170
H2 C
200
230
260
290
320
350
380
410
440
470
500
530
560