A15

9/15/2023 4:25:51 PM
C:\Users\User\Desktop\Juliet-Mary\REGALIAS GORGOJOS\7-09-2023 DB5\A15.qgd
Chromatogram (All TIC)
30.511
20,407,595
26.519
38.111
29.250
40.072
41.622
40.980
42.417
21.344 21.258
22.024
34.367
34.124
27.625
22.944
35.970
46.128
27.192
19.182
45.196
23.998
17.256
23.626
39.842
18.897
44.918
18.468
29.024
43.903
48.093
36.441
28.490
33.625
42.556
47.381
27.091
32.156
28.575
26.944
28.344
32.981
47.948
21.444
26.300
19.437
47.579
46.000
27.393
47.060
46.830
TIC*1.00
20.0 30.0 40.0 50.0 60.0 70.0 80.0

min
Peak Report TIC

Peak# R.Time I.Time F.Time Area Area% Height Height% A/H Mark Name
1 17.256 17.195 17.325 2974379 0.49 1034540 1.02 2.88 .alpha.-Pinene
2 18.468 18.410 18.540 1441204 0.24 464962 0.46 3.10 Cyclopentane, 1-acetyl-1,2-epoxy-
3 18.897 18.840 18.965 1820008 0.30 648834 0.64 2.81 Bicyclo[3.1.0]hexane, 4-methylene-1-(1-methylethyl)-
4 19.182 19.115 19.255 3783087 0.62 1267758 1.25 2.98 Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)-
5 19.437 19.390 19.490 519032 0.09 194048 0.19 2.67 .beta.-Myrcene
6 21.258 21.185 21.310 8555327 1.40 2789271 2.76 3.07 D-Limonene
7 21.344 21.310 21.400 994097 0.16 321377 0.32 3.09 V trans-.beta.-Ocimene
8 21.444 21.400 21.505 642586 0.11 223577 0.22 2.87 V Eucalyptol
9 22.024 21.955 22.105 6131778 1.00 2194407 2.17 2.79 7-Octen-4-one, 2,6-dimethyl-
10 22.944 22.870 23.015 5122825 0.84 1716636 1.70 2.98 Cyclohexene, 4-methyl-1-(1-methylethenyl)-
11 23.626 23.515 23.700 3328417 0.55 832776 0.82 4.00 Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-
12 23.998 23.930 24.075 3452702 0.57 1079194 1.07 3.20 Linalool
13 26.300 26.245 26.350 830088 0.14 188028 0.19 4.41 trans-Verbenol
14 26.519 26.350 26.630 111076852 18.20 15804612 15.64 7.03 V 1-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-
15 26.944 26.880 27.020 870829 0.14 260365 0.26 3.34 Isopulegol
16 27.091 27.020 27.130 984252 0.16 298555 0.30 3.30 Benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl-
17 27.192 27.130 27.275 4398344 0.72 1307280 1.29 3.36 V Cyclohexanone, 5-methyl-2-(1-methylethyl)-, cis-
18 27.393 27.340 27.465 479667 0.08 145042 0.14 3.31 Cyclohexanol, 5-methyl-2-(1-methylethenyl)-
19 27.625 27.520 27.715 7890356 1.29 1893717 1.87 4.17 Cyclohexanone, 5-methyl-2-(1-methylethenyl)-, trans-
20 28.344 28.280 28.395 741069 0.12 206279 0.20 3.59 (+)-Isomenthol
21 28.490 28.395 28.535 1525331 0.25 351933 0.35 4.33 V .alpha.-Terpineol
22 28.575 28.535 28.650 808539 0.13 239545 0.24 3.38 V (-)-Myrtenol
23 29.024 28.945 29.095 1641939 0.27 455352 0.45 3.61 1(2H)-Naphthalenone, 3,4,5,6,7,8-hexahydro-
24 29.250 29.095 29.345 36229862 5.93 8199441 8.11 4.42 V Cyclohexanol, 1-(1-hexenyl)-, (E)-
25 30.511 30.225 30.690 222896102 36.51 18455209 18.26 12.08 Cyclohexanone, 5-methyl-2-(1-methylethylidene)-
26 32.156 32.020 32.230 989407 0.16 282151 0.28 3.51 (1S,3S,5S)-1-Isopropyl-4-methylenebicyclo[3.1.0]hexan-3-yl ac
27 32.981 32.920 33.030 763794 0.13 234805 0.23 3.25 (-)-8-p-Menthen-2-yl, acetate, trans
28 33.625 33.530 33.720 1313882 0.22 377881 0.37 3.48 Myrtenyl acetate
29 34.124 34.020 34.280 7332125 1.20 2027436 2.01 3.62 trans-Pinocarvyl acetate
30 34.367 34.280 34.460 7940777 1.30 2174505 2.15 3.65 V 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethylidene)-
31 35.970 35.870 36.080 5811220 0.95 1579714 1.56 3.68 .alfa.-Copaene
32 36.441 36.290 36.530 2375672 0.39 398316 0.39 5.96 Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S
33 38.111 37.980 38.360 50780491 8.32 10067645 9.96 5.04 Caryophyllene
34 39.842 39.720 39.950 3394356 0.56 791374 0.78 4.29 Humulene
35 40.072 39.950 40.300 33869994 5.55 7177025 7.10 4.72 Alloaromadendrene
36 40.980 40.870 41.190 14421541 2.36 3324027 3.29 4.34 Germacrene D
37 41.622 41.450 41.800 16974985 2.78 3769204 3.73 4.50 (1S,2E,6E,10R)-3,7,11,11-Tetramethylbicyclo[8.1.0]undeca-2,6
38 42.417 42.290 42.500 12759196 2.09 3196677 3.16 3.99 1-Isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene
39 42.556 42.500 42.680 1530087 0.25 346637 0.34 4.41 V Cycloheptane, 4-methylene-1-methyl-2-(2-methyl-1-propen-1-yl
40 43.903 43.810 44.060 1904676 0.31 464317 0.46 4.10 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (E)-
41 44.918 44.790 45.050 2815815 0.46 541927 0.54 5.20 1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-meth
42 45.196 45.050 45.410 5100291 0.84 1046792 1.04 4.87 V Caryophyllene oxide
43 46.000 45.910 46.060 590058 0.10 144567 0.14 4.08 Ledol
44 46.128 46.060 46.290 5283924 0.87 1369634 1.36 3.86 V 4,7-Dimethoxy-5-[prop-1-en-1-yl]-2H-1,3-benzodioxole
45 46.830 46.770 47.020 527319 0.09 100156 0.10 5.26 (-)-Spathulenol
46 47.060 47.020 47.330 891048 0.15 107855 0.11 8.26 V Caryophylla-4(12),8(13)-dien-5.alpha.-ol
47 47.381 47.330 47.520 1331012 0.22 306064 0.30 4.35 V Ylangenol
48 47.579 47.520 47.660 511223 0.08 141191 0.14 3.62 .alpha.-Cadinol
49 47.948 47.890 48.010 570908 0.09 166665 0.16 3.43 Apiol
50 48.093 48.010 48.200 1547161 0.25 364767 0.36 4.24 V geranyl-.alpha.-terpinene
610469634 100.00 101074070 100.00
Library
1 / 51
9/15/2023 4:25:51 PM
<< Target >>

Line#:1 R.Time:17.255(Scan#:1052) MassPeaks:333
RawMode:Averaged 17.250-17.260(1051-1053) BasePeak:93.05(165375)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 93
80
60
40 77
20 41
53 67 105 121
30 136 154 168 187 203 233 250 265 290302 331343355 369 387399 417 433 451 475 498 526 550 571 585
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:6850 Library:NIST14s.lib
SI:95 Formula:C10H16 CAS:80-56-8 MolWeight:136 RetIndex:948
CompName:.alpha.-Pinene $$ Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl- $$ 2-Pinene $$ 2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene $$ Pinene, .alpha. $$ 2,6,6-Trimethylbicyclo(3.1.1)-2-hept-2-ene $$
100 93
80
60
40 77
41
20 27 105 121 136
43 53 65
30 8996 119
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:trans-.beta.-Ocimene $$ 1,3,6-Octatriene, 3,7-dimethyl-, (E)- $$ .beta.-trans-Ocimene $$ trans-3,7-Dimethyl-1,3,6-Octatriene $$ Ocimene, trans-.beta.- $$ (E)-Ocimene $$ trans-Ocimen
100 93
80
60
40 79
39 53
20 67
105
15 26 89 103 115 136
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:10017 Library:NIST14.lib
CompName:.alpha.-Pinene $$ Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl- $$ 2-Pinene $$ 2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene $$ Pinene, .alpha. $$ 2,6,6-Trimethylbicyclo(3.1.1)-2-hept-2-ene $$
100 93
80
60
40 39 77
27
20 53 67 121 136
15
69 89 103 115
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:(1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene $$ 1R-.alpha.-Pinene $$ Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R)- $$ 2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene-, (1R,5R)- $$ d-.alp
100 93
80
60
91
40 41 77
20 53 121 136
50 62 81 103 115
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Tricyclo[2.2.1.0(2,6)]heptane, 1,3,3-trimethyl- $$ Cyclofenchene $$ Tricyclo[2.2.1.02,6]heptane, 1,3,3-trimethyl- $$
100 93
80
60
40
39 79
20 27 105
121
136
51 65 81 95
15 38
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
2 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 43 83
80
60
40 41
20 58 84
30 105 134 149 179191 207 229241 255267 281 307 329 342 358 371 387 401 415 442 459 478 492 509 522 543 561 582594
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
SI:88 Formula:C7H10O2 CAS:15121-02-5 MolWeight:126 RetIndex:920
CompName:Cyclopentane, 1-acetyl-1,2-epoxy- $$ 1-(6-Oxabicyclo[3.1.0]hex-1-yl)ethanone # $$
100 43
55
80 O
83
60
40 O
126
20 27 39
51 63 71 82 93 111 123
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
SI:88 Formula:C6H10O CAS:141-79-7 MolWeight:98 RetIndex:739
CompName:3-Penten-2-one, 4-methyl- $$ Acetone, isopropylidene- $$ Isobutenyl methyl ketone $$ Isopropylideneacetone $$ Mesityl oxide $$ Methyl isobutenyl ketone $$ Methyl 2-methyl-1-prop
100 55 83
80 43
60
29
O
40 39 98
20
2531 5056 65 7986 95
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:2-Pentene, 2,4-dimethyl- $$ 2,4-Dimethyl-2-pentene $$ (CH3)2CHCH=C(CH3)2 $$
100 55 83
80
60
41
40 98
43
20 27
59 67
15 26 36 51 81 96
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:3-Hexen-2-one $$ 1-Butenyl methyl ketone $$ Methyl 1-butenyl ketone $$ Hex-3-en-2-one $$
100 83
80 55
60
43 O
40 29
39 98
20
2631 50 62 7179 99
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:2-Pentanone, 3-methylene- $$ 3-Buten-2-one, 3-ethyl- $$ 3-Ethyl-3-buten-2-one # $$ 3-Methylene-2-pentanone $$
100 43 55
80
60
40
83 O
27
39 98
20 15
18 31 5056 70 79
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
3 / 51
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<< Target >>

100 93
80
60 77
40
41
20 53 69 136
30 107 121 155 170 192 221 246 265 284 302 328 341 357 376 394 414426 447 464 483 511 541 557 586
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:Bicyclo[3.1.0]hexane, 4-methylene-1-(1-methylethyl)- $$ 1-Isopropyl-4-methylenebicyclo[3.1.0]hexane $$ 4(10)-Thujene $$ Sabinen $$ Sabinene $$ (+)-Sabinene $$ THUJENE, 4(10
100 93
80
60
77
40 79
20 41 136
65 121
27 43 53 8996 108 138
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
100 93
80
60
40 41 77
27 79
20 43 51
65 136
32 89 105 119
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:Cyclohexane, 1-methylene-4-(1-methylethenyl)- $$ p-Mentha-1(7),8-diene $$ .psi.-Limonene $$ Pseudolimonen $$ Pseudolimonene $$ 1(7), 8-p-Menthadiene $$ 1-Isopropenyl-4-meth
100 93
80
60
40
77
136
20 41 53
65 107
27 43 8996 119 138
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:.beta.-Phellandrene $$ Cyclohexene, 3-methylene-6-(1-methylethyl)- $$ p-Mentha-1(7),2-diene $$ Phellandrene, .beta. $$ 3-Isopropyl-6-methylene-1-cyclohexene # $$ beta-Phellandren
100 93
80
60
40 77
20 41 79
27 136
53 65 89 105 119
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
100 93
80
60
40 41 77
27 39
20 136
29 51 63
73 95 105 118
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
4 / 51
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<< Target >>

100 93
80
60
41
40 69 79
20 53 121
107 136
30 165 180 202214 227 245 275287 318 341 356368 382 404 428 455 475 503 526 545 565 587
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)- $$ 2(10)-Pinene, (1S,5S)-(-)- $$ (-)-.beta.-Pinene $$ (-)-2(10)-Pinene $$ L-.beta.-Pinene $$ (1S)-(-)-.beta.-Pinene $$ laevo-.bet
100 93
80
60
41
40 69 79
39
20 27 53 67 121 136
82 107
15
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:.beta.-Pinene $$ Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene- $$ 2(10)-Pinene $$ Nopinen $$ Nopinene $$ Pseudopinen $$ Pseudopinene $$ Terebenthene $$ 6,6-Dimethyl-2-met
100 93
80
41
60
40 39 69
77
27
20 53 67 121
15 82 102 115 128
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 93
80
60 41
69
40
27 77
20 53 136
43 65
32 89 102 119
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 93
80
60 41
40 69
39 77
20 27
53 67 121 136
15 25 82 96 107
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)- $$ 2(10)-Pinene, (1S,5S)-(-)- $$ (-)-.beta.-Pinene $$ (-)-2(10)-Pinene $$ L-.beta.-Pinene $$ (1S)-(-)-.beta.-Pinene $$ laevo-.bet
100 93
80
60
41 69
40
79
20 39 121 136
53 67
15 26 89 103115
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
5 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 41 93
80 69
60
40
79
20 53
31 107 121 136148 161173 187 208 222 251 264 277 296 310 328 343 356 378 403 418430 443 469 483 503 531 559 574 598
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:.beta.-Myrcene $$ 1,6-Octadiene, 7-methyl-3-methylene- $$ Myrcene $$ 7-Methyl-3-methylene-1,6-octadiene $$ 7-Methyl-3-methyleneoctadiene-(1,6) $$ 2-Methyl-6-methylene-2,7-oc
100 41 93
80 69
60
40
39 79
20 27 53 67
15 26 83 103 117 131
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 69 93
80 41
60
40
20 77
53
27 42 65 107 121 136
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 41 93
80 69
60
40
27
20 53 77
136
43 65 107
32 8996 119 138
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 41
93
69
80
60
40
27
20 53 79
29 43
15 56 70 89 103115 136
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 93
80
41
60
69
40 27 39
79
20 29 121 136
51
63 75 83 95 105
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
6 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 67
80 93
60
79
40
39 53 107 121
20 136
30 167 183 205 222 251 266 283 295 315 332 351 364 391 412 435 452 473 502 520 541 561 580 594
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:D-Limonene $$ Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (R)- $$ p-Mentha-1,8-diene, (R)-(+)- $$ (+)-(R)-Limonene $$ (+)-(4R)-Limonene $$ (+)-p-Mentha-1,8-diene $$ (+)-Limo
100 68
80 93
60
79
40
53 107 121 136
41
20 80
51 105
132
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:Cyclobutane, 1,2-bis(1-methylethenyl)-, trans- $$ 1,2-Diisopropenylcyclobutane # $$
100 68 93
80
60
39
40
27 53 107 121
41 79
20 51
29 63 74 87 95105 117 136
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- $$ p-Mentha-1,8-diene, (S)-(-)- $$ (-)-Limonene $$ L-Limonene $$ Limonene $$ 4-Isopropenyl-1-methyl-1-cyclohexene # $$
100 68
80
60 93
40 39
53 79
27
20 55 65
77 107
43 119 136
30 89
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:Limonene $$ Cyclohexene, 1-methyl-4-(1-methylethenyl)- $$ p-Mentha-1,8-diene $$ .alpha.-Limonene $$ Cajeputen $$ Cajeputene $$ Cinen $$ Cinene $$ Dipenten $$ Dipentene $$ E
100 68
80
39 93
60
41
27 53 79
40
29 107 121 136
20 51
95 105
63
75 87 115 127137
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:D-Limonene $$ Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (R)- $$ p-Mentha-1,8-diene, (R)-(+)- $$ (+)-(R)-Limonene $$ (+)-(4R)-Limonene $$ (+)-p-Mentha-1,8-diene $$ (+)-Limo
100 68
80
60 93
40
39 53 79 94
20 107 121 136
51 63 71 82 105115124
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
7 / 51
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<< Target >>

100 93
80
60
77
40
41
20 53 65
105
30 121 136 153 173 189 207 226 249 266 291 305 318330 352 365 384 399 416 432 449 468 500 530 549 570 586 600
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:trans-.beta.-Ocimene $$ 1,3,6-Octatriene, 3,7-dimethyl-, (E)- $$ .beta.-trans-Ocimene $$ trans-3,7-Dimethyl-1,3,6-Octatriene $$ Ocimene, trans-.beta.- $$ (E)-Ocimene $$ trans-Ocimen
100 93
80
60
40 79
39 53
20 67
105
15 26 89 103 115 136
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:.alpha.-Phellandrene $$ 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)- $$ .alpha.-Fellandrene $$ p-Mentha-1,5-diene $$ 5-Isopropyl-2-methyl-1,3-cyclohexadiene $$ 2-methyl-5-(1-m
100 93
80
60
77
40
20 27 39 51 65 136
15 26 75 89 103115
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)- $$ 3-Thujene $$ .alpha.-Thujene $$ Thujene, .alpha.- $$ Origanene $$ 5-Isopropyl-2-methylbicyclo[3.1.0]hex-2-ene # $$ 2-Methy
100 93
80
60
77
40
20 41 79 136
27 51 65 89 105 119
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)- $$ 3-Thujene $$ .alpha.-Thujene $$ Thujene, .alpha.- $$ Origanene $$ 5-Isopropyl-2-methylbicyclo[3.1.0]hex-2-ene # $$ 2-Methy
100 93
80
60
77
40
20 27 41 79
51 65 136
89 105 119
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:.gamma.-Terpinene $$ 1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- $$ .gamma.-Terpinen $$ p-Mentha-1,4-diene $$ Crithmene $$ Moslene $$ 1-methyl-4-(1-methylethyl)-1,4-cycl
100 93
80
60
77
40 121 136
79
20 27
41
51 65 105
89 101
108 138
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
8 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 43
80 81
60
69 108
84
40 41 139
154
20 125
30 140 177 193 218 246 268280 303 325 347 367 388400 413 433 449 463 488 514 541 564 583 596
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Eucalyptol $$ Cineole $$ 2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl- $$ p-Menthane, 1,8-epoxy- $$ p-Cineole $$ Cajeputol $$ Cucalyptol $$ Eucapur $$ Terpan $$ Zineol $$ 1,3,3-Tr
100 43
80 81
60 93 108 O
69
55
40 41 139
154
20 59
27 91 155
105 119
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 43
80
81
60 71 84
108 O
55 93
40 41 139 154
20 27
58
98 121 136
15
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 43
80
81
60 71 108 O
84
69 154
40 55 96 139
41
20 58
27 125 140
98 112 153
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 43
80
81
60 108 O
68 84 93
40 55 139 154
39
20 53
97 121 136
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 43
80
60 81 93 O
71
40 84 108
41 55
154
139
20 27 59
121 136
15 105
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
9 / 51
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<< Target >>

100 57 85
80
60 41
55
40
20
30 70 98 112 139 154 169 189 207 230 245 269 284 303 327 341 357 387 404 432 456 477 493 516 542 568 589
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:7-Octen-4-one, 2,6-dimethyl- $$ 2,6-Dimethyloct-7-en-4-one $$ Dihydrotagetone $$
100 57 85
80
69
60
41 55
40 O
97
20 43
27 70 83 98 139 154
111
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
SI:85 Formula:C8H12N2O CAS:69393-13-1 MolWeight:152 RetIndex:1249
CompName:1H-Imidazole, 1-(1-oxopentyl)- $$ 1-Valerylimidazole $$ Imidazole, 1-valeryl- $$ 1-Pentanoyl-1H-imidazole # $$
100 57
69
80
41 85
60 O
29
40 N
55
20 27 95 152 N
42 70 81 123
110 137
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Pentanoic acid, 4-methyl-2-oxo-, methyl ester $$ Valeric acid, 4-methyl-2-oxo-, methyl ester $$ Methyl 4-methyl-2-oxopentanoate # $$
100 57
80 85 O
41
60
O
40 29
20 15
39 O
55 69 102 129
144
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Pentanoic acid, 2-propenyl ester $$ Allyl pentanoate # $$
100 8557
80
41
60 O
40 O
29
20 100
58 86 99 113
31 45 67 127 142
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
SI:85 Formula:C8H13F3O2 CAS:116465-21-5 MolWeight:198 RetIndex:0
CompName:1,2,2-Trimethylpropyl trifluoroacetate $$ Acetic acid, 2,2,2-trifluoro-, 1,2,2-trimethylpropyl ester $$ Acetic acid, trifluoro-, 1,2,2-trimethylpropyl ester $$
100 57
69 F
80
60 O
41 F
40 F
85
20 O
15 27 53 97 113 125 141 183
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
10 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 79
80
60 93
40 107
121 136
20 39
53 67
30 140 154 169 186 207 222 244 259 279 297 313325 342 355 390 413 440 457 489 509 524 540 558 582
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:Cyclohexene, 4-methyl-1-(1-methylethenyl)- $$ p-Mentha-3,8-diene $$ 3,8-p-Menthadiene $$ 1-Isopropenyl-4-methyl-1-cyclohexene # $$ 1-Isopropenyl-4-methyl-cyclohexene $$ 4-M
100 79
80
60
93
107
40 77 121 136
39
20 53 65 108
27 43 8996 119 138
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:Cyclohexene, 4-methyl-1-(1-methylethenyl)- $$ p-Mentha-3,8-diene $$ 3,8-p-Menthadiene $$ 1-Isopropenyl-4-methyl-1-cyclohexene # $$ 1-Isopropenyl-4-methyl-cyclohexene $$ 4-M
100 79
80
60 93 107
40 136
121
39
27 77
20 53
43 65
32 109
89 102 128139
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:Spiro[2.4]heptane, 1,5-dimethyl-6-methylene- $$ 1,5-Dimethyl-6-methylenespiro[2.4]heptane # $$
100 79 93
80
60
40 107
77
67 121
20 41
53
29 43 65
90 100109 131
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:2-Methyl-1-nonene-3-yne $$ 2-Methyl-1-nonen-3-yne $$ 1-Nonen-3-yne, 2-methyl- $$
100 79
80
60
77 93
40 29 41 121
107 136
20 43 53 66
57 109
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:4-Decen-6-yne, (Z)- $$ (4Z)-4-Decen-6-yne $$ (Z)-4-decen-6-yne $$
100 79
80
60
40 91
39 65 136
20 27 55 107
43 62 75 89 103 115 128
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
11 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 79
80
60
41 59
40 43 93
20 121
109 136
30 162 177 206 236 250 277 302 327 340 355 377 401 415 440 457 475487 505 526 546 569 591
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl- $$ 2-Pinen-10-ol $$ Myrtenol $$ (6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methanol # $$ 6,6-dimethyl-2-oxymethlybicyclo[1.1.3]
100 79
80
60
40 41 91
27 108
43 77 93
20 29 55 67
105
119 HO
63 133 152
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
100 79
80
60 91
41 108
40
27 43 119
20 53 67 HO
152
59 70 85 103 117 131
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:5-Tetradecen-3-yne, (Z)- $$ (5Z)-5-Tetradecen-3-yne # $$
100 79
80
60
41
40 29
55 67 77 93
27
20 107
108 121 135 149 163 192
177
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:(Z)-2,2-Dimethyl-3-(3-methylpenta-2,4-dien-1-yl)oxirane $$ Oxirane, 2,2-dimethyl-3-[(2Z)-3-methyl-2,4-pentadien-1-yl]- $$ 1,3-Octadiene, 6,7-epoxy-3,7-dimethyl-, (Z)- $$ Oxirane, 2
100 79
80
60
40 77
20
41
53 O
93
27 55 65
84 96 107 119 134
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:Myroxide $$ (E)-2,2-Dimethyl-3-(3-methylpenta-2,4-dien-1-yl)oxirane $$ (E)-Myroxide $$ (E)-.beta.-Ocimene epoxide $$ Oxirane, 2,2-dimethyl-3-(3-methyl-2,4-pentadienyl)-, (E)- $$
100 79
80
60
40
O
20 41 53 93
27 67 109 121 134 152
57 84
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
12 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 71
80 93
41
60
69
40
121
20 105
30 136 154 169 185 216 233 249 267 280 303 319 344 372 399 433 446 461473 496 514 544 563 581593
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Linalool $$ 1,6-Octadien-3-ol, 3,7-dimethyl- $$ .beta.-Linalool $$ Linalol $$ Linalyl alcohol $$ 2,6-Dimethyl-2,7-octadien-6-ol $$ allo-Ocimenol $$ 2,6-Dimethyl-2,7-octadiene-6-ol $$
100 71
80 93
55 OH
60 41
40 80
121
20 83
27
59 105 122 136
15 154
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 71
80
41 OH
93
60
55
40
27 80 121
20 67
45 91 107 127 140 154
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 71
80
41 93 OH
60
55 69
40
80
20 27 39 83 121
96 107
51 59 127 139
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 71
80
41 93 OH
60
55
40
80
20 27 121
53 72 84 96 107
31 65 119127 139
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Cyclohexanol, 1-methyl-4-(1-methylethenyl)- $$ p-Menth-8-en-1-ol $$ .beta.-Terpineol $$ t-Menth-1-en-8-ol $$ .beta.-Terpinol $$ 4-Isopropenyl-1-methylcyclohexanol # $$ 1-methyl-4
100 71
OH
80 43
60 93
136
40 68
107 121
55
39 53 81
20 27 111
15 26 97 126 139
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
13 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 109
80 91
81
60 41
40 55 67
119
20 137
30 150 169 188 208 221 234 253 273285 304 331 352 375 394 408 427 445 463 485 509 525 544 571 590
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:trans-Verbenol $$ Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-, (1.alpha.,2.alpha.,5.alpha.)- $$ 2-Pinen-4-ol, trans- $$ 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-ol # $$
100 109
80
60 81 91
41 67 79
40 55 95 119
107
20 29 51
65
123
137 OH
38 150
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:cis-Verbenol $$ Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-, (1.alpha.,2.beta.,5.alpha.)- $$ Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, (1R,2R,5R)-rel- $$ (.+/-.)-cis-Verbenol $$ ci
100 94 109
80
OH
59
41
60 81
55 67
119
40 43
83
20 27 105 137
123
15 138150
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-, [1S-(1.alpha.,2.beta.,5.alpha.)]- $$ (S)-cis-Verbenol $$ (-)-(Z)-Verbenol $$ Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, (1S,2S,5S)- $$
100 94 109
80
41 79
60 59
69
43 55
40 27
83 119
20 105
123
137 OH
15 138150
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Isoneral $$ (Z)-3,7-dimethylocta-3,6-dienal $$ 3,6-Octadienal, 3,7-dimethyl-, (Z)- $$
100 67 109
81 94
80
41
60
40 43 55 O
119
20 27 59 70
84 103 117127 152
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Verbenol $$ Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl- $$ Berbenol $$ 2-Pinen-4-ol $$ 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-ol $$
100 41 109
80 94 OH
60 81
27 43 55 69
40
84 119
20 103
134
31 72 117 143
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
14 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 43
80
60 139
40 59
81 121
95
20 41
107 140 154
30 176 197 218 231 246 275 300 314 339 363 379 405417 432 447 467 483 497509 533 558 571 596
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:1-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-
100 139
43
80
60
40 59 121
81
41 55 95
20 67 140 154 OH
27 85 98
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:3,6-Heptadien-2-ol, 2,5,5-trimethyl-, (E)-
100 43
80 OH
60 59
40
93 121 139
20 55 67 79
27 105
51 122
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:3,6-Heptadien-2-ol, 2,5,5-trimethyl-, (E)-
100 43
80 OH
60 59
40
41 81
55 67 139
20 96
121
27 105
15 136 154
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:3,3,6-Trimethyl-1,4-heptadien-6-ol $$ Yomogi alcohol $$ (3E)-2,5,5-Trimethyl-3,6-heptadien-2-ol # $$
100 43
80 OH
60 59
40 85
139
96
20 55 67 121
79
91
45 103 154
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:3,7-Octadien-2-ol, 2,6-dimethyl- $$ (3E)-2,6-Dimethyl-3,7-octadien-2-ol # $$
100 43
80
60 OH
40 55
81
20 29 39
96
53
65 7785 107 119 136
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
15 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 41 55 67
80
71 95 121
60
40 111
139
20
30 140 154 175 205 221 235 261 283 299 321 346 375 399 431 449 468 481 511 526 540 556 575 588
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Isopulegol $$ Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, [1R-(1.alpha.,2.beta.,5.alpha.)]- $$ p-Menth-8-en-3-ol, (1R,3R,4S)-(-)- $$ (-)-Isopulegol $$ L-isopulegol $$ 2-Isopropenyl-
100 41 67
80 55 81
93 HO
60 39 121
79
40
29 57 97 111 136
20 154
14 119
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Cyclohexanol, 5-methyl-2-(1-methylethenyl)- $$ p-Menth-8-en-3-ol $$ Isopregol $$ 1-Methyl-4-isopropenylcyclohexan-3-ol $$ 8(9)-p-Menthen-3-ol $$ 2-Isopropenyl-5-methylcyclohe
100 41 67
81
80 55 71
HO
60 56 84 93 121
40 43 111
27 136
98 112
20
126 140152
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:(1R,2R,5S)-5-Methyl-2-(prop-1-en-2-yl)cyclohexanol $$ Neoisopulegol $$ neo-iso-Pulegol $$
100 69 121
41
80 55
81 95
60 56
111
43 136
40 OH
98 112
20 27 154
126 140
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:(1R,2R,5R)-5-Methyl-2-(prop-1-en-2-yl)cyclohexanol $$ Neoisoisopulegol $$ Neo-isoisopulegol $$
100 67
121
80 41 55 71 81
60 93
111
40 136 OH
43 57
85
20 27 154
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 41
71
81
80 55
HO
60 95 121
39
40 27 97
111 136
79
139
20 57 154
15 113 152
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
16 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 108
80
60
40 79
150
20 91
39 51 65 121 135
31 161 177 206218 248 265 291 312 327 347 366 384 405 424 440452 470 490 517 530 549 568580
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl- $$ p-Mentha-3,8-diene, 3,9-epoxy- $$ Menthofuran $$ Menthofurane $$ 3,9-Epoxy-p-mentha-3,8-diene $$ 3,6-Dimethyl-4,5,6,7-tetrahyd
100 108
80
60
40
79 150
20 91 105
O
27 37 51 65 80 121 135 149
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 108
80
60
40
150
20 79
109
O
27 38 51 65 91 121 135 151
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 108
80
60
40
20 79 150 O
27 39 53 71 89 103 117 135
62
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 108
80
60
40 150
20 39
27 41
51
79 O
15 63 81 91 103 117 135
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:4-Methylphenol, n-propyl ether
100 108
80
60
40 150 O
20 77
27 41 51 65
15 89 105 121 133
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
17 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 69 112
80 41
55
60 97
70 139
40 111
154
20
30 140 173 190 204 224 251 265 280 304 325 342 365 378 402 415 430 451 467 483 517 541 554 569 589
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Cyclohexanone, 5-methyl-2-(1-methylethyl)-, cis- $$ p-Menthan-3-one, cis- $$ cis-p-Menthan-3-one $$ Isomenthone $$ p-Menthan-3-one, (Z)- $$ Cyclohexanone, 5-methyl-2-(1-methy
100 41 69 112
80
55 O
60
70
40 43 56 139
27 83 97 111 154
20 29
98
125 140
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:l-Menthone $$ Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S-trans)- $$ Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S,5R)- $$ trans-(-)-p-Menthan-3-one $$ (2S,5R)-2-Isopropy
100 112
80 69 O
41
55
60
139
40 97 154
43 83
20 27
57 71 85 113 125 155
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R-cis)- $$ p-Menthan-3-one, (1R,4R)-(+)- $$ (+)-Isomenthone $$ D-isomenthone $$ D-menthone $$ 2-Isopropyl-5-methylcyclohexanon
100 112
80 69
41 O
60 55
40 97 139
39 84 95 154
20
53 67 81 110121
136
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R-cis)- $$ p-Menthan-3-one, (1R,4R)-(+)- $$ (+)-Isomenthone $$ D-isomenthone $$ D-menthone $$ 2-Isopropyl-5-methylcyclohexanon
100 112
80 41 69
O
60 55
40 43
27 139
83 97 154
20
15 65 81 98 121
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans- $$ (2R,5S)-2-Isopropyl-5-methylcyclohexanone $$ p-Menthan-3-one, trans- $$ p-Menthone $$ trans-p-Menthan-3-one $$ trans-Men
100 41 69 112
80 55
O
60 27 43
139
40
29 83 97 154
20 57 71 113 125
85 99 155
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
18 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 41 67 81
80 55
93
60 121
40 111
20 139
30 143 174 194 207 228 248 268 291 306 329341 368 385 407 430 456468 493 517 545 571583 598
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 41 67
81
80 55 71
HO
60 56 84 93 121
40 43 111
27 136
98 112
20
126 140152
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 41 67
80 55 81
93 HO
60 39 121
79
40
29 57 97 111 136
20 154
14 119
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 41
80 55 69 81
HO
60
56
43 84 93 121
40 136
27 111
20 98 112
126 140152
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 41
55 69
80 67 81
HO
60
95 121
40 79
57 109 136
20 92
45 99 123 154
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 41
71
81
80 55
HO
60 95 121
39
40 27 97
111 136
79
139
20 57 154
15 113 152
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
19 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 67 93 109
80 123
60 41
40 81
53
20 137
152
30 178 196 223 240 255 273 293 309 326 339 354 369 386 401 415 430 447 469 486 498 529 556 580
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:Cyclohexanone, 5-methyl-2-(1-methylethenyl)-, trans- $$ p-Menth-8-en-3-one, trans- $$ trans-Isopulegone $$ Isopulegon $$ Isopulegone $$ 2-Isopropenyl-5-methylcyclohexanone # $$
100 67 109
41 93
80 123
O
60
81
40 27
53
29 137 152
20 43
56 70
84 98 112 154
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:cis-Dihydrocarvone $$ (2S,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexanone $$ Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5S)-rel- $$ Cyclohexanone, 2-methyl-5-(1-methyleth
100 67
80
60
95 O
41
40 82 109
55
20 137 152
27 42 56 70 84
98 118 154
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:Cyclohexanone, 2-methyl-5-(1-methylethenyl)- $$ p-Menth-8-en-2-one $$ Dihydrocarvone $$ (+)-Dihydrocarvone $$ D-Dihydrocarvone $$ 2-Methyl-5-(1-methylethenyl)cyclohexanon
100 67
80
95
60 41
82
40 55
109 O
152
20 27 43 56 70 137
84 98 115 141
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:1,3-Hexadiene, 3-ethyl-2,5-dimethyl- $$ (3E)-3-Ethyl-2,5-dimethyl-1,3-hexadiene # $$
100 67
81 109
80 123
60 41
55
138
43
40
27 95
20 53
65 77
30 84 96 107 119
126
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:3-Decyne $$ 3-C10H18 $$
100 67
80
109
60 41
40 43 55 81
95
27
53
20 65 77 96
30 84 107 123 137
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
20 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 71
80
95
60
41 55 67
40
123
20 109
30 138 152 175 201 223 248 265 278 305 325 345 367 384 399 417 430 447 463 481 506 520 537 557569 583
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:(+)-Isomenthol $$ 2-Isopropyl-5-methylcyclohexanol # $$
100 71
80
81
60 95
41 55
40 67 OH
123
20 27
138
44 85
100 124 141 155
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Cyclohexanol, 1-methyl-4-(1-methylethyl)- $$ 1-Methyl-4-(1-methylethyl)cyclohexanol $$ 4-Isopropyl-1-methylcyclohexanol $$ .gamma.-Terpineol, dihydro- $$ p-Menthan-1-ol $$
100 71
OH
80 81
95
60
41 55
40
123
20 29 109 138
15 45 65 79 93
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.alpha.,5.alpha.)- $$ Menthol, cis-1,3,cis-1,4- $$ Neoisomenthol $$ Isoneomenthol $$ 2-Isopropyl-5-methylcyclohexanol, (1.alph
100 71
80
81 95 HO
60
41 55
40 67 82
96 123 138
20 39 109
53
124 137 156
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:dl-Menthol $$ Menthol $$ Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.beta.,5.alpha.)- $$ Menthol, cis-1,3,trans-1,4- $$ Hexahydrothymol $$ Menthacamphor $$ Menthome
100 71
80 81 95
HO
60
40 41 55 82
43 123
138
20 27
109
15 58 99 121 137 155
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.beta.,5.beta.)- $$ Menthol, trans-1,3,cis-1,4- $$ Isomenthol $$ Isomentol $$ 2-Isopropyl-5-methylcyclohexanol, (1.alpha.,2.beta.,
100 71
80 95
81 HO
60
41 55
40 43 82
123 138
20 109
27 99
15 58 137 154
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
21 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 59
80 93
60 121
43 81
40 136
20 41
30 105 140 167 181 204 235 265 289 302 325 340 362 389 417 432 455 475 489 502 520 540 554 583
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:.alpha.-Terpineol $$ 3-Cyclohexene-1-methanol, .alpha.,.alpha.4-trimethyl- $$ p-Menth-1-en-8-ol $$ Terpineol schlechthin $$ Terpineol, .alpha. $$ .alpha.-Terpinol $$ .alpha.,.alpha.,4-T
100 59
OH
80
93
60 121 136
40 43 81
20 41 55 67
27
88 103115 140 153
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:L-.alpha.-Terpineol $$ 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (S)- $$ p-Menth-1-en-8-ol, (S)-(-)- $$ .alpha.-Terpineol, (-)- $$ (-)-.alpha.-Terpineol $$ 2-(4-Methyl-3-cyc
100 59
OH
80
60 93 121
136
40 81
43
20 92
55 67 77
27 45 105 119 131
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:L-.alpha.-Terpineol $$ 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (S)- $$ p-Menth-1-en-8-ol, (S)-(-)- $$ .alpha.-Terpineol, (-)- $$ (-)-.alpha.-Terpineol $$ 2-(4-Methyl-3-cyc
100 59
OH
80
60 93
121 136
40 43 81
41 55 67
20 77 91
105 117 133 147
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:.alpha.-Terpineol $$ 3-Cyclohexene-1-methanol, .alpha.,.alpha.4-trimethyl- $$ p-Menth-1-en-8-ol $$ Terpineol schlechthin $$ Terpineol, .alpha. $$ .alpha.-Terpinol $$ .alpha.,.alpha.,4-T
100 59
OH
80
93
60 121
136
40 43 81
68
20 55 79
27 39 107 139
15 97 119 154
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Terpineol
100 59
OH
80
60 93
43
40 41 67 81 121
136
20 31 55
15 82 105 122 139 154
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
22 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 79
80
60 91
40
108
41
20 53 65 119
30 135 152 176188 201 219 237 252 272 294 320 341 355 372 404 417 432 456468 481 517 534 559 572 585
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:(-)-Myrtenol $$ Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, (1R)- $$
100 79
OH
80
60 91
40 108
41
20 55 65 105 119
27
15 83 122 135 152
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:1,5-Cyclooctadiene, 3-(1-methyl-2-propenyl)- $$ 3-(1-Methyl-2-propenyl)-1,5-cyclooctadiene # $$
100 79
80
60
91
40
107
20 27 39 67
51 69 115 128 147 162
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:.alpha.-Thujenal $$ 5-Isopropylbicyclo[3.1.0]hex-2-ene-2-carbaldehyde $$ Bicyclo[3.1.0]hex-2-ene-2-carboxaldehyde, 5-(1-methylethyl)- $$ Thuj-3-en-10-al $$
100 79
O
80
60
107
40
20 91
27 38 51 65 81 95
109 121 135 150
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 79
80
60
91
40
41 108
20 27 43 55 67 119 HO
59 70 85 103 117 134 152
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:1,4-Cyclohexadiene-1-methanol, 4-(1-methylethyl)- $$ p-Mentha-1,4-dien-7-ol $$ 1,4-p-Menthadien-7-ol $$ (4-Isopropyl-1,4-cyclohexadien-1-yl)methanol # $$
100 79
80
60
91
40 43
20 81 105 119 134 HO

31 51 65 95 152
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
23 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 79
80
60
135 150
40 39
67 91
107
20 51 122
31 159 178 193 219 240 265 282 295 316 329341353 370 386 411 443 459 475 496 514 538 563 581
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:1(2H)-Naphthalenone, 3,4,5,6,7,8-hexahydro- $$ 3,4,5,6,7,8-Hexahydro-1(2H)-naphthalenone # $$
100 122
79
80 150
60
40 94
39 135
20 27 51 65 107
O
29 42 62 75 89 104 117 132
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:5-Isopropenyl-2-methylcyclopent-1-enecarboxaldehyde $$ 5-Isopropenyl-2-methyl-1-cyclopentene-1-carbaldehyde # $$
100 107
80 79
150
60 91
135
40 39 122
53
20 27 43 65 117 H O
60 71 89 103 132
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S)- $$ Levoverbenone $$ l-Verbenone $$ Verbenone, (L)- $$ 2-Pinen-4-one, (1S,5S)-(-)- $$ (-)-Verbenone $$ (S)-(-)-Verbenone $$ S
100 107
80
91 135
60
80
40 39 150
20 55 67
27 82 122 O
15 63 103 115 137
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:2-Cyclohexen-1-one, 2-(2-methyl-2-propenyl)- $$ 2-(2-Methyl-2-propenyl)-2-cyclohexen-1-one # $$
100 79 150
80
39
60 27
107
40 53 93 135
80 117
20 51 65 O
31 108 136 149
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:(3E,5Z)-1,3,5-Undecatriene $$ 1,3,5-Undecatriene, (E,Z)- $$ 1,3(E),5(Z)-Undecatriene $$ 1,(E)3,(Z)5-Undecatriene $$ 1-(E,Z)-3,5-Undecatriene $$ (3E,5Z)-Undeca-1,3,5-triene $$ (E
100 79
80
60
77
40 91
41 150
20 65
43 53 8996 107 121 135 148
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
24 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 139
83
80
41 55
60 69 93 111
40 112 154
20 140
30 170 193 210 229 255 271 287299 315 330 359 388 418 431 449 466 482 498 516 532 556 573585
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Cyclohexanol, 1-(1-hexenyl)-, (E)- $$ 1-[(1E)-1-Hexenyl]cyclohexanol $$ (E)-1-(1-Hexenyl)cyclohexanol $$
100 55 139
41 83
80 125
60
39 79
40 67
57 95 111 182
20 164 OH
135
149 168 184
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, cis- $$ (1R,4R)-4-Isopropyl-1-methylcyclohex-2-enol $$ 4-Isopropyl-1-methyl-2-cyclohexen-1-ol, cis- $$ cis-2-Cyclohexene-1-ol-1-me
100 43
OH
80 139
111
60 71
79 93
121
40
55 67
20 91
107 154
27 51 125 141
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:5-Caranol, trans,trans-(+)- $$ 4,7,7-Trimethylbicyclo[4.1.0]heptan-2-ol # $$
100 111
55
80
41 OH
93
69 121
60
136
79
40 27 139 154
20 98
59
15 122
152
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, cis- $$ (1R,4R)-4-Isopropyl-1-methylcyclohex-2-enol $$ 4-Isopropyl-1-methyl-2-cyclohexen-1-ol, cis- $$ cis-2-Cyclohexene-1-ol-1-me
100 43
93 OH
80 139
60
69
40 41
71
111121
55 84
20 27 154
29 58
98 112 126 140
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:2-Isopropyl-4-methylhex-2-enal $$ (2E)-2-Isopropyl-4-methyl-2-hexenal # $$
100 41 55 69
80 139
60 154
83
40 97 125 O
111
20 57
71 99 155
113 127 141
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
25 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 67 81
80
60 152
109
40 41
95 137
20 53
124
30 154 170 188 205 220 251 277 291 304 345 360 376 393 406 423435 457 473 492 505 522 540 571 591
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Cyclohexanone, 5-methyl-2-(1-methylethylidene)- $$ p-Menth-4(8)-en-3-one $$ (.+/-.)-Pulegone $$ 2-Isopropylidene-5-methylcyclohexanone $$ 4(8)-p-Menthen-3-one $$ Pulegone $$
100 81
80
67 152 O
60 109
40 41
39 137
20 53 69 95
29
83 97 111 124 139 153
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Pulegone $$ Cyclohexanone, 5-methyl-2-(1-methylethylidene)-, (R)- $$ p-Menth-4(8)-en-3-one, (R)-(+)- $$ (+)-(R)-Pulegone $$ (+)-Pulegone $$ (R)-(+)-Pulegone $$ d-p-Menth-4(8)-
100 81
80 152
67 O
60 109
41
40
137
20 43 53 95
56 70 84 103 117 131 154
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 81 152
80
O
60 67
109
40 41
137
20 27 43 53 95
57 70 84 98 117 146154
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Cyclohexanone, 5-methyl-2-(1-methylethylidene)- $$ p-Menth-4(8)-en-3-one $$ (.+/-.)-Pulegone $$ 2-Isopropylidene-5-methylcyclohexanone $$ 4(8)-p-Menthen-3-one $$ Pulegone $$
100 81
80 67
41 O
60
39 152
109
40 27
53
20 137
15 79 95
56 96 119 135 151
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 67 81
80
41 O
60
40 82 109
27
43 53 152
20 65
95 137
15 105 119 138
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
26 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 91
80
60
40 43
20 41 79 108
31 65 135 150 175 192 207 235 259271 306 330 343355 373 402 421 438 456 483 501 520 538 552 575 598
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:(1S,3S,5S)-1-Isopropyl-4-methylenebicyclo[3.1.0]hexan-3-yl acetate $$ Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, 3-acetate, (1S,3S,5S)- $$ Bicyclo[3.1.0]hexan-3-ol,
100 91
80 H O O
60
40
43
20 108
41 53 65 77 134
27 9097 121
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Sabinyl isobutanoate $$ 1-Isopropyl-4-methylenebicyclo[3.1.0]hexan-3-yl isobutyrate $$ Propanoic acid, 2-methyl-, 4-methylene-1-(1-methylethyl)bicyclo[3.1.0]hex-3-yl ester $$ Isobu
100 91
80 O
60
O
40
43
20 119
27 38 53 65 77 93 108 120 134
152 178
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Myrtenyl acetate $$ 2-Pinen-10-ol, acetate $$ Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, acetate, (1S)- $$ (1S)-6,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-methanol acetate $$ (+
100 91
O
80
60 119 O
40 43
108
20 79 134
39 53 81 103 121 137 152
15 27 63
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 91
O
80
43
60 O
40 119
20 27 39 53 79 108 134
65 95 121 152 166 194
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 91
O
80
60 119 O
40 43
108
20 77 134
27 53 67 95 117 133 152
176
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
27 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 93 107 121
80 79
136
60 43
41
40 67
20
30 153 178 207 230 244 257269 290 305 319 343355367 384 403 430 447 469 482 511 523 537 558 578
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:(-)-8-p-Menthen-2-yl, acetate, trans $$ (-)-Dihydrocarvyl acetate $$ (-)-trans-p-Menth-8-en-2-ol, acetate $$ Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, acetate, [1R-(1.alpha.,2.beta.,5
100 43 O
107 121
80 93
O
136
60
79
40 67
55 81
39
20
29
15 111 140 154 196
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Ethanol, 2-(3,3-dimethylcyclohexylidene)-, (Z)- $$ (Z)-2-(3,3-Dimethylcyclohexylidene)ethanol $$ (2Z)-2-(3,3-Dimethylcyclohexylidene)ethanol $$ cis-3,3-dimethyl-.delta.1-.beta.-cyc
100 79 121 93 OH
80
136
60
41 69 107
40
55 77 91
20 105
50 63 119 154
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Neodihydrocarveol $$ 5-Isopropenyl-2-methylcyclohexanol # $$
100 93 107 121
136
79
80 41
OH
60 55
67
40 108
27
20 29 91
51 154
125 140
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1.alpha.,2.alpha.,5.beta.)- $$ p-Menth-8-en-2-ol, cis-1,2,trans-1,4- $$ Neodihydrocarveol $$ 5-Isopropenyl-2-methylcyclohexanol, (1.alph
100 107 136 121
80 93
79
60 41
40 55 67
HO
20 58 77 91
45 105 119 154
132
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:(-)-8-p-Menthen-2-yl, acetate, trans $$ (-)-Dihydrocarvyl acetate $$ (-)-trans-p-Menth-8-en-2-ol, acetate $$ Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, acetate, [1R-(1.alpha.,2.beta.,5
100 43 O
80 93
107
121
136
O
60
79
40 68
55
20 69
27 111 154
15 139 167 196
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
28 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 91
80
60
43
40 119
20 41 79
108
65 134 152
30 167 187 213 229 251 266 289 317 339 358 379 401 432 450 475 496 517 534 549 565 600
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 91
O
80
60 119 O
40 43
108
20 77 134
27 53 67 95 117 133 152
176
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 91
O
80
43
60 O
40 119
20 27 39 53 79 108 134
65 95 121 152 166 194
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 91
O
80
60 119 O
40 43
108
20 79 134
39 53 81 103 121 137 152
15 27 63
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl ethyl carbonate
100 91
80 O
60 119
O O
40
79 134
20 41 105
15 27 53 67 83 117 136 152 180
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:(1S,3S,5S)-1-Isopropyl-4-methylenebicyclo[3.1.0]hexan-3-yl acetate $$ Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, 3-acetate, (1S,3S,5S)- $$ Bicyclo[3.1.0]hexan-3-ol,
100 91
80 H O O
60
40
43
20 108
41 53 65 77 134
27 9097 121
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
29 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 43
80
60
40 91 119
41
20 67 79 105 134
30 152 175 189 205217 237249 271 289 303 331 357369 395 418 439 456 471 485 510 545 558 571 586
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:trans-Pinocarvyl acetate $$ (1R,3S,5R)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-yl acetate $$ Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-, acetate, (1R,3S,5R)- $$
100 43 91
80
60 O
119
40
134
O
20 69 108
53 77
27 95 117 133 152 166
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:3(10)-Caren-4-ol, acetoacetic acid ester $$ 7,7-Dimethyl-4-methylenebicyclo[4.1.0]hept-3-yl 3-oxobutanoate # $$
100 43
91
80
O
60 119 134
O O
40
79
27
20 55 67 105
152 174 192 236
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:trans-Pinocarvyl acetate $$ (1R,3S,5R)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-yl acetate $$ Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-, acetate, (1R,3S,5R)- $$
100 43
80
60 91 O
40
119 O
20 27 134
79 93 108
51 65 125 148 166
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:Cyclohexanol, 2-methylene-3-(1-methylethenyl)-, acetate, cis- $$ 3-Isopropenyl-2-methylenecyclohexyl acetate, (Z)- $$ (Z)-2-Methylene-3-(1-methylethenyl)cyclohexyl acetate $$
100 43
80
60 O O
40
119 134
20 91 106
79
55 67
112123 135 152
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
100 91
O
80
43
60 O
40 119
20 27 39 53 79 108 134
65 95 121 152 166 194
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
30 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 107 150
80
60 79
91
40 39 135
53 67 121
20
30 165 180 208220 233 260 278 297 319 348 369 387 402 425 449 463 489 504 526 542554 573 592
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:2-Cyclohexen-1-one, 3-methyl-6-(1-methylethylidene)- $$ p-Mentha-1,4(8)-dien-3-one $$ Piperitenone $$ Pulespenone $$ 3-Terpinolenone $$ 3-Methyl-6-(1-methylethylidene)-2-cyclo
100 107 150
80
O
60
91 135
40 39 79
53 67
20
27 43 115
62 74 89 103
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:4,7,7-Trimethylbicyclo[4.1.0]hept-3-en-2-one $$ Bicyclo[4.1.0]hept-3-en-2-one, 4,7,7-trimethyl- $$ Car-3-en-5-one $$
100 107 150
80
91
60
79 135
40 39
67
20
43
53
117
O
27 56 70 90 103 132
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S)- $$ Levoverbenone $$ l-Verbenone $$ Verbenone, (L)- $$ 2-Pinen-4-one, (1S,5S)-(-)- $$ (-)-Verbenone $$ (S)-(-)-Verbenone $$ S
100 107
80
91 135
60
80
40 39 150
20 55 67
27 82 122 O
15 63 103 115 137
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Bicyclo[3.1.1]hept-2-en-6-one, 2,7,7-trimethyl- $$ Chrysanthenone $$ 2,7,7-Trimethylbicyclo[3.1.1]hept-2-en-6-one # $$ 2-Pinen-7-one $$
100 107
91
80
80 150
60
39 135
40 77
53 65 108 122
20 43 O
117 149
87 96 126
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl- $$ 2-Pinen-4-one $$ Berbenone $$ Verbenone $$ 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one # $$
100 107
135
80
80 91 150
60
39
40 27 108
55 67
95
20 29 51 122 O
17 131 146
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
31 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 105 119
80 161
60 91
40 81
41
20 55
69 133
30 147 175 189 204 221 243 262 292 315 328 345357369 391 408 430 444 463 476 493 506 525 543 562 580 599
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:.alfa.-Copaene
100 119 161 105
80
60
91
40
41 77 204
20 43 55 69 107
131 147
159 175 189 205
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:.alpha.-Cubebene $$ 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, [3aS-(3a.alpha.,3b.beta.,4.beta.,7.alpha.,7aS*)-(-)-] $$ 1H-C
100 105 119 161
80
60
40 41
81 91
55
20 27 39 69 77 121 133
204
147159 175 189
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:Copaene $$ Tricyclo[4.4.0.02,7]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer $$ Tricyclo[4.4.0.02,7]dec-3-ene, 8-isopropyl-1,3-dimethyl-, (1R,2S,6S,7S,8S)-(-)- $$ .alpha.-
100 105 119 161
80
93
41
60
40
27 39 55 77
20 69 121 133 204
147 159 175 189
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
100 105 119 161
80
60 93
40 41 91
81
55 204
20 27 43 69 162
131 147 189
175
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
100 105 119 161
80
41 93
60
40 55 81 91
43 69
20 27 162 204
131 147 189
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
32 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 81 93 105
80 67 161
119
60 41
40 55 133
147
20 189
30 175 204 236248 265 279 296 313 329 347 373 400 415 434 448 467 481 500 515 543 571 591
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1.alpha.,2.beta.,4.beta.)]- $$ Cyclohexane, 2,4-diisopropenyl-1-methyl-1-vinyl-, (1S,2R,4R)- (-)- $$ .beta.-Elemene, (-)
100 81 93
80 41 68
60 79 107
55
40 119 147 161
29 39 133
20 189
159 175 191 204
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:Guaia-1(10),11-diene
100 93 107
161
80 79
41 119 189
60
55
40 67 133
38 147
69 95 204
H
20 122
149 175
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:Bicyclo[5.3.0]decane, 2-methylene-5-(1-methylvinyl)-8-methyl- $$ 7-Isopropenyl-1-methyl-4-methylenedecahydroazulene # $$
100 79 93 107
80 41
161
60 55 67
119 133 147
40 29 39 189
20 175
204
159 191
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1R-(1.alpha.,7.beta.,8a.alpha.)]- $$ 4.beta.H,5.alpha.-Eremophila-1(10),11-diene $$ (+)-Valencene $$ Vale
100 41 161
79 91
80 93 105
60 119 133
55
40 29 67 204
147 162 189
20 43 175
122
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:Aromandendrene $$ 1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, [1aR-(1a.alpha.,4a.alpha.,7.alpha.,7a.beta.,7b.alpha.)]- $$ 1H-Cycloprop[e]azulene, decahydro-1
100 91 105
79 119 161
80 41 133
69
60 55
204
40 147 189
122
20 43 162
29 175
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
33 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 91
41
80 69 79
105 133
60
40 55 119
20 147 161
189 175
30 204 225 241 257 276 289 311 329 355367379 404416 429 450 468 503 528 556 584
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Caryophyllene $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]- $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (E)-(1R,9S)-(-)- $$ .b
100 93 133
80 41 69 79
105
60
119
40 53 147 161
20 27
189
204
15 164
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-,[1R-(1R*,4Z,9S*)]- $$ Isocaryophyllene $$ 4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene # $$ (Z)-.beta.-Caryop
100 41
69 93
80
79 133
60
39
55 81 107
40 27 120
20 121 148 161
175 189 204
157
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Caryophyllene $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]- $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (E)-(1R,9S)-(-)- $$ .b
100 41 69 93
80
79 133
60
55 81 107
40 39 120
27 147 161
20 189
175
160 197
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene- $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (Z)- $$ cis-4,11,11-Trimethyl-8-methylenebicyclo(7.2.0)unde
100 93 69
80 41 133
79
60
81 105
40 55 119 161
39
20 29 147 189
175 204
160 191
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-,[1R-(1R*,4Z,9S*)]- $$ Isocaryophyllene $$ 4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene # $$ (Z)-.beta.-Caryop
100 41 93
80 69
79 133
60 91
105 161
40 27
55
119
20 43 122 147 189 204
162 175
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
34 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 93
80
60
40 80
41 121
20 53
67 105 147
30 136 161 175 189 204 219 232 249 271 289 317 332 348 375 398 417429 460 478490 517 535 555 577 591
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:Humulene $$ .alpha.-Caryophyllene $$ 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)- $$ .alpha.-Humulene $$ Cycloundeca-1,4,8-triene,2,6,6,9-tetramethyl-, (E,E,E)- $$ 2,6,6
100 93
80
60
40 80
41 121
20 29 39 55 67 81 107
119 136 161 175 189 204
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
100 93
80
60
40 80
41 121
20 29 43 55 67 91 107 122
136 161 175 189 204
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
100 93
80
60 41
80
40
53 67 121
20 81
107 147
133 161 175 189 204
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:1,4,7,-Cycloundecatriene, 1,5,9,9-tetramethyl-, Z,Z,Z- $$ 1,5,9,9-Tetramethyl-1,4,7-cycloundecatriene # $$
100 93
80
60
40 80
121
147
20 41 55 67 91 107 122
29 136 204
161 175 189
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:Cyclohexene, 4-[(1E)-1,5-dimethyl-1,4-hexadien-1-yl]-1-methyl- $$ 4-[(1E)-1,5-Dimethyl-1,4-hexadienyl]-1-methyl-1-cyclohexene $$ 2,5-Heptadiene, 2-methyl-6-(4-methyl-3-cyclohe
100 93
80
60
40 80
121
41 109
67 204
20 39
55 81 136
29 148 161 175 189
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
35 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 91 105
80 41 79
60 67
119 133
161
40 55 147
20 189
30 175 204 223 240 260 287 303 323 336 361 376 399 417 439 475 502 524 545 564 586
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:Alloaromadendrene $$ 1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, [1aR-(1a.alpha.,4a.beta.,7.alpha.,7a.beta.,7b.alpha.)]- $$ 1H-Cycloprop[e]azulene, decahydro
100 91 105
133
80 41 79 119
69 161
60 147
55
40 204
53 95 135 189
20 29 175
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:Alloaromadendrene $$ 1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, [1aR-(1a.alpha.,4a.beta.,7.alpha.,7a.beta.,7b.alpha.)]- $$ 1H-Cycloprop[e]azulene, decahydro
100 91 105 161
93
80 41
79 119 133
60 69 147
55 204
40 122
27 43 189
20 162 175
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:Aromandendrene $$ 1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, [1aR-(1a.alpha.,4a.alpha.,7.alpha.,7a.beta.,7b.alpha.)]- $$ 1H-Cycloprop[e]azulene, decahydro-1
100 91 105
79 119 161
80 41 133
69
60 55
204
40 147 189
122
20 43 162
29 175
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:(1R,9R,E)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9R)- $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11
100 41 91 105
80 79 93 119 133 161 H
69
60 55 147
40 122 204
43 189
20 29 162 H
175
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene- $$ 1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, (1aR,4aR,7R,7aR,7bS)-rel- $$ 1,1,7-Trimethyl-
100 41
161
80 93
69
60 105
55 79 204
119 133
40 147
39 189
27
20
175
160
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
36 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 91 105 161
80
60 79 119
41
40 133
55 67
20 147
30 175 189 204 221233 247 279 299 326 342 355 375 392 409 427 443 475 491 505 519 532 546 569 593
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Germacrene D $$ (S,1Z,6Z)-8-Isopropyl-1-methyl-5-methylenecyclodeca-1,6-diene $$ D-Germacrene $$ 1(10),4(14),5-Germacratriene $$ (-)-Germacrene D $$
100 161
80 105
91
41 119
60
79
40 27
55 67 120 133
20 43 204
15 147
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Germacrene D $$ (S,1Z,6Z)-8-Isopropyl-1-methyl-5-methylenecyclodeca-1,6-diene $$ D-Germacrene $$ 1(10),4(14),5-Germacratriene $$ (-)-Germacrene D $$
100 161
105
80
60 91
119
40 79
41
133
20 39 55 67 204
27 121 147 160
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:.beta.-copaene
100 161
80 H
105
60 91
41
40 79 119
55 H
20 39 67 133
95 147
128 175 189 202
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:.beta.-ylangene
100 105 120 161
91
80 41 H
60 79
81
40 39
55
67 133 H
121
20 147 204
160 175 189
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)- $$ 1-Isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene # $$ 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1
100 161
80 105
41 79 91
60 119
40 133
29 53 67 94 204
20 134 147
175 189
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
37 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 93 121
80
60 79 107
41
40 67
55 161
20 136
30 175 189 204 217 246 270 283 301 323 345 364 382 404 428 457 472 491 505 520 536548 562 587
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:(1S,2E,6E,10R)-3,7,11,11-Tetramethylbicyclo[8.1.0]undeca-2,6-diene $$ Bicyclo[8.1.0]undeca-2,6-diene, 3,7,11,11-tetramethyl-, (1S,2E,6E,10R)- $$ Bicyclo[8.1.0]undeca-2,6-diene,
100 121
80 93 H
60 107
40 79
77 105
20 41 55 67 136 161 204 H
189
43 131 159 175 205
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:1,5-Cyclodecadiene, 1,5-dimethyl-8-(1-methylethylidene)-, (E,E)- $$ Germacrene B $$ Germacra-1(10),4,7(11)-triene $$ Germacra-1(10),4,7(11)-triene, (E,E)- $$ 1,5-Dimethyl-8-(1-m
100 121
80
60 67
93
105
41 119
40 79
133
53
161
20 39 147 189 204
29
159 175 191
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:1,5-Cyclodecadiene, 1,5-dimethyl-8-(1-methylethylidene)-, (E,E)- $$ Germacrene B $$ Germacra-1(10),4,7(11)-triene $$ Germacra-1(10),4,7(11)-triene, (E,E)- $$ 1,5-Dimethyl-8-(1-m
100 121
80 93
41
60
107
40 55
67 79
91
43
20 27 122 136 161
189 204
147 162
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:.gamma.-Elemene $$ 1-Methyl-2-(1-methylethenyl)-4-(1-methylethylidene)-1-vinylcyclohexane), (1R-trans)- $$ (-)-.gamma.-Elemene $$ o-Menth-8-ene, 4-isopropylidene-1-vinyl, (-)- $
100 121
80 93
41
60
107
40 55 67
79
39 119
27 136 161
20 147 189 204
160 175
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:.gamma.-Elemene $$ 1-Methyl-2-(1-methylethenyl)-4-(1-methylethylidene)-1-vinylcyclohexane), (1R-trans)- $$ (-)-.gamma.-Elemene $$ o-Menth-8-ene, 4-isopropylidene-1-vinyl, (-)- $
100 41 121
93
80
60 67
91 107
53
79
40 29
43 133
20 161
147 189
123 204
163 175
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
38 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 105 119 161
80
91
60 134
40 81
41 204
20 55 69
147 189
30 176 222 237 259 281 301 319 343 355367 379 401 414 429 456 475 495 512 532 549 564 581
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:1-Isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene $$ Cadina-1(10),4-diene $$
100 161
80
119 134
60 105
41 91
204
40 69
77
55 133
20 115 189
51 147 160
176 206
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)- $$ Cadina-1(10),4-diene $$ .delta.-Cadinene, (+)- $$ (+)-.delta.-Cadinene $$ .delta.-Cadinene $$ 1-Isop
100 119 161
80 41
91
105
134
60 H
81 93 204
40 55
29 43 H
162
20 65 128 145
189
176
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:isoledene $$ 1,1,4,7-Tetramethyl-1a,2,3,4,5,6,7,7b-octahydro-1H-cyclopropa[e]azulene # $$ (1aR,4R,7R,7bS)-1,1,4,7-Tetramethyl-1a,2,3,4,5,6,7,7b-octahydro-1H-cyclopropa[e]azulen
100 105
161
80 119 H
H
60
91
40 133 204
20 41 77 93 147 162 189

67 131
29 51 176
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:.alfa.-Copaene
100 119 161 105
80
60
91
40
41 77 204
20 43 55 69 107
131 147
159 175 189 205
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)- $$ Cadina-1(10),4-diene $$ .delta.-Cadinene, (+)- $$ (+)-.delta.-Cadinene $$ .delta.-Cadinene $$ 1-Isop
100 161
80
60 134
105 119 H
204
40 41
81 91 H
20 55 189
27 39 6977
129 147 159 175
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
39 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 79 93 107
80 67
41
60 121
55
40 133 147
161 189
20 175
30 207 232 246 263 290 309 325 342 376 392 416 438450 465 478 494 516 529 542 569581
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Cycloheptane, 4-methylene-1-methyl-2-(2-methyl-1-propen-1-yl)-1-vinyl- $$ 1-Methyl-4-methylene-2-(2-methyl-1-propenyl)-1-vinylcycloheptane # $$
100 93 107
41
80 81
67
60 55 69
119 133
40 109
161
147 189
20 27
176
149 204
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Bicyclo[5.3.0]decane, 2-methylene-5-(1-methylvinyl)-8-methyl- $$ 7-Isopropenyl-1-methyl-4-methylenedecahydroazulene # $$
100 79 93 107
80 41
161
60 55 67
119 133 147
40 29 39 189
20 175
204
159 191
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1.alpha.,2.beta.,4.beta.)]- $$ Cyclohexane, 2,4-diisopropenyl-1-methyl-1-vinyl-, (1S,2R,4R)- (-)- $$ .beta.-Elemene, (-)
100 81 93
80 41 68
60 79 107
55
40 119 147 161
29 39 133
20 189
159 175 191 204
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Azulene, 1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1S-(1.alpha.,7.alpha.,8a.beta.)]- $$ (3S,3aS,5R)-3,8-Dimethyl-5-(prop-1-en-2-yl)-1,2,3,3a,4,5,6,7-octahydroazu
100 93 107
41
80
79
60 55 91
29 67
40 119 135 147 189
43
20 122
161 204
162 175
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Azulene, 1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1S-(1.alpha.,7.alpha.,8a.beta.)]- $$ (3S,3aS,5R)-3,8-Dimethyl-5-(prop-1-en-2-yl)-1,2,3,3a,4,5,6,7-octahydroazu
100 93 107
80
41 79
60
55 135
189
40 67 119 147
53 204
29 161
20
15 175
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
40 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 69
80 41
93
60 43
71 107
40
20 121 136 161
30 147 176 189 204 219 237 252 271283 299 316 342 360 381 401 426438 461 476 491 513 528 547 565 578
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (E)- $$ (.+/-.)-trans-Nerolidol $$ (6E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol # $$ (6E)-Nerolidol $$ E-Nerolidol $$ Nerolidol, E- $$ Ner
100 69
OH
80
60 41 93
40 71
55 81 107
20 136
27 39 119 161
18 148 179 204
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Nerolidol $$ 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(Z)]- $$ 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (Z)-(S)-(+)- $$ (+)-Nerolidol $$ D-Nerolidol $$ Nerolidol, cis-(+)- $$ P
100 41 69
HO
80
60
43 93
40
55 81 107
20 27 109 121 136 161
148 164 179 204
222
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl- $$ Nerolidol $$ 3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol $$ 3,7,11-Trimethyldodeca-1,6,10-trien-3-ol $$ 3-Hydroxy-3,7,11-trimethyl-1,6,10
100 69
80
41
HO
60 93
40
43 55 81 107
20 27 109 123 136 161
18 148 164 177 189 204 222
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl- $$ Nerolidol $$ 3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol $$ 3,7,11-Trimethyldodeca-1,6,10-trien-3-ol $$ 3-Hydroxy-3,7,11-trimethyl-1,6,10
100 41
69
80
43
HO
60
93
40 55
81 107
20 27 91 121 136 161
18 148 179 204
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Nerolidol $$ 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(Z)]- $$ 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (Z)-(S)-(+)- $$ (+)-Nerolidol $$ D-Nerolidol $$ Nerolidol, cis-(+)- $$ P
100 41 69
HO
80
60
93
55
40
81 107
20
44 58 77 91 105 119 161
133
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
41 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 43 91
80 149
105
41 79 119
60
67 159
40 131
205
177
20
30 221 243 265 281 298 321 347 361 380 402 417 430 459 472 495 510 524 547 565 577
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1ar-(1a.alpha.,4a.alpha.,7.beta.,7a.beta.,7b.alpha.)]- $$ (1aR,4aR,7S,7aR,7bR)-1,1,7-Trimethyl-4-methylenedeca
100 43
80 41
91 OH
60 105 119
205
40 55 79 159
29 67 117 131 145
20
163 177 220
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
100 43 91 119
105 205
80
41 79 OH
159
60 69 131
121 147
40 55 187
20 177
29 173 220
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:(-)-Spathulenol $$ (1aS,4aS,7R,7aS,7bS)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol $$ 1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-
100 43
80 OH
41
60
91 119
40 69 79 105 159 205
55
27 121 147
20 187
173 220
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
100 43
80
205
OH
60 119
91
105 159
40 69 79 147
55 131 145
20 65
177
206
220
173
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulene-4,7-diol $$ Aromadendrane-4,10-diol $$
100 43
80 HO
60 93 107 121
79 105
40 67 162
55 131 147
20 177 202 220
OH
27 192 238
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
42 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 79
41 91
80
60 69
40 105
121
20 135 149161
30 177 205 222 244 257 282 307 320 341 361 375 401 415 429441 461 480 514 538 566 586
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:Caryophyllene oxide $$ 5-Oxatricyclo[8.2.0.0(4,6)-]dodecane, 4,12,12-trimethyl-9-methylene-, [1R-(1R*,4R*,6R*,10S*)]- $$ 5-Oxatricyclo(8.2.0.0(4,6))dodecane, 4,12,12-trimethyl-9
100 43 79
80
93
60
55 69 O
40 27
109
53 110
20 135 149 161 177
205 220
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:Caryophyllene oxide $$ 5-Oxatricyclo[8.2.0.0(4,6)-]dodecane, 4,12,12-trimethyl-9-methylene-, [1R-(1R*,4R*,6R*,10S*)]- $$ 5-Oxatricyclo(8.2.0.0(4,6))dodecane, 4,12,12-trimethyl-9
100 43
80
79 93
69
60
109 O
55
40 81
121
39
20 120 138
177
151 191 205 220
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:Cyclobutene, 4,4-dimethyl-1-(2,7-octadienyl)- $$ 4,4-Dimethyl-1-[(2E)-2,7-octadienyl]-1-cyclobutene # $$
100 41 93 79
80
67
60 55
40 27
77 105 121
20 133 147 190

161 175
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:1,5,9,11-Tridecatetraene, 12-methyl-, (E,E)- $$ (5E,9E)-12-Methyl-1,5,9,11-tridecatetraene # $$
100 41 93
79
80
60 67
55 82
40 105
27 121
53
20 133 147
109
161 175 188
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:11,11-Dimethyl-spiro[2,9]dodeca-3,7-dien
100 41 79 91
80 67
82
60
55 105 119
40 133 147
27 53
20 136 161
175
109
189
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
43 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 43
81 109
80 41 93
67 122
60
161
40
147
20 133
30 179 204 220 235 249 265 280 295 312 328 342 359 391 410 440 466 489 512 528 542 566 583
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:Ledol $$ 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1ar-(1a.alpha.,4.alpha.,4a.beta.,7.alpha.,7a.beta.,7b.alpha.)]- $$ 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-
100 69 109 122
OH
80 43
67 81
60 93
55 161
133
40 147
189 204
135
20 29 222
175
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:Ledol $$ 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1ar-(1a.alpha.,4.alpha.,4a.beta.,7.alpha.,7a.beta.,7b.alpha.)]- $$ 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-
100 43
OH
80 41 69
109 122
60 81
55 95 107
40 161
29
20 133 147 189 204
165 179 222
208
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:(-)-Globulol $$ (1aR,4R,4aR,7R,7aS,7bS)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol $$ Globulol $$ 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1a
100 43
69 107 OH
80 81
93 121 161
60 55
119
40 133 189 204
147
53
20 29 175
222
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1aR-(1a.alpha.,4.beta.,4a.beta.,7.alpha.,7a.beta.,7b.alpha.)]- $$ Viridiflorol $$ 1,1,4,7-Tetramethyldecahydro-1H-cyclopro
100 109
OH
80 43 69
107 161
60 41 81 122
93
55
40 189
204
133 147
20 164
29
208 222
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
CompName:(1aR,4S,4aR,7R,7aS,7bS)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol $$ Epiglobulol $$ epi-Globulol $$
100 43 82 109
69
80 H
H H
93 161
60 119
55
40
133 189 204
53 147 H
20 OH
29 175 222
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
44 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 222
177
80
121 149
60 77
106 207
40 65
91
39 53
20 133 191
161
30 224 241 259 273 291 310 332 350 371 384 401 427 459 489 502 525 541 567 580592
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:4,7-Dimethoxy-5-[prop-1-en-1-yl]-2H-1,3-benzodioxole
100 149 222
O
80 65 77
60 51 91 121 177 O
106
40 41 O
38 134
20 103
147 163
207 O
191
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Apiol $$ 1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propenyl)- $$ Benzene, 1-allyl-2,5-dimethoxy-3,4-(methylenedioxy)- $$ Apiole $$ Apioline $$ Parsley apiole $$ Parsley camphor $$ 1-
100 222
O
80
O
60
40 O
207
20 149 177 O
191
39 50 65 77 91 106 119 133 151
181
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 222
O
80
O
60
40 O
207
20 39 53 77 91 106
149 177
195 O
15 28 63 119 133 161
208
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 222
O
80
O
60
40 O
39 65 77 91 149 207
20 53 63 121 177 O
103 133 161 191
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Benzoic acid, 3-(2,3-dimethoxy-4,5-methylenedioxyphenyl)propyl ester $$ 3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)propyl benzoate # $$
100 77 105 344
177
80 222 O O
195 O
60 O
207
40 O
149 O
20 51
65 121 135 165
27 39 91 314
224 239
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
45 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 91 119
43 105
80
60 147
162
41
79
40 67 131
20 202
177
31 220 232 255 270 290302 322 349 377 399 415 430 454 469 489 508519 538 551 568 586
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:(-)-Spathulenol $$ (1aS,4aS,7R,7aS,7bS)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol $$ 1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-
100 119
80 91 OH
105
60 43
133 147 159
40 67
77 131
202 220
20 53 187
29 173
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
100 43 91 119
105 205
80
41 79 OH
159
60 69 131
121 147
40 55 187
20 177
29 173 220
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:Isospathulenol $$ (1aR,7S,7aS,7bR)-1,1,4,7-Tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulen-7-ol $$ 1H-Cycloprop[e]azulen-7-ol, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,4
100 119
80 H
43 91 H H OH
60
105 162
40 41 79 147
121 134
20 55 67 177 205
27 220
174
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
100 43
80 41
91 OH
60 105 119
205
40 55 79 159
29 67 117 131 145
20
163 177 220
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulene-4,7-diol $$ Aromadendrane-4,10-diol $$
100 43
80 HO
60 93 107 121
79 105
40 67 162
55 131 147
20 177 202 220
OH
27 192 238
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
46 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 41 91 136
80
67 79
60 105
40 55 121
20 149
30 175 189 207 220 249 268 282 306 325 341 376388 416 431443 457 473 495 516 529 549 585
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Caryophylla-4(12),8(13)-dien-5.alpha.-ol $$ Bicyclo[7.2.0]undecan-5-ol, 10,10-dimethyl-2,6-bis(methylene)-, (1S,5R,9R)- $$ Bicyclo[7.2.0]undecan-5-ol, 10,10-dimethyl-2,6-bis(meth
100 136
80 H
60 HO
41 69
40 79 91
55 109
121 H
20 65 149
29
17 173 187 205 220
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:(E)-Labda-8(17),12-diene-15,16-dial $$ (E)-2-(2-((1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)ethylidene)succinaldehyde $$ Butanedial, 2-[2-[(1S,4aS,8aS)-de
100 137 O
91 O
69 81
80 41 55
123
60 105
40
302
20 147
161 177 190 258
273 287
27 H
213 225 241
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:10,10-Dimethyl-2,6-dimethylenebicyclo[7.2.0]undecan-5.beta.-ol $$ 10,10-Dimethyl-2,6-dimethylenebicyclo[7.2.0]undecan-5-ol # $$
100 136
80
60
41 69 HO
40 79 91
55 105
20 43 121
149
29 164 177 205 220
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Alloaromadendrene oxide-(1)
100 41
H O
80
60 91
105
79
40 55 69 109 H
27
43 121 135 177
20 147 189
159 202 220
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Aromadendrene oxide-(2)
100 41
H O
80
60 55
91
27 81
40 67 107 177
43
H
20 109121 133 147
159 189
205 220
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
47 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 91
80 105
135
60 79
40 41 117 159 177
55 67 147
20
30 187 202 220 249 267 287 300 320 336 355 373 389 415 432 461 475 489 516 543 557 582
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Ylangenol $$ (8-Isopropyl-1-methyltricyclo[4.4.0.02,7]dec-3-en-3-yl)methanol $$ Tricyclo[4.4.0.02,7]dec-3-ene-3-methanol, 1-methyl-8-(1-methylethyl)-, $$ Ref. J. Chil. Chem. Soc.,
100 135
91 177
HO
80 105
60
117 159
79
40
147
41 55 67 220
20 53 189 202
27 175 218
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Tricyclo[4.4.0.0(2,7)]dec-3-ene-3-methanol, 1-methyl-8-(1-methylethyl)-
100 91 135
177 OH
80 105
60 41 79
55 159
121 136
40 107
67
20 220
202
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:(1R,2R,4S,6S,7S,8S)-8-Isopropyl-1-methyl-3-methylenetricyclo[4.4.0.02,7]decan-4-ol $$ Tricyclo[4.4.0.02,7]decan-4-ol, 1-methyl-3-methylene-8-(1-methylethyl)-, (1R,2R,4S,6S,7S,8
100 159
80 H
OH
60 118
91 131
40 41 79 105
55 67 132
43 93 H
20 145
177
H
29 163 201
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:4,7,10,13,16,19-Docosahexaenoic acid, methyl ester, (all-Z)- $$ Methyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate # $$ (all-Z)-Methyl Docosa-4,7,10,13,16,19-hexa
100 79 91
80
60 67 O
41 105 O
40 119
55 131
20 53 129 145 159
173 185 201
215227 241
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Doconexent $$ cis-4,7,10,13,16,19-Docosahexanoic acid $$ (all-Z)-4,7,10,13,16,19-Docosahexaenoic acid $$ cis-4,7,10,13,16,19-Docosahexaenoic acid $$ 4,7,10,13,16,19-Docosahe
100 79
91
80
60 67 O
41
105 OH
40 55 119
20 131
145 159
27 173 192 215 227 241 259 278 299
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
48 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 95
80 121
43
60
79 161
40 109
41 67
20 137 204
30 179 212 237 255 282 294 320 341 354 367 387 400 417 440 461 473 503 517 537 559 586
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:.alpha.-Cadinol $$ 4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenol # $$ (1R,4S,4aR,8aR)-4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol $$
100 43 95 121
OH
80
60
40 41 71 79 105 161 204
55 137
20 149
29 179 208 222
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:.tau.-Muurolol $$ 4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenol-, [1S-(1.alpha.,4.alpha.,4a.alpha.,8a.alpha.)]- $$ .alpha.-epi-Muurolol $$ epi-.alpha.-Muurolol $$
100 95 121 HO
43
80 161
60 204
79 105
40 41 71
55 164
20 133 149 179
29
208 222
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:.alpha.-Cadinol $$ 4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenol # $$ (1R,4S,4aR,8aR)-4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol $$
100 43
OH
80
95
60
121
40 204
79 161
55 71 105
20
135 149 166 179 207 222
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:.tau.-Cadinol $$ 4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenol-, (1S-(1alpha,4alpha,4aalpha,8abeta))- $$ (1S,4S,4aR,8aR)-4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7
100 43 161
OH
80
95
60 121
41 79 204
105
40 71
119
55
134
20 164 189
29 149 177 208 222
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
CompName:Spirojatamol $$ Spiro[4.5]decan-1-ol, 1-methyl-6-methylene-9-(1-methylethyl)-, (1S,5S,9R)- $$ Spiro[4.5]decan-1-ol, 1-methyl-6-methylene-9-(1-methylethyl)-, [1S-[1.alpha.,5.beta.(S
100 121
80
161
60
43 105
79 93
40
71
20
41
55 OH
135 149
29 176 189 204 222
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
49 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 149 222
80
60 121
77 91 177
40 65 191 207
106
39 133 161
20 51
30 224 241 265 290 317 337 356 369 390402 426 442 466 485 517 545 572 586
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 222
O
80
O
60
40 O
207
20 39 53 77 91 106
149 177
195 O
15 28 63 119 133 161
208
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:4,7-Dimethoxy-5-[prop-1-en-1-yl]-2H-1,3-benzodioxole
100 149 222
O
80 65 77
60 51 91 121 177 O
106
40 41 O
38 134
20 103
147 163
207 O
191
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 222
O
80
O
60
40 O
39 65 77 91 149 207
20 53 63 121 177 O
103 133 161 191
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
100 222
O
80
O
60
40 O
207
20 149 177 O
191
39 50 65 77 91 106 119 133 151
181
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:trans-2,4-Dimethoxycinnamic acid, methyl ester
100 191
O
80
222
60 O
40 149
133 O O
77 121 176
20 51 63 89 103 161
15 29 39 177 207 225
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
50 / 51
9/15/2023 4:25:51 PM
<< Target >>

100 41 91
80 69
79
60 105
55
40 131
119
20 145
159 187
31 173 205 221 248 264276 291 305 327 341 356 372 392 417 444 467 489 514 529 544556 572 592
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:geranyl-.alpha.-terpinene
100 41 69 119
80
60 93 105
55 132
40 79
20 145 159 187

175 201 215 229 243 257 272
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Doconexent $$ cis-4,7,10,13,16,19-Docosahexanoic acid $$ (all-Z)-4,7,10,13,16,19-Docosahexaenoic acid $$ cis-4,7,10,13,16,19-Docosahexaenoic acid $$ 4,7,10,13,16,19-Docosahe
100 79
91
80
60 67 O
41
105 OH
40 55 119
20 131
145 159
27 173 192 215 227 241 259 278 299
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Andrographolide $$ 2(3H)-Furanone, 3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy- $$
100 91
41 HO
HO
80 55
79
105
119 OH
60
40 67
39 133
145 159 O
20 173 187 O
274 302 332
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:cis-5,8,11,14,17-Eicosapentaenoic acid $$ Icosapentaenoic acid $$ (all-Z)-5,8,11,14,17-Eicosapentaenoic acid $$ EPA $$ Timnodonic acid $$ 5,8,11,14,17-Eicosapentaenoic acid, (5Z,
100 79
80 91 O
67
60 41 55
OH
105
40 119
20 133
27 147 166
187 206 233 248 273 292
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
CompName:Eudesma-4(15),7-dien-1.beta. -ol $$ (1R,4aS,8aR)-6-Isopropyl-8a-methyl-4-methylene-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol $$
100 159
81
OH
80 41 91
69
60 55 105
40 117 131
53 133 177
202 H
20 29
145
173 187 220
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
51 / 51

A15

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9/15/2023 4:25:51 PM

C:\Users\User\Desktop\Juliet-Mary\REGALIAS GORGOJOS\7-09-2023 DB5\A15.qgd

Chromatogram (All TIC)

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Peak Report TIC

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20 81 105 119 134 HO

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20 41 77 93 147 162 189

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20 133 147 190

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20 145 159 187

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