9/11/2023 4:13:23 PM

C:\Users\User\Desktop\Juliet-Mary\REGALIAS GORGOJOS\7-09-2023 DB5\Q1.qgd

Chromatogram (All TIC)

31.083
16,033,791

77.836
73.915 74.204

80.815
80.583
79.695
79.515
78.578
78.362
78.824
77.324
77.531
68.659

74.615
74.445
73.815
73.665
73.575
73.385
72.695
71.855
18.497

28.467

70.325
34.119
16.671

27.883
27.979

44.946
15.900

29.034

30.787
17.438
17.820

TIC*1.00
27.520

30.414

34.538
28.850

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 15.900 15.860 15.965 189259 0.11 81136 0.34 2.33 Pentane, 3-ethyl-2,4-dimethyl-
2 16.671 16.615 16.730 461088 0.26 168128 0.71 2.74 2-Heptanone, 3-methyl-
3 17.438 17.395 17.480 86990 0.05 39190 0.17 2.22 Hexane, 2-nitro-
4 17.820 17.775 17.865 133297 0.08 55201 0.23 2.41 2-Hexanone, 3,3-dimethyl-
5 18.497 18.425 18.585 1657633 0.93 568127 2.40 2.92 3-Penten-2-one, 4-methyl-
6 27.520 27.460 27.575 145259 0.08 47885 0.20 3.03 2-Cyclohexen-1-one, 5-methyl-2-(1-methylethyl)-
7 27.883 27.815 27.930 403479 0.23 125022 0.53 3.23 Terpinen-4-ol
8 27.979 27.930 28.030 318237 0.18 110019 0.46 2.89 V 3-Ethyl-1,5-octadiene
9 28.467 28.395 28.545 1795051 1.01 548981 2.32 3.27 .alpha.-Terpineol
10 28.850 28.810 28.985 94091 0.05 22367 0.09 4.21 Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, (1.al
11 29.034 28.985 29.125 329079 0.19 89959 0.38 3.66 V 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, trans-
12 30.414 30.295 30.460 181335 0.10 27236 0.12 6.66 2-Butanone, 4-phenyl-
13 30.787 30.730 30.845 169790 0.10 48646 0.21 3.49 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethyl)-, (S)-
14 31.083 30.845 31.545 85940219 48.39 14497772 61.27 5.93 V 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-
15 34.119 34.045 34.205 797087 0.45 252302 1.07 3.16 (1S,2E,6E,10R)-3,7,11,11-Tetramethylbicyclo[8.1.0]undeca-2,6
16 34.538 34.475 34.600 81618 0.05 26981 0.11 3.03 .alpha.-Terpinyl acetate
17 44.946 44.870 45.055 384478 0.22 87144 0.37 4.41 Diethyl Phthalate
18 68.659 68.370 68.875 9570094 5.39 1075644 4.55 8.90 Tetratetracontane
19 70.325 70.275 70.385 49467 0.03 9976 0.04 4.96 Semicarbazide, 4-(1,7,7-trimethylbicyclo[2.2.1]heptyl-2-ideno)-
20 71.855 71.805 72.055 110065 0.06 14374 0.06 7.66 Andrographolide
21 72.695 72.655 72.745 31018 0.02 11700 0.05 2.65 Isopimaric acid, TMS
22 73.385 73.315 73.535 151996 0.09 22502 0.10 6.75 10-12-Pentacosadiynoic acid
23 73.575 73.535 73.625 59439 0.03 13541 0.06 4.39 V Pregnane-18,20-diol, (5.alpha.)-
24 73.665 73.625 73.725 54123 0.03 15229 0.06 3.55 V 1,4-Methanoazulen-3-ol, decahydro-1,5,5,8a-tetramethyl-, [1S-(
25 73.815 73.725 73.905 160060 0.09 21672 0.09 7.39 V Stigmast-5-en-3-ol, oleate
26 73.915 73.905 73.965 71857 0.04 20682 0.09 3.47 V 4-(3,3-Dimethyl-but-1-ynyl)-4-hydroxy-2,6,6-trimethylcyclohex
27 74.204 73.965 74.335 10943477 6.16 1579844 6.68 6.93 V Triacontane, 1-iodo-
28 74.445 74.335 74.495 123138 0.07 24138 0.10 5.10 V 2-Pentenoic acid, 5-(decahydro-5,5,8a-trimethyl-2-methylene-1-
29 74.615 74.495 74.815 240536 0.14 28294 0.12 8.50 (3R,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1
30 77.324 74.815 77.390 21927679 12.35 463263 1.96 47.33 9,19-Cyclolanost-24-en-3-ol, (3.beta.)-
31 77.531 77.390 77.615 5247419 2.95 403978 1.71 12.99 V 1-Heptatriacotanol
32 77.836 77.615 78.040 17980186 10.12 2044191 8.64 8.80 V Triacontane, 1-iodo-
33 78.362 78.040 78.440 5858437 3.30 282135 1.19 20.76 V .beta. Carotene
34 78.578 78.440 78.690 3409723 1.92 260698 1.10 13.08 V Stigmasterol
35 78.824 78.690 78.965 2471699 1.39 170180 0.72 14.52 V 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-meth
36 79.515 78.965 79.615 2885909 1.63 90668 0.38 31.83 V 5-Cholesten-3.beta.-acetoxy-24-thiol
37 79.695 79.615 79.890 824069 0.46 80410 0.34 10.25 V Rhodopin
38 80.583 79.890 80.740 1639717 0.92 134694 0.57 12.17 V 6,10,14,18,22-Tetracosapentaen-2-ol, 3-bromo-2,6,10,15,19,23-
39 80.815 80.740 80.890 604616 0.34 98311 0.42 6.15 V 2,6,10,14-Hexadecatetraenoic acid, 3,7,11,15-tetramethyl-, meth
177582714 100.00 23662220 100.00
Library

1 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:1 R.Time:15.900(Scan#:781) MassPeaks:263
RawMode:Averaged 15.895-15.905(780-782) BasePeak:43.05(20454)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 43
80
60
85
40
41 75
20 58
30 103 118 133145 167 187 209221 237249 267 282294 311 331 355 370 389 419 437 453465 488 503 526 544 564 578 591

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:5397 Library:NIST14s.lib
SI:86 Formula:C9H20 CAS:1068-87-7 MolWeight:128 RetIndex:724
CompName:Pentane, 3-ethyl-2,4-dimethyl- $$ 2,4-Dimethyl-3-ethylpentane $$ 3-Ethyl-2,4-dimethylpentane $$
100 43
80
60
85
40
41 57
20 27 69
30 53 6572 83 95 113 128

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:8335 Library:NIST14.lib
SI:86 Formula:C6H13NO2 CAS:14255-44-8 MolWeight:131 RetIndex:935
CompName:Hexane, 2-nitro- $$ 2-Nitrohexane # $$
100 43
80
O O
60 N
41 85
40
27 55
20
30 5360 69 8390 101 114 127

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:4613 Library:NIST14.lib
SI:85 Formula:C6H12O2 CAS:25910-96-7 MolWeight:116 RetIndex:815
CompName:3-Oxetanol, 2,2,3-trimethyl- $$ 2,2,3-Trimethyl-3-oxetanol # $$
100 43
80 OH
60 O
58
40
71
20 27 59 86
21 3844 53 67 7583 98

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:7441 Library:NIST14.lib
SI:85 Formula:C8H16O CAS:26118-38-7 MolWeight:128 RetIndex:868
CompName:2-Hexanone, 3,3-dimethyl- $$ 3,3-Dimethyl-2-hexanone # $$
100 43
80
O
60
40
85
20 15 27
38 51 65 79 88 99 113 128

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:4054 Library:NIST14.lib
SI:85 Formula:C6H10O2 CAS:17257-81-7 MolWeight:114 RetIndex:806
CompName:Ethanone, 1-(3-ethyloxiranyl)- $$ 2-Hexanone, 3,4-epoxy- $$ 1-(3-Ethyl-2-oxiranyl)ethanone # $$
100 43
80 O
O
60
85
40
20 57
31 44 53 71 83 114

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580

2 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:2 R.Time:16.670(Scan#:935) MassPeaks:332
RawMode:Averaged 16.665-16.675(934-936) BasePeak:43.05(39435)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 43
80
60
40 57
72
85

20 41
30 103 131 153 166 192 207 235 261 277 293 314 329341 355 383 401 415 446458 487 514526 543 561 574

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:7437 Library:NIST14.lib
SI:85 Formula:C8H16O CAS:2371-19-9 MolWeight:128 RetIndex:888
CompName:2-Heptanone, 3-methyl- $$ 3-Methyl-2-heptanone $$ 3-Methylheptan-2-one $$
100 43
80
60
72 O
40
20 15
27
57 85
38 51 65 74 99 113 128

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:7438 Library:NIST14.lib
SI:85 Formula:C8H16O CAS:19550-10-8 MolWeight:128 RetIndex:824
CompName:2-Hexanone, 3,4-dimethyl- $$ 3,4-Dimethyl-2-hexanone $$
100 43
80
60
40
72 O
20 27
39 57
18 5158 69 81 93 105 119

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:1843 Library:NIST14s.lib
SI:84 Formula:C6H12O CAS:565-61-7 MolWeight:100 RetIndex:690
CompName:2-Pentanone, 3-methyl- $$ sec-Butyl Methyl ketone $$ Methyl sec-butyl ketone $$ Methyl 1-methylpropyl ketone $$ 3-Methyl-2-pentanone $$ sec-C4H9COCH3 $$ 3-Methylpentan-2-
100 43
80
60
40 O
57 72
20 29
27
3844 5360 74 8391

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:13239 Library:NIST14.lib
SI:84 Formula:C8H16O2 CAS:30536-44-8 MolWeight:144 RetIndex:1028
CompName:4-Butoxy-2-butanone
100 43
80
O
60
40 O
71
57
20 29
15 39 56 73 87 101
115 129 143

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:4202 Library:NIST14.lib
SI:84 Formula:C7H14O CAS:26254-92-2 MolWeight:114 RetIndex:777
CompName:Butanal, 2-ethyl-3-methyl- $$ (CH3)2CHCH(C2H5)CHO $$ 2-Ethylisovaleraldehyde $$ 2-Ethyl-3-methylbutanal $$ 2-Ethyl-3-methylbutyraldehyde $$
100 43
80
60
57
O
40 41 72
27
20 85
15 31 53 65 81 96 114

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580

3 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:3 R.Time:17.440(Scan#:1089) MassPeaks:277
RawMode:Averaged 17.435-17.445(1088-1090) BasePeak:43.05(9042)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 43
80
60
40 41 57 85
20 75
30 100 115 128 150 181 199 219 239 261 280 301 316 334 355 391 420 446 472 499 516 531 549 570 585

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:1 Entry:8335 Library:NIST14.lib
SI:86 Formula:C6H13NO2 CAS:14255-44-8 MolWeight:131 RetIndex:935
CompName:Hexane, 2-nitro- $$ 2-Nitrohexane # $$
100 43
80
O O
60 N
41 85
40
27 55
20
30 5360 69 8390 101 114 127

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:2 Entry:5394 Library:NIST14s.lib
SI:85 Formula:C9H20 CAS:2213-23-2 MolWeight:128 RetIndex:788
CompName:Heptane, 2,4-dimethyl- $$ 2,4-Dimethylheptane $$
100 43
80
60
40 85
27 57
71
20 39
5158 69 77 9199 111 128

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:3 Entry:19165 Library:NIST14.lib
SI:85 Formula:C10H20O CAS:107995-55-1 MolWeight:156 RetIndex:1081
CompName:Hexane, 1-(3-butenyloxy)- $$ 3-Butenyl hexyl ether # $$
100 43
80
60 85
O
40
27 55
20 83
44 67 115
96 156

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:4 Entry:5397 Library:NIST14s.lib
SI:85 Formula:C9H20 CAS:1068-87-7 MolWeight:128 RetIndex:724
CompName:Pentane, 3-ethyl-2,4-dimethyl- $$ 2,4-Dimethyl-3-ethylpentane $$ 3-Ethyl-2,4-dimethylpentane $$
100 43
80
60
85
40
41 57
20 27 69
30 53 6572 83 95 113 128

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:5 Entry:7556 Library:NIST14.lib
SI:85 Formula:C9H20 CAS:921-47-1 MolWeight:128 RetIndex:724
CompName:Hexane, 2,3,4-trimethyl- $$ 2,3,4-Trimethylhexane $$
100 43
80
60
40 57 71 85
27
70
20 39
51 59 77 9199 113 128

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560

4 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:4 R.Time:17.820(Scan#:1165) MassPeaks:265
RawMode:Averaged 17.815-17.825(1164-1166) BasePeak:43.05(14412)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 43
80
60
40 41 85
57
20
30 83 110 131 144156 176 189 204 234 249 276 296 311 327 353 374 400 415 431 449 466 479 497 513 542 573 591

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:7441 Library:NIST14.lib
SI:87 Formula:C8H16O CAS:26118-38-7 MolWeight:128 RetIndex:868
CompName:2-Hexanone, 3,3-dimethyl- $$ 3,3-Dimethyl-2-hexanone # $$
100 43
80
O
60
40
85
20 15 27
38 51 65 79 88 99 113 128

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:5397 Library:NIST14s.lib
SI:87 Formula:C9H20 CAS:1068-87-7 MolWeight:128 RetIndex:724
CompName:Pentane, 3-ethyl-2,4-dimethyl- $$ 2,4-Dimethyl-3-ethylpentane $$ 3-Ethyl-2,4-dimethylpentane $$
100 43
80
60
85
40
41 57
20 27 69
30 53 6572 83 95 113 128

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:5400 Library:NIST14s.lib
SI:87 Formula:C9H20 CAS:1069-53-0 MolWeight:128 RetIndex:724
CompName:Hexane, 2,3,5-trimethyl- $$ 2,3,5-Trimethylhexane $$
100 43
80
60
40 85
57
20
27 39 69
5158 77 113 128

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:4054 Library:NIST14.lib
SI:86 Formula:C6H10O2 CAS:17257-81-7 MolWeight:114 RetIndex:806
CompName:Ethanone, 1-(3-ethyloxiranyl)- $$ 2-Hexanone, 3,4-epoxy- $$ 1-(3-Ethyl-2-oxiranyl)ethanone # $$
100 43
80 O
O
60
85
40
20 57
31 44 53 71 83 114

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:5306 Library:NIST14s.lib
SI:86 Formula:C8H16O CAS:19780-65-5 MolWeight:128 RetIndex:868
CompName:2-Pentanone, 3-ethyl-3-methyl- $$ 3-Ethyl-3-methyl-2-pentanone $$
100 43
80 O
60
40 85
20 27 57
15 100
38 51 65 77 113 128

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580

5 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:5 R.Time:18.495(Scan#:1300) MassPeaks:351
RawMode:Averaged 18.490-18.500(1299-1301) BasePeak:83.10(94556)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 43 83
80
60
40 41
20 56 84
30 100 116 133145157 171 191 207 221 247 268 293 308 330 356 373 388 403 427 444 461 476 502 524 540 572584

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:1588 Library:NIST14s.lib
SI:89 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
Hit#:2 Entry:1726 Library:NIST14.lib
SI:89 Formula:C6H10O CAS:763-93-9 MolWeight:98 RetIndex:762
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
Hit#:3 Entry:6533 Library:NIST14.lib
SI:89 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
Hit#:4 Entry:1687 Library:NIST14s.lib
SI:88 Formula:C7H14 CAS:625-65-0 MolWeight:98 RetIndex:638
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
67
15 26 36 51 59 81 96

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:6657 Library:NIST14.lib
SI:88 Formula:C8H14O CAS:53252-21-4 MolWeight:126 RetIndex:873
CompName:4-Hexen-2-one, 3,4-dimethyl- $$ (4E)-3,4-Dimethyl-4-hexen-2-one # $$
100 55
43
80
83
60
40
O
20 111
27
56 67 79 126
25 3744 91 108

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580

6 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:6 R.Time:27.520(Scan#:3105) MassPeaks:359
RawMode:Averaged 27.515-27.525(3104-3106) BasePeak:95.00(4288)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 95
67 110
80
60
40 41 81 152
137
20 53 123
31 156 178 191 204 222 235 252 267 280 307 326 341 359 385 401 414 443 473 488 501 527 543 564 581 594

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:1 Entry:16949 Library:NIST14.lib
SI:86 Formula:C10H16O CAS:5113-66-6 MolWeight:152 RetIndex:1158
CompName:2-Cyclohexen-1-one, 5-methyl-2-(1-methylethyl)- $$ p-Menth-4-en-3-one $$ 2-Isopropyl-5-methyl-2-cyclohexen-1-one # $$
100 110
80 152
95 O
60
67
40 137
41
81
20 27 43 53 123
70 84 98 112 154

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:2 Entry:9916 Library:NIST14s.lib
SI:86 Formula:C10H16O CAS:5113-66-6 MolWeight:152 RetIndex:1158
CompName:2-Cyclohexen-1-one, 5-methyl-2-(1-methylethyl)- $$ p-Menth-4-en-3-one $$ 2-Isopropyl-5-methyl-2-cyclohexen-1-one # $$
100 110
80 152
O
60 95
40 41 67 137

20 81
27 43 55 123
70

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:3 Entry:16947 Library:NIST14.lib
SI:84 Formula:C10H16O CAS:499-74-1 MolWeight:152 RetIndex:1158
CompName:Carvenone $$ 2-Cyclohexen-1-one, 6-methyl-3-(1-methylethyl)- $$ p-Menth-3-en-2-one $$ 3-Isopropyl-6-methyl-2-cyclohexen-1-one # $$
100 95 110
O
80
60
67 152
40
39
20 27 53 81
43
71 84 103 115 127 143 155

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:4 Entry:9815 Library:NIST14s.lib
SI:82 Formula:C10H16O CAS:5948-04-9 MolWeight:152 RetIndex:1179
CompName:Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, trans- $$ p-Menth-8-en-2-one, trans- $$ trans-Dihydrocarvone $$ Carvone, Dihydro-, trans $$ p-Menth-8-en-2-one, E- $$ 5-Isopropenyl
100 67
80 95

60 O
41 82
40 55 152
109
20 137
27 42 56 70
89 98 117 154

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:5 Entry:9814 Library:NIST14s.lib
SI:82 Formula:C10H16O CAS:5948-04-9 MolWeight:152 RetIndex:1179
CompName:Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, trans- $$ p-Menth-8-en-2-one, trans- $$ trans-Dihydrocarvone $$ Carvone, Dihydro-, trans $$ p-Menth-8-en-2-one, E- $$ 5-Isopropenyl
100 67 95
80
60 O
41 82
40 55 152
109
20 137
43 77 91 105 119
57

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560

7 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:7 R.Time:27.885(Scan#:3178) MassPeaks:288
RawMode:Averaged 27.880-27.890(3177-3179) BasePeak:71.05(15405)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 71
80
93
60
40 43 111
41
20 67 136 154
31 112 140 178 193 221233 252 272 294 313325 343 363 387 413 426 444 465 479 505 526 541 555 571 586

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:18073 Library:NIST14.lib
SI:93 Formula:C10H18O CAS:562-74-3 MolWeight:154 RetIndex:1137
CompName:Terpinen-4-ol $$ 3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)- $$ p-Menth-1-en-4-ol $$ 1-Terpinen-4-ol $$ 4-Carvomenthenol $$ 4-Terpineol $$ 1-Methyl-4-isopropyl-1-cyclohexen
100 71
80 HO
60 111
93
40 43 86
20 55 154
27 39 77 136
15 59 98 119 152

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:18072 Library:NIST14.lib
SI:92 Formula:C10H18O CAS:20126-76-5 MolWeight:154 RetIndex:1137
CompName:3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, (R)- $$ p-Menth-1-en-4-ol, (R)-(-)- $$ (-)-Terpinen-4-ol $$ (-)-4-Terpineol $$ L-terpinen-4-ol $$ L-4-terpineneol $$ L-4-terpineol $$ 1-
100 71
80 HO
60
43 111
93
40
55 86
20 67 136 154
39 53 81
98 110121 139 152

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:10355 Library:NIST14s.lib
SI:92 Formula:C10H18O CAS:562-74-3 MolWeight:154 RetIndex:1137
CompName:Terpinen-4-ol $$ 3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)- $$ p-Menth-1-en-4-ol $$ 1-Terpinen-4-ol $$ 4-Carvomenthenol $$ 4-Terpineol $$ 1-Methyl-4-isopropyl-1-cyclohexen
100 71
80 HO
60 43 93 111
40
55 86
20 27 67 154
77 136
51 107 121

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:10363 Library:NIST14s.lib
SI:91 Formula:C10H18O CAS:20126-76-5 MolWeight:154 RetIndex:1137
CompName:3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, (R)- $$ p-Menth-1-en-4-ol, (R)-(-)- $$ (-)-Terpinen-4-ol $$ (-)-4-Terpineol $$ L-terpinen-4-ol $$ L-4-terpineneol $$ L-4-terpineol $$ 1-
100 71
80 HO
111
60
43
40 93
86
154
20 55 136
77 95 107 121
29 51 65

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:10361 Library:NIST14s.lib
SI:91 Formula:C10H18O CAS:562-74-3 MolWeight:154 RetIndex:1137
CompName:Terpinen-4-ol $$ 3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)- $$ p-Menth-1-en-4-ol $$ 1-Terpinen-4-ol $$ 4-Carvomenthenol $$ 4-Terpineol $$ 1-Methyl-4-isopropyl-1-cyclohexen
100 71
80 HO
60
43 93 111
40
55 86
20 136 154
58 77 119 137
14 29 40 98

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580

8 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:8 R.Time:27.980(Scan#:3197) MassPeaks:289
RawMode:Averaged 27.975-27.985(3196-3198) BasePeak:69.00(14385)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 69
80
60 110
40 41
83 95
20 53
152
30 119 137 165 193 222 251 267 287 304 325 343 360 381 401 431 458470 499 522 540 553 581 599

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:1 Entry:10754 Library:NIST14.lib
SI:83 Formula:C10H18 CAS:0-00-0 MolWeight:138 RetIndex:949
CompName:3-Ethyl-1,5-octadiene $$ (5E)-3-Ethyl-1,5-octadiene # $$
100 69
41
80
60
40
109
20 27 53 95
42 65 77 123 138
32

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:2 Entry:9858 Library:NIST14s.lib
SI:82 Formula:C10H16O CAS:471-15-8 MolWeight:152 RetIndex:1062
CompName:Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1S-(1.alpha.,4.beta.,5.alpha.)]- $$ .beta.-Thujone $$ Isothujone $$ 3-Thujanone, (1S,4S,5R)-(+)- $$ (+)-Isothujone $$ D-.beta
100 81 110
O
80 68
41
60 95

40 55
20 43 152
77 91
57 105 119 137

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:3 Entry:33433 Library:NIST14.lib
SI:82 Formula:C12H25B CAS:0-00-0 MolWeight:180 RetIndex:0
CompName:Cyclooctane, 1-(diethylboryl)- $$ Cyclooctyl(diethyl)borane # $$
100 41 69
80
60 B
40 110
55 82
20 27
51 70 95 151
121 139 180

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:4 Entry:9845 Library:NIST14s.lib
SI:82 Formula:C10H16O CAS:546-80-5 MolWeight:152 RetIndex:1062
CompName:Thujone $$ Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1S-(1.alpha.,4.alpha.,5.alpha.)]- $$ .alpha.-Thujone $$ Thujone, cis $$ 3-Thujanone, (1S,4R,5R)-(-)- $$ Thujon $$
100 81
80 41 68 110
60
95
40 55
27 O
20 43
29 70
56 124 152
84

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:5 Entry:9912 Library:NIST14s.lib
SI:81 Formula:C10H16O CAS:546-80-5 MolWeight:152 RetIndex:1062
CompName:Thujone $$ Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1S-(1.alpha.,4.alpha.,5.alpha.)]- $$ .alpha.-Thujone $$ Thujone, cis $$ 3-Thujanone, (1S,4R,5R)-(-)- $$ Thujon $$
100 81 110
80
67
60 95

40 41
55 O
20 70
27 43
56 124 137 152
84 103112

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590

9 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:9 R.Time:28.465(Scan#:3294) MassPeaks:368
RawMode:Averaged 28.460-28.470(3293-3295) BasePeak:59.00(58129)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 59
80 93
60 121
81
43
40 136
41
20 107
30 140 160 179 193 207 222 244 265 280 295 320 333 360 375 397 418 447459 485 515527 541 566 589

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:10328 Library:NIST14s.lib
SI:94 Formula:C10H18O CAS:98-55-5 MolWeight:154 RetIndex:1143
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
Hit#:2 Entry:18020 Library:NIST14.lib
SI:94 Formula:C10H18O CAS:0-00-0 MolWeight:154 RetIndex:0
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
Hit#:3 Entry:10327 Library:NIST14s.lib
SI:94 Formula:C10H18O CAS:98-55-5 MolWeight:154 RetIndex:1143
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
Hit#:4 Entry:10326 Library:NIST14s.lib
SI:94 Formula:C10H18O CAS:10482-56-1 MolWeight:154 RetIndex:1143
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
Hit#:5 Entry:10329 Library:NIST14s.lib
SI:93 Formula:C10H18O CAS:98-55-5 MolWeight:154 RetIndex:1143
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 93 121 136
60
43
40 81
41
20 55 67
15
27
82 105 122 139 153

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580

10 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:10 R.Time:28.850(Scan#:3371) MassPeaks:322
RawMode:Averaged 28.845-28.855(3370-3372) BasePeak:91.05(1951)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 91
80
79
60
40
41 109
20 67 134
31 142 160 180 198 220 239 264 282 298 316 342 355 375 388 403 429 447 473 489 502 523535 549 575 590

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:9881 Library:NIST14s.lib
SI:88 Formula:C10H16O CAS:3310-02-9 MolWeight:152 RetIndex:1085
CompName:Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, (1.alpha.,3.alpha.,5.alpha.)- $$ (1R,3R,5R)-1-Isopropyl-4-methylenebicyclo[3.1.0]hexan-3-ol $$ 4(10)-Thujen-3-ol, stereoiso
100 92
OH
80
60 81

40 134
41 109
77
20 53 65
27 89 97 123

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:9880 Library:NIST14s.lib
SI:85 Formula:C10H16O CAS:471-16-9 MolWeight:152 RetIndex:1085
CompName:Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, [1S-(1.alpha.,3.beta.,5.alpha.)]- $$ 4(10)-Thujen-3-ol, (1S,3R,5S)-(+)- $$ (+)-Sabinol $$ trans-Sabinol $$ Sabinol $$ Sabino
100 92
OH
80
60 81
41 55
70
40
43 53 109 134
77
20 27 65
8996 120

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:16879 Library:NIST14.lib
SI:85 Formula:C10H16O CAS:3310-02-9 MolWeight:152 RetIndex:1085
CompName:Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, (1.alpha.,3.alpha.,5.alpha.)- $$ (1R,3R,5R)-1-Isopropyl-4-methylenebicyclo[3.1.0]hexan-3-ol $$ 4(10)-Thujen-3-ol, stereoiso
100 92
OH
80
60 81
41
40 109
27 39 53 83 119 134
20 67
15 26 103 117

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:42640 Library:NIST14.lib
SI:85 Formula:C12H18O2 CAS:3536-54-7 MolWeight:194 RetIndex:1224
CompName:Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, acetate $$ 4(10)-Thujen-3-ol, acetate $$ Sabinyl acetate $$ 1-Isopropyl-4-methylenebicyclo[3.1.0]hex-3-yl acetate # $$
100 92
O
80 O
60
40 41 81
79 109 134
53
20 27 70
105 135 153
15 26 175

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:16878 Library:NIST14.lib
SI:83 Formula:C10H16O CAS:471-16-9 MolWeight:152 RetIndex:1085
CompName:Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, [1S-(1.alpha.,3.beta.,5.alpha.)]- $$ 4(10)-Thujen-3-ol, (1S,3R,5S)-(+)- $$ (+)-Sabinol $$ trans-Sabinol $$ Sabinol $$ Sabino
100 92
OH
80
60
81
40 109
43 55 70 79 95 119 134
20
105
29 66 123 137 152

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580

11 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:11 R.Time:29.035(Scan#:3408) MassPeaks:290
RawMode:Averaged 29.030-29.040(3407-3409) BasePeak:84.05(11495)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 84
80
60 83
40 41
139
56
20 111
31 140 154 181 208 221 249 276 297 319 348 361 377 392 415 444 458 489 505 531 548 563 591

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:1 Entry:10379 Library:NIST14s.lib
SI:92 Formula:C10H18O CAS:16721-39-4 MolWeight:154 RetIndex:1175
CompName:2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, trans- $$ (1R,6R)-6-Isopropyl-3-methylcyclohex-2-enol, rel- $$ p-Menth-1-en-3-ol, trans- $$ trans-p-Menth-1-en-3-ol $$ trans-Piperito
100 84
80
60
40 93 139
41 55
20 69 77 91 111 154 OH
27 57 105113

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:2 Entry:18102 Library:NIST14.lib
SI:92 Formula:C10H18O CAS:16721-39-4 MolWeight:154 RetIndex:1175
CompName:2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, trans- $$ (1R,6R)-6-Isopropyl-3-methylcyclohex-2-enol, rel- $$ p-Menth-1-en-3-ol, trans- $$ trans-p-Menth-1-en-3-ol $$ trans-Piperito
100 84
80
60
40
41 93 139
20 27 55
69 77 91 OH
57 105 121 154

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:3 Entry:18103 Library:NIST14.lib
SI:91 Formula:C10H18O CAS:16721-38-3 MolWeight:154 RetIndex:1175
CompName:2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, cis- $$ p-Menth-1-en-3-ol, cis- $$ cis-p-Menth-1-en-3-ol $$ cis-Piperitol $$ 6-Isopropyl-3-methyl-2-cyclohexen-1-ol-, cis- $$ (Z)-Piper
100 84
80
60
40
41 93 139
20 55 OH
27
59 69 91 154
105 119

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:4 Entry:10381 Library:NIST14s.lib
SI:88 Formula:C10H18O CAS:16721-38-3 MolWeight:154 RetIndex:1175
CompName:2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, cis- $$ p-Menth-1-en-3-ol, cis- $$ cis-p-Menth-1-en-3-ol $$ cis-Piperitol $$ 6-Isopropyl-3-methyl-2-cyclohexen-1-ol-, cis- $$ (Z)-Piper
100 84
80
93
60
40 139
41
77 91
20 27 55
69 121 OH
105 154

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:5 Entry:10378 Library:NIST14s.lib
SI:85 Formula:C10H18O CAS:16721-38-3 MolWeight:154 RetIndex:1175
CompName:2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, cis- $$ p-Menth-1-en-3-ol, cis- $$ cis-p-Menth-1-en-3-ol $$ cis-Piperitol $$ 6-Isopropyl-3-methyl-2-cyclohexen-1-ol-, cis- $$ (Z)-Piper
100 84
80
60 41

40 55
79 91 139
20 57
67
105 121 154
OH
50

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560

12 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:12 R.Time:30.415(Scan#:3684) MassPeaks:256
RawMode:Averaged 30.410-30.420(3683-3685) BasePeak:105.05(3617)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 105
80 43 91
148
60
40 77
65 133
20 115
32 166 184 206 230 247 269 284 297 314 342 358 376 401 415 434 453 487 501 522 551 582

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:8819 Library:NIST14s.lib
SI:90 Formula:C10H12O CAS:2550-26-7 MolWeight:148 RetIndex:1228
CompName:2-Butanone, 4-phenyl- $$ Benzylacetone $$ Methyl phenethyl ketone $$ Methyl 2-phenylethyl ketone $$ Phenethyl methyl ketone $$ 1-Phenyl-3-butanone $$ 4-Phenyl-2-butanone $$ M
100 105 148
O
80 91

60
43
40
77
133
20 51 65 78
39 89 101 115 129 150
66

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:8800 Library:NIST14s.lib
SI:89 Formula:C10H12O CAS:2550-26-7 MolWeight:148 RetIndex:1228
CompName:2-Butanone, 4-phenyl- $$ Benzylacetone $$ Methyl phenethyl ketone $$ Methyl 2-phenylethyl ketone $$ Phenethyl methyl ketone $$ 1-Phenyl-3-butanone $$ 4-Phenyl-2-butanone $$ M
100 43 105
148 O
80
91
60
40
77
20 51 104 133
27 39 115 129 146
62 74 89

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:14994 Library:NIST14.lib
SI:89 Formula:C10H12O CAS:769-59-5 MolWeight:148 RetIndex:1164
CompName:2-Butanone, 3-phenyl- $$ 3-Phenyl-2-butanone # $$
100 43 105 148
O
80 91
60
40
77 133
20 65
27 38 51 115 129
73 85 101

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:14951 Library:NIST14.lib
SI:88 Formula:C10H12O CAS:0-00-0 MolWeight:148 RetIndex:1262
CompName:3-Buten-2-ol, 4-phenyl-, (E)- $$ (3E)-4-Phenyl-3-buten-2-ol # $$
100 105
80 43 148 OH
60 91

40 133
55 77
115
51
20 27 63 128
80 98 108 150

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:14908 Library:NIST14.lib
SI:88 Formula:C10H12O CAS:2550-26-7 MolWeight:148 RetIndex:1228
CompName:2-Butanone, 4-phenyl- $$ Benzylacetone $$ Methyl phenethyl ketone $$ Methyl 2-phenylethyl ketone $$ Phenethyl methyl ketone $$ 1-Phenyl-3-butanone $$ 4-Phenyl-2-butanone $$ M
100 43
105 O
80 148
91
60
40
20 51
77
104 133
15 27 39 63 86 115 128

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580

13 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:13 R.Time:30.785(Scan#:3758) MassPeaks:259
RawMode:Averaged 30.780-30.790(3757-3759) BasePeak:82.05(8324)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 82
80
60
40 54
41 95 152
20 69 109
31 124 137 167 190 209 233 247 265 282 305 324 341 355 380 395 414 433 448 469 487499 518 538 557569 591

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:16858 Library:NIST14.lib
SI:93 Formula:C10H16O CAS:499-71-8 MolWeight:152 RetIndex:1158
CompName:2-Cyclohexen-1-one, 2-methyl-5-(1-methylethyl)-, (S)- $$ p-Menth-6-en-2-one, (S)-(+)- $$ (+)-Carvotanacetone $$ Carvotanacetone, (+)- $$
100 82
80
60
40
152 O
20 41 54 69 95 109
27 43 57 84 103 123 137 154

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:9865 Library:NIST14s.lib
SI:92 Formula:C10H16O CAS:499-71-8 MolWeight:152 RetIndex:1158
CompName:2-Cyclohexen-1-one, 2-methyl-5-(1-methylethyl)-, (S)- $$ p-Menth-6-en-2-one, (S)-(+)- $$ (+)-Carvotanacetone $$ Carvotanacetone, (+)- $$
100 82
80
60
40 81
152 O
41 54
20 27 43
69 95 109
15 59 105 121 137

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:16861 Library:NIST14.lib
SI:85 Formula:C10H16O CAS:89-81-6 MolWeight:152 RetIndex:1158
CompName:2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)- $$ p-Menth-1-en-3-one $$ Piperitone $$ 3-Carvomenthenone $$ 1-Methyl-4-isopropyl-1-cyclohexen-3-one $$ 6-Isopropyl-3-methyl-2
100 82
80 110
O
60
40 39
27 95
20 54 137 152
24 43 65 83
105 119 139

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:9868 Library:NIST14s.lib
SI:83 Formula:C10H16O CAS:89-81-6 MolWeight:152 RetIndex:1158
CompName:2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)- $$ p-Menth-1-en-3-one $$ Piperitone $$ 3-Carvomenthenone $$ 1-Methyl-4-isopropyl-1-cyclohexen-3-one $$ 6-Isopropyl-3-methyl-2
100 82
80
110 O
60
40 95
54 137
20 39 152
55 67 83 111 124
29 97

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:9867 Library:NIST14s.lib
SI:83 Formula:C10H16O CAS:89-81-6 MolWeight:152 RetIndex:1158
CompName:2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)- $$ p-Menth-1-en-3-one $$ Piperitone $$ 3-Carvomenthenone $$ 1-Methyl-4-isopropyl-1-cyclohexen-3-one $$ 6-Isopropyl-3-methyl-2
100 82
110
80
O
60
40 95
137
20 39 54 152
27 43 67 124
56 84 103112 140

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580

14 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:14 R.Time:31.085(Scan#:3818) MassPeaks:227
RawMode:Averaged 31.080-31.090(3817-3819) BasePeak:82.00(2080809)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 82
80 110
60 95

40
39 54 137
20 67
152 124
30 181 196 220232 247259 275 288 301 317 340 358 372 388 419 437 457 489 516 532 553565 593

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:16861 Library:NIST14.lib
SI:94 Formula:C10H16O CAS:89-81-6 MolWeight:152 RetIndex:1158
CompName:2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)- $$ p-Menth-1-en-3-one $$ Piperitone $$ 3-Carvomenthenone $$ 1-Methyl-4-isopropyl-1-cyclohexen-3-one $$ 6-Isopropyl-3-methyl-2
100 82
80 110
O
60
40 39
27 95
20 54 137 152
24 43 65 83
105 119 139

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:9868 Library:NIST14s.lib
SI:94 Formula:C10H16O CAS:89-81-6 MolWeight:152 RetIndex:1158
CompName:2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)- $$ p-Menth-1-en-3-one $$ Piperitone $$ 3-Carvomenthenone $$ 1-Methyl-4-isopropyl-1-cyclohexen-3-one $$ 6-Isopropyl-3-methyl-2
100 82
80
110 O
60
40 95
54 137
20 39 152
55 67 83 111 124
29 97

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:9867 Library:NIST14s.lib
SI:93 Formula:C10H16O CAS:89-81-6 MolWeight:152 RetIndex:1158
CompName:2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)- $$ p-Menth-1-en-3-one $$ Piperitone $$ 3-Carvomenthenone $$ 1-Methyl-4-isopropyl-1-cyclohexen-3-one $$ 6-Isopropyl-3-methyl-2
100 82
110
80
O
60
40 95
137
20 39 54 152
27 43 67 124
56 84 103112 140

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:9869 Library:NIST14s.lib
SI:92 Formula:C10H16O CAS:89-81-6 MolWeight:152 RetIndex:1158
CompName:2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)- $$ p-Menth-1-en-3-one $$ Piperitone $$ 3-Carvomenthenone $$ 1-Methyl-4-isopropyl-1-cyclohexen-3-one $$ 6-Isopropyl-3-methyl-2
100 82
110
80
95 O
60
40
41 137
20 54 67
152
52 91 108 124
18 27 69

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:9866 Library:NIST14s.lib
SI:92 Formula:C10H16O CAS:89-81-6 MolWeight:152 RetIndex:1158
CompName:2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)- $$ p-Menth-1-en-3-one $$ Piperitone $$ 3-Carvomenthenone $$ 1-Methyl-4-isopropyl-1-cyclohexen-3-one $$ 6-Isopropyl-3-methyl-2
100 82
80 110
O
60
40
41 95
137
20 54
67
152
59 91 105 119
133 147

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580

15 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:15 R.Time:34.120(Scan#:4425) MassPeaks:280
RawMode:Averaged 34.115-34.125(4424-4426) BasePeak:121.10(21832)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 93 121
80
60 79 107
40 41 67
55 136
20 161
30 147 176 189 207 236 260 291 314 331 351 366 381 400 414 431 460 480492 508 530 558 584 600

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:1 Entry:49981 Library:NIST14.lib
SI:91 Formula:C15H24 CAS:24703-35-3 MolWeight:204 RetIndex:0
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 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:2 Entry:49980 Library:NIST14.lib
SI:91 Formula:C15H24 CAS:3242-08-8 MolWeight:204 RetIndex:1431
CompName:Cyclohexane, 1-ethenyl-1-methyl-2-(1-methylethenyl)-4-(1-methylethylidene)- $$ o-Menth-8-ene, 4-isopropylidene-1-vinyl- $$ Elixene $$ 2-Isopropenyl-1-methyl-4-(1-methylethyliden
100 121
80 93

60
107
40 79
41 91 136
20 43 55 67
122 161
27 147 162 189 204

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:3 Entry:49977 Library:NIST14.lib
SI:89 Formula:C15H24 CAS:29873-99-2 MolWeight:204 RetIndex:1431
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 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:4 Entry:49979 Library:NIST14.lib
SI:89 Formula:C15H24 CAS:0-00-0 MolWeight:204 RetIndex:0
CompName:Elemene isomer
100 121
80
60 93

40 107
79 136
20 41 94 119
55 65 161
29 39 147 189
176

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:5 Entry:19161 Library:NIST14s.lib
SI:89 Formula:C15H24 CAS:3242-08-8 MolWeight:204 RetIndex:1431
CompName:Cyclohexane, 1-ethenyl-1-methyl-2-(1-methylethenyl)-4-(1-methylethylidene)- $$ o-Menth-8-ene, 4-isopropylidene-1-vinyl- $$ Elixene $$ 2-Isopropenyl-1-methyl-4-(1-methylethyliden
100 121
80
93
60
41 107
40
55 67 79 119 136 161
20 27
39 147 189 204
175

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590

16 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:16 R.Time:34.540(Scan#:4509) MassPeaks:339
RawMode:Averaged 34.535-34.545(4508-4510) BasePeak:121.10(2743)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 121
93
80 43

60
40 67 81
136

20 107
31 40 151 172 191 204 221 246 268 282 302 325 347 365 379 392 414 441 467 485 514 529 542 569 582 599

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:44127 Library:NIST14.lib
SI:89 Formula:C12H20O2 CAS:80-26-2 MolWeight:196 RetIndex:1333
CompName:.alpha.-Terpinyl acetate $$ 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetate $$ p-Menth-1-en-8-ol, acetate $$ .alpha.-Terpineol acetate $$ Terpinyl acetate $$ 1-Methyl-1-
100 43 121 O
93
80 136 O
60
40 68
20 81 107
27 53
15 82 109 135 181

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:17817 Library:NIST14s.lib
SI:88 Formula:C12H20O2 CAS:80-26-2 MolWeight:196 RetIndex:1333
CompName:.alpha.-Terpinyl acetate $$ 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetate $$ p-Menth-1-en-8-ol, acetate $$ .alpha.-Terpineol acetate $$ Terpinyl acetate $$ 1-Methyl-1-
100 121 O
80 93 O
136
60
40 43

20 67 79 107
53
15 26 133 163 181

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:17785 Library:NIST14s.lib
SI:87 Formula:C12H20O2 CAS:80-26-2 MolWeight:196 RetIndex:1333
CompName:.alpha.-Terpinyl acetate $$ 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetate $$ p-Menth-1-en-8-ol, acetate $$ .alpha.-Terpineol acetate $$ Terpinyl acetate $$ 1-Methyl-1-
100 43 O
121
80 93 O
60 136

40
59
20 27 67 81 92 107
53 139
119 181

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:18125 Library:NIST14.lib
SI:86 Formula:C10H18O CAS:586-81-2 MolWeight:154 RetIndex:1191
CompName:Cyclohexanol, 1-methyl-4-(1-methylethylidene)- $$ .gamma.-Terpineol $$ 1-Methyl-4-(1-methylethylidene)cyclohexanol # $$
100 93 121
80
OH
43
136
60
40 81
41 91
20 77
55 69
27 105
57 127 154

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:17818 Library:NIST14s.lib
SI:85 Formula:C12H20O2 CAS:80-26-2 MolWeight:196 RetIndex:1333
CompName:.alpha.-Terpinyl acetate $$ 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetate $$ p-Menth-1-en-8-ol, acetate $$ .alpha.-Terpineol acetate $$ Terpinyl acetate $$ 1-Methyl-1-
100 121 O
80 93 O
136
60
40
43
20 67 79
41 53 105 122 139
82 163 181

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580

17 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:17 R.Time:44.945(Scan#:6590) MassPeaks:324
RawMode:Averaged 44.940-44.950(6589-6591) BasePeak:149.00(23719)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 149
80
60
40
20 177
65 76 93 105 121
31 39 50 164 189 208 233 251 265 281 299 316 343355 373 401 422 447 461 477 503 517529 549561 581

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:21543 Library:NIST14s.lib
SI:95 Formula:C12H14O4 CAS:84-66-2 MolWeight:222 RetIndex:1639
CompName:Diethyl Phthalate $$ 1,2-Benzenedicarboxylic acid, diethyl ester $$ Phthalic acid, diethyl ester $$ o-Benzenedicarboxylic acid, diethyl ester $$ Anozol $$ Ethyl phthalate $$ Neantine $$
100 149
80 O

60 O
O
40
177 O
20 29 65 76 93 105 121
39 50 152 194 222

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:63800 Library:NIST14.lib
SI:95 Formula:C12H14O4 CAS:84-66-2 MolWeight:222 RetIndex:1639
CompName:Diethyl Phthalate $$ 1,2-Benzenedicarboxylic acid, diethyl ester $$ Phthalic acid, diethyl ester $$ o-Benzenedicarboxylic acid, diethyl ester $$ Anozol $$ Ethyl phthalate $$ Neantine $$
100 149
80 O

60 O
O
40
177 O
20 76 93 105
15 29 39 50 63 119 132 164 194 222

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:21542 Library:NIST14s.lib
SI:94 Formula:C12H14O4 CAS:84-66-2 MolWeight:222 RetIndex:1639
CompName:Diethyl Phthalate $$ 1,2-Benzenedicarboxylic acid, diethyl ester $$ Phthalic acid, diethyl ester $$ o-Benzenedicarboxylic acid, diethyl ester $$ Anozol $$ Ethyl phthalate $$ Neantine $$
100 149
80 O

60 O
O
40
177 O
20 76
50 93 104 121
63 135 164 194 222

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:21544 Library:NIST14s.lib
SI:92 Formula:C12H14O4 CAS:84-66-2 MolWeight:222 RetIndex:1639
CompName:Diethyl Phthalate $$ 1,2-Benzenedicarboxylic acid, diethyl ester $$ Phthalic acid, diethyl ester $$ o-Benzenedicarboxylic acid, diethyl ester $$ Anozol $$ Ethyl phthalate $$ Neantine $$
100 149
80 O

60 O
O
40
177 O
20 65 76
29 93 105 121
15 39 50 152 194 222

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:21541 Library:NIST14s.lib
SI:91 Formula:C12H14O4 CAS:84-66-2 MolWeight:222 RetIndex:1639
CompName:Diethyl Phthalate $$ 1,2-Benzenedicarboxylic acid, diethyl ester $$ Phthalic acid, diethyl ester $$ o-Benzenedicarboxylic acid, diethyl ester $$ Anozol $$ Ethyl phthalate $$ Neantine $$
100 149
80 O

60 O
O
40 177
O
20 29 65 76
93 105
39 50 64 222
119 132 159 194

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580

18 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:18 R.Time:68.660(Scan#:11333) MassPeaks:399
RawMode:Averaged 68.655-68.665(11332-11334) BasePeak:57.05(114574)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 57 71
80 85
60 43

40 99
41 113
20 127
155
30 183 211 239 267 295 323 341356371 398 415 433 456 489 506 523 539 558 582

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740
Hit#:1 Entry:239932 Library:NIST14.lib
SI:94 Formula:C44H90 CAS:7098-22-8 MolWeight:618 RetIndex:4395
CompName:Tetratetracontane $$ n-Tetratetracontane $$
100 57
80 71
43
60
85
40
20 41 99
113 141
27 169 197211 239 267 295 323 351 379 407 435 463 491 519 547 575 603 618

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740
Hit#:2 Entry:33075 Library:NIST14s.lib
SI:94 Formula:C32H66 CAS:544-85-4 MolWeight:450 RetIndex:3202
CompName:Dotriacontane $$ n-Dotriacontane $$ Bicetyl $$
100 57
80
71 85
60
43
40
99
20 113
41 141 169
27 197211 239 267 295 323 351 379 407 450
435

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740
Hit#:3 Entry:237196 Library:NIST14.lib
SI:94 Formula:C30H61I CAS:0-00-0 MolWeight:548 RetIndex:0
CompName:Triacontane, 1-iodo-
100 57
80 71

60 43
85
I

40
41 99
20 113
141
27 169 197211 239 421
267 295 323 351

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740
Hit#:4 Entry:186372 Library:NIST14.lib
SI:93 Formula:C26H54 CAS:629-87-8 MolWeight:366 RetIndex:0
CompName:2-Methylpentacosane $$ Pentacosane, 2-methyl- $$
100 57 71
80
60 43 85

40
99
41 113 323
20 141 169 197211 239 267
27 295 337 366

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740
Hit#:5 Entry:33752 Library:NIST14s.lib
SI:93 Formula:C54H110 CAS:5856-66-6 MolWeight:758 RetIndex:5389
CompName:Tetrapentacontane
100 57 71
80
85
60
40 43
99
20 113
141
41 169 197211 239 267
27 295 323 351 379 407 435 463 491 519 547 575 603 631 659 687 715 743

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740

19 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:19 R.Time:70.325(Scan#:11666) MassPeaks:330
RawMode:Averaged 70.320-70.330(11665-11667) BasePeak:55.05(566)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 55 73
207
80 95
60 145 165
253 283
32 110 123
40 39 60 193 210
130
233 251 270 300 314 329 523
20 354 370 395
409 428 447 484 504 542 564 581 595
470

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:1 Entry:53675 Library:NIST14.lib
SI:43 Formula:C11H19N3O CAS:10281-41-1 MolWeight:209 RetIndex:1850
CompName:Semicarbazide, 4-(1,7,7-trimethylbicyclo[2.2.1]heptyl-2-ideno)- $$ Hydrazinecarboxamide, 2-(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)- $$ 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-o
100 95
80 123 150 166
41
55 67 81 106
60 39 181
NH O
27 77 N
40
149 209
20 110 210 NH2
177 194

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:2 Entry:41457 Library:NIST14.lib
SI:42 Formula:C10H11NO3 CAS:0-00-0 MolWeight:193 RetIndex:1703
CompName:1H-Pyrrole-2,5-dione, dihydro-1-[(5-methyl-2-furanyl)methyl]-
100 55 95
193
80 43 O O
122
60 150 N
40
108
20
56 79 110 O
65 136 164
34 83
178

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:3 Entry:200046 Library:NIST14.lib
SI:42 Formula:C23H32O5 CAS:38302-05-5 MolWeight:388 RetIndex:2696
CompName:1.alpha.-(Acetoxymethyl)-7.alpha.,8.alpha.-dimethyl-7-(2-(3-furyl)ethyl)bicyclo(4.4.0)dec-2-ene-2-carboxylic acid methyl ester $$ 1.alpha.-(Acetoxymethyl)-7.alpha.,8.alpha.-dimethyl-7
100 81
43 O
O O
80 41 91
O
60
69 105 149 283 315
40 163 219 233
119
131 173 189 201
20 261
294 356
O
30 328 388

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:4 Entry:54560 Library:NIST14.lib
SI:41 Formula:C12H18O3 CAS:0-00-0 MolWeight:210 RetIndex:1907
CompName:1-Oxacyclododec-6-ene-2,10-dione, 7-methyl- $$ 7-Methyloxacyclododec-6-ene-2,10-dione # $$
100 95
80 55 O
81
60
41 210 O
67 110
40
27 43 123 137 O
20 82 168 192
119 150
180 212

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:5 Entry:145895 Library:NIST14.lib
SI:40 Formula:C20H28OS CAS:0-00-0 MolWeight:316 RetIndex:2381
CompName:Bicyclo[4.1.0]heptane, 1-(3-oxo-4-phenylthiobutyl)-2,2,6-trimethyl- $$ 1-(Phenylsulfanyl)-4-(2,2,6-trimethylbicyclo[4.1.0]hept-1-yl)-2-butanone # $$
100 123 150 166
80
95 O
60 55 69 81
41 S
109 135
40
207
189 316
20 27 175 218
233 247 273 287 302

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560

20 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:20 R.Time:71.855(Scan#:11972) MassPeaks:306
RawMode:Averaged 71.850-71.860(11971-11973) BasePeak:91.05(937)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 91 117 135
80
55
60 41 57
81 207
40
148 178 213 226 241 355 381 401
20 101
254 267 290 309 329
368 415
429 475
500 513 529
30 458 555 570

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:1 Entry:174745 Library:NIST14.lib
SI:50 Formula:C20H30O5 CAS:5508-58-7 MolWeight:350 RetIndex:2944
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

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:2 Entry:212314 Library:NIST14.lib
SI:49 Formula:C26H38O4 CAS:0-00-0 MolWeight:414 RetIndex:0
CompName:Succinic acid, tridec-2-yn-1-yl 1-phenylpropyl ester
100 119 135
80
91
60 O
O

40 O

81
20 41 55 67 101
27 141 161 195 218 252 268 285 314

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:3 Entry:60796 Library:NIST14.lib
SI:49 Formula:C15H22O CAS:3650-40-6 MolWeight:218 RetIndex:0
CompName:2-((2R,4aR,8aS)-4a-Methyl-8-methylenedecahydronaphthalen-2-yl)acrylaldehyde $$ 2-Naphthaleneacetaldehyde, decahydro-4a-methyl-.alpha.,8-bis(methylene)-, (2R,4aR,8aS)- $$ 2-N
100 55
41 121
80 67 83
97
60
105
40 53
111
147 O
133 161 175 H
20 29 190 203 218

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:4 Entry:75466 Library:NIST14.lib
SI:48 Formula:C15H24O2 CAS:0-00-0 MolWeight:236 RetIndex:1748
CompName:Methanol, [6,8,9-trimethyl-4-(1-propenyl)-3-oxabicyclo[3.3.1]non-6-en-1-yl]- $$ (6,8,9-Trimethyl-4-[(1E)-1-propenyl]-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol # $$
100 41 121
69 133
80 107

60 55 O
81 91
40 119
53
20 149 187 HO
163 175 205 218 236

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:5 Entry:166062 Library:NIST14.lib
SI:48 Formula:C15H23Cl3O2 CAS:0-00-0 MolWeight:340 RetIndex:2084
CompName:Trichloroacetic acid, tridec-2-ynyl ester
100 79 93
43
80
41 69
60 121 O
Cl
O
107 Cl
40 135
Cl

20 27 149
163 178 195 207 228
241 255 270 286

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560

21 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:21 R.Time:72.695(Scan#:12140) MassPeaks:299
RawMode:Averaged 72.690-72.700(12139-12141) BasePeak:73.00(1228)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 73
80 121
133
60 221
40 41 57 341
157 191 282
45 96
20 152 173 198 229 251 327 355 387
274 294 314 368 409 428 453465 482 494 523 550 564 581 593
33

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:191963 Library:NIST14.lib
SI:45 Formula:C23H38O2Si CAS:21414-47-1 MolWeight:374 RetIndex:2301
CompName:Isopimaric acid, TMS $$ Podocarp-7-en-15-oic acid, 13.beta.-methyl-13-vinyl-, trimethylsilyl ester $$ Isopimaric acid TMS ester $$
100 73
80 256
241
60
40
41 55 O
69 91 109 121 359
20 143 159 187 201 Si O
173 213 227 345 374

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:191962 Library:NIST14.lib
SI:44 Formula:C23H38O2Si CAS:21414-46-0 MolWeight:374 RetIndex:2301
CompName:Pimaric acid, TMS derivative $$ Pimaric acid TMS $$ Pimaric acid, TMS $$ Podocarp-8(14)-en-15-oic acid, 13-methyl-13-vinyl-, trimethylsilyl ester $$ Pimaric acid TMS ester $$
100 73
80
121
60
40
257 O
20 41 55 91 109 359 374 Si O
67 133 148 239
161 173 187 199 213 227

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:239491 Library:NIST14.lib
SI:43 Formula:C42H64O2 CAS:13833-01-7 MolWeight:600 RetIndex:4129
CompName:.psi.,.psi.-Carotene, 1,1',2,2'-tetrahydro-1,1'-dimethoxy- $$ Lycopene, 1,1',2,2'-tetrahydro-1,1'-dimethoxy-, all-trans- $$ 3,3',4,4'-Tetrahydrospirilloxanthin $$ Tetrahydrospirilloxanthin $
100 73
80
60 69 91 105 O

40 41 55 119 145
157
133 171183
20 209
225 249261 275 301 321333 347359 378 399 430442 456 476 494 508 521 536 552 568
13

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:75467 Library:NIST14.lib
SI:42 Formula:C15H24O2 CAS:0-00-0 MolWeight:236 RetIndex:0
CompName:Hexanoic acid, 3-(2,2,3,3-tetramethylcyclopropylidenmethylidene)-4-methyl- $$ 3-Sec-butyl-4-(2,2,3,3-tetramethylcyclopropylidene)-3-butenoic acid # $$
100 41
O
80 161 HO
57
60 73 119
91 105 133 221
40 C
69 147
20 151
179 193 236
103 205
33 237

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:181022 Library:NIST14.lib
SI:42 Formula:C23H38OSi CAS:16729-17-2 MolWeight:358 RetIndex:2280
CompName:Retinol, TMS derivative $$ Silane, [[3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenyl]oxy]trimethyl-, all-(E)- $$
100 73
80 130

60 O
Si

40 168
69
41 55
105 119 255
20 91 145 157 358
185 199 221 268
239 285 343

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580

22 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:22 R.Time:73.385(Scan#:12278) MassPeaks:301
RawMode:Averaged 73.380-73.390(12277-12279) BasePeak:133.05(975)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 133
79
80 147
96
60 119 341
191 281
40 65 176 209
355 396
110 159 250 327
20 42 221 264 304 366 387 415 476 489
30 320 431 446 511 526 550 571 585

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:192050 Library:NIST14.lib
SI:53 Formula:C25H42O2 CAS:66990-32-7 MolWeight:374 RetIndex:2897
CompName:10-12-Pentacosadiynoic acid $$ 10,12-Pentacosadiynoic acid $$
100 41 91
80 119
67 79
105 133
60 O

OH

40
147 161
20
175 187 205217 232 261 275 289 374

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:33420 Library:NIST14.lib
SI:52 Formula:C12H20O CAS:73495-60-0 MolWeight:180 RetIndex:1431
CompName:(7R)-cis-anti-cis-Tricyclo[7.3.0.0(2,6)]dodecan-7-ol $$ Dodecahydro-as-indacen-4-ol # $$
100 67 133 162
119
80 79
94

60 41 93
121
40 55
39 66 105
20 29
147 HO
178

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:199214 Library:NIST14.lib
SI:51 Formula:C28H50 CAS:24643-46-7 MolWeight:386 RetIndex:2839
CompName:13,15-Octacosadiyne
100 81 121
43 67 91
80
107 133
60 41
147 161
40
175 217 273
20 192 205 231 287 301
27 245 259 315 329 343
357 371
386
15

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:117239 Library:NIST14.lib
SI:51 Formula:C20H28O CAS:116-31-4 MolWeight:284 RetIndex:2184
CompName:Retinal $$ Vitamin A aldehyde $$ Retinal, all-trans- $$ All-trans-Retinal $$ All-trans-Retinaldehyde $$ trans-Retinal $$ trans-Vitamin A aldehyde $$ Axerophthal $$ E-Retinal $$ Retina
100 91
80 69 105 119
55
60 81
O
40 133
145 159 177
20 173 195 223 251 266 284

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:33231 Library:NIST14s.lib
SI:51 Formula:C32H54O2 CAS:4575-74-0 MolWeight:470 RetIndex:2907
CompName:9,19-Cyclolanostan-3-ol, acetate, (3.beta.)- $$ 9,19-Cyclo-9.beta.-lanostan-3.beta.-ol, acetate $$ Cycloartanyl acetate $$ 3-O-Acetyl-5a-dihydrocycloartenol $$ 1-(1,5-Dimethylhexyl)-3
100 43
80 O

60 O

40 95
41 81 107
57
20 121 133
147 161 175
189 201 220 410
14 241 260 283 302 325 343355367 381 395 456 471

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580

23 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:23 R.Time:73.575(Scan#:12316) MassPeaks:307
RawMode:Averaged 73.570-73.580(12315-12317) BasePeak:81.05(720)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 67 81 161
80 131
147
213
60 93 107 120 189201
169
40 43
225 243 267 342 355
39 280 536
20 301 325 429 447
31 371 398 465 477 498 513 554 580 595

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:149527 Library:NIST14.lib
SI:43 Formula:C21H36O2 CAS:56053-10-2 MolWeight:320 RetIndex:2334
CompName:Pregnane-18,20-diol, (5.alpha.)- $$ Pregnane-18,20-diol # $$
100 67 81
HO OH
80
79 95
109
60
149 H
40 121 135 243 258 H H
161 175
20 271 H
189 201 215 229
284 302

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:34613 Library:NIST14.lib
SI:43 Formula:C11H18O2 CAS:91965-66-1 MolWeight:182 RetIndex:1534
CompName:1(2H)-Naphthalenone, octahydro-6-hydroxy-8a-methyl- $$ 6-Hydroxy-8a-methyloctahydro-1(2H)-naphthalenone # $$
100 93
O
80 120
60 41
55 67 79 107
131 164 182
40 146
27 91 HO
20 57 H
31 167 183

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:199214 Library:NIST14.lib
SI:42 Formula:C28H50 CAS:24643-46-7 MolWeight:386 RetIndex:2839
CompName:13,15-Octacosadiyne
100 81 121
43 67 91
80
107 133
60 41
147 161
40
175 217 273
20 192 205 231 287 301
27 245 259 315 329 343
357 371
386

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:226256 Library:NIST14.lib
SI:42 Formula:C30H56OSi CAS:55331-93-6 MolWeight:460 RetIndex:2643
CompName:Cholestan-3-ol, (3.alpha.,5.beta.)-, TMS derivative $$ Silane, [[(3.alpha.,5.beta.)-cholestan-3-yl]oxy]trimethyl- $$ 3-[(Trimethylsilyl)oxy]cholestane # $$
100 75
370
80 215
60
95
40 43 57 107 H
355
41 121 135 147 161 257 H H
20 175 201 230 274 316
Si
187 445 O H
27 247 285 301 328 342 389 403 427 460

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:221771 Library:NIST14.lib
SI:42 Formula:C32H58 CAS:67471-17-4 MolWeight:442 RetIndex:3237
CompName:15,17-Dotriacontadiyne
100 121
43 81
80 67 95
60 107 133
41 147 161
40 175 245 301
20 189 208 220 233 259 315 329
27 273 287 343 357
371 385 399 413 427 442

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580

24 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:24 R.Time:73.665(Scan#:12334) MassPeaks:306
RawMode:Averaged 73.660-73.670(12333-12335) BasePeak:95.05(899)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 95 207
80 107
119
60 148 161 193 267
55
40 79 137 221
342 429
171 257 284 355 369 401 416 489
20 32 240 462
303 332 558
30
445 496 512 524 541 577

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:64362 Library:NIST14.lib
SI:47 Formula:C15H26O CAS:99481-30-8 MolWeight:222 RetIndex:1593
CompName:1,4-Methanoazulen-3-ol, decahydro-1,5,5,8a-tetramethyl-, [1S-(1.alpha.,3.beta.,3a.beta.,4.alpha.,8a.beta.)]-
100 85 95 204
80
119 189 HO
60 69
43
40
29 41 55 108 121 137
151 222
20 179
165 208

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:21663 Library:NIST14s.lib
SI:46 Formula:C15H26O CAS:465-24-7 MolWeight:222 RetIndex:1593
CompName:1,4-Methanoazulen-9-ol, decahydro-1,5,5,8a-tetramethyl-, [1R-(1.alpha.,3a.beta.,4.alpha.,8a.beta.,9S*)]- $$ Longiborneol $$ Juniperol $$
100 85
95
80 41
60 55 69 119
43
189
40 107
204
121 133
20 29
151 OH
165 179 208 222

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:99256 Library:NIST14.lib
SI:46 Formula:C17H28O2 CAS:57082-24-3 MolWeight:264 RetIndex:0
CompName:Tricyclo[6.3.1.0(2,5)-]dodecan-1-ol, 4,4,8-trimethyl-, acetate, [1R-(1.alpha.,2.alpha.,5.beta.,8.beta.)]-
100 43 161
111
80 189
55
60 69 81 H
93 133 148
40 166 204 O
O
20 H
29 208
15 222 249 264

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:21705 Library:NIST14s.lib
SI:44 Formula:C15H26O CAS:5956-09-2 MolWeight:222 RetIndex:1514
CompName:2H-3,9a-Methano-1-benzoxepin, octahydro-2,2,5a,9-tetramethyl-, [3R-(3.alpha.,5a.alpha.,9.alpha.,9a.alpha.)]- $$ (3R,5aS,9R,9aS)-2,2,5a,9-Tetramethyloctahydro-2H-3,9a-methanoben
100 207
41 137
80 55
109
69
60 189 O
81 95 149
40 123
93 161
53
20
179 222
194

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:64339 Library:NIST14.lib
SI:44 Formula:C15H26O CAS:58319-05-4 MolWeight:222 RetIndex:0
CompName:(1S,2R,5R)-2-Methyl-5-((R)-6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexan-2-ol $$ Bicyclo[3.1.0]hexan-2-ol, 5-[(1R)-1,5-dimethyl-4-hexen-1-yl]-2-methyl-, (1S,2R,5R)- $$ Bicyclo[3.1.
100 69 82 H
80
119
60 43
93
55
40 109 HO
20 53 137 H
207
29 151
165 179 222

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580

25 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:25 R.Time:73.815(Scan#:12364) MassPeaks:291
RawMode:Averaged 73.810-73.820(12363-12365) BasePeak:147.05(907)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 95 147
67
80 44
135
60 70 163 203 265
121
40 41 241 282 344 396
192 221
20 30 106 417
273 300 447 459 475 491 565
324 362 374 511 523 537 581 596

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:1 Entry:241127 Library:NIST14.lib
SI:43 Formula:C47H82O2 CAS:0-00-0 MolWeight:678 RetIndex:4469
CompName:Stigmast-5-en-3-ol, oleate $$ Stigmast-5-en-3-yl (9Z)-9-octadecenoate # $$
100 147 396
80 382
43 81
60
69 95
H
41 255 H
H
40 107 121 133 161 288 O
213
275 367
20
O

27 175 199 228 241 296 311 325 340 354 412

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:2 Entry:32290 Library:NIST14.lib
SI:42 Formula:C9H13N3O CAS:93271-62-6 MolWeight:179 RetIndex:1590
CompName:Penta-2,4-dienamide, 2-cyano-3-methyl-5-dimethylamino- $$ (2Z,4Z)-2-Cyano-5-(dimethylamino)-3-methyl-2,4-pentadienamide # $$
100 179
80 56
O N
44 135
96
60 42 H2N
40
20 65
81 90 119 162 180 N
33 107
131 147

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:3 Entry:60834 Library:NIST14.lib
SI:41 Formula:C15H22O CAS:19902-38-6 MolWeight:218 RetIndex:1744
CompName:Cyclopentanol, 3,3,4-trimethyl-4-p-tolyl-, (R,R)-(+)- $$ 3,3,4-Trimethyl-4-(4-methylphenyl)cyclopentanol # $$
100 119
147
80 132
41
60
71 162
40 57 85
105
120 218
29 43 OH
20 185 200
170 219

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:4 Entry:231953 Library:NIST14.lib
SI:41 Formula:C31H53ClO2 CAS:55724-19-1 MolWeight:492 RetIndex:2992
CompName:Stigmastan-3-ol, 5-chloro-, acetate, (3.beta.,5.alpha.)- $$ 5-Chlorostigmastan-3-yl acetate # $$
100 147 95
80 105 255 396
81
69
60 213
121 133
40 161
275 288
H
60 H H
228
20 173
185
199
381 O
492 O
249 414 430 456 Cl
303315 351

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:5 Entry:190740 Library:NIST14.lib
SI:41 Formula:C23H32O4 CAS:1778-88-7 MolWeight:372 RetIndex:2856
CompName:Digitoxigenin-4-en $$ 3,14-Dihydroxycarda-4,20(22)-dienolide # $$
100 203 O
O
80
60
124
40 41 81 95 107 H
67 221 H
127 147 OH
20 161
175 192 231 249
HO
339 354 372

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590

26 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:26 R.Time:73.915(Scan#:12384) MassPeaks:291
RawMode:Averaged 73.910-73.920(12383-12385) BasePeak:207.00(840)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 91 107 191 207 281
80 81
159 177
60 55 221
67 149
40 121 271 355 381
128 249 326 401
20 234 296 317 342
370 415 551 564 576
34 433 446 473 487 501 529 600

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:1 Entry:23024 Library:NIST14s.lib
SI:49 Formula:C15H22O2 CAS:930090-10-1 MolWeight:234 RetIndex:0
CompName:4-(3,3-Dimethyl-but-1-ynyl)-4-hydroxy-2,6,6-trimethylcyclohex-2-enone
100 41
80 149 191
43 HO
60 91 163
107 135
O
40 29 55 69 77
178 219
117 164
20 206
216 234

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:2 Entry:73807 Library:NIST14.lib
SI:49 Formula:C15H22O2 CAS:930090-10-1 MolWeight:234 RetIndex:0
CompName:4-(3,3-Dimethyl-but-1-ynyl)-4-hydroxy-2,6,6-trimethylcyclohex-2-enone
100 41
80 149 191
43 HO
60 91 163
107 135
O
40 29 55 69 77
178 219
117 164
20 206
216 234

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:3 Entry:77241 Library:NIST14.lib
SI:48 Formula:C15H26O2 CAS:137235-45-1 MolWeight:238 RetIndex:1743
CompName:1s,2R,3R,4R,7R,11R-1,3,4,7-Tetramethyltricyclo[5.3.1.0(4,11)]undecan-2,3-diol $$ 2,2a,4a,7a-Tetramethyldecahydro-1H-cyclopenta[cd]indene-1,2-diol # $$
100 149
43
80 HO
60 95 109
177
HO
40 74
165 190 207
55 121
20 67
125 189 220 238

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:4 Entry:120745 Library:NIST14.lib
SI:48 Formula:C20H32O CAS:0-00-0 MolWeight:288 RetIndex:2087
CompName:5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-enal $$ (2E)-5-(7a-Isopropenyl-4,5-dimethyloctahydro-1H-inden-4-yl)-3-methyl-2-pentenal # $$
100 95 191
H
80
41 107 135 149
60 81 121
177 O
55
69
40
20 161
27 205
217 231 245 273 288

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590
Hit#:5 Entry:160210 Library:NIST14.lib
SI:48 Formula:C22H36O2 CAS:0-00-0 MolWeight:332 RetIndex:2265
CompName:5-(1-Isopropenyl-4,5-dimethylbicyclo[4.3.0]nonan-5-yl)-3-methyl-2-pentenol acetate $$ (2E)-5-(7a-Isopropenyl-4,5-dimethyloctahydro-1H-inden-4-yl)-3-methyl-2-pentenyl acetate # $$
100 191
80 O
177
60 81 95 135
43 107 O
121 149
41
40 69
20 161
27 203 217229 245 257 272 289 317 332

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560 590

27 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:27 R.Time:74.205(Scan#:12442) MassPeaks:425
RawMode:Averaged 74.200-74.210(12441-12443) BasePeak:57.05(163154)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 57 71
80 85
60 43
40 99
41 113
20 127
155
30 183 211 239 267 295 327 355 379 401 417 447462 488503 521 537 568 590

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740
Hit#:1 Entry:237196 Library:NIST14.lib
SI:94 Formula:C30H61I CAS:0-00-0 MolWeight:548 RetIndex:0
CompName:Triacontane, 1-iodo-
100 57
80 71

60 43
85
I

40
41 99
20 113
141
27 169 197211 239 421
267 295 323 351

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740
Hit#:2 Entry:239932 Library:NIST14.lib
SI:94 Formula:C44H90 CAS:7098-22-8 MolWeight:618 RetIndex:4395
CompName:Tetratetracontane $$ n-Tetratetracontane $$
100 57
80 71
43
60
85
40
20 41 99
113 141
27 169 197211 239 267 295 323 351 379 407 435 463 491 519 547 575 603 618

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740
Hit#:3 Entry:33075 Library:NIST14s.lib
SI:94 Formula:C32H66 CAS:544-85-4 MolWeight:450 RetIndex:3202
CompName:Dotriacontane $$ n-Dotriacontane $$ Bicetyl $$
100 57
80
71 85
60
43
40
99
20 113
41 141 169
27 197211 239 267 295 323 351 379 407 450
435

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740
Hit#:4 Entry:33752 Library:NIST14s.lib
SI:93 Formula:C54H110 CAS:5856-66-6 MolWeight:758 RetIndex:5389
CompName:Tetrapentacontane
100 57 71
80
85
60
40 43
99
20 113
141
41 169 197211 239 267
27 295 323 351 379 407 435 463 491 519 547 575 603 631 659 687 715 743

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740
Hit#:5 Entry:233779 Library:NIST14.lib
SI:93 Formula:C36H74 CAS:630-06-8 MolWeight:506 RetIndex:3600
CompName:Hexatriacontane $$ n-Hexatriacontane $$
100 57
80 71

60 43 85

40
99
20 41 113
141 169 197211 239 267
27 295 323 351 379 407 435 463 506

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740

28 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:28 R.Time:74.445(Scan#:12490) MassPeaks:312
RawMode:Averaged 74.440-74.450(12489-12491) BasePeak:95.05(1010)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 95
67 81
80 43

60 207
109 123 135 221 267
148 177
40 41 193 253 342
32 307 356 429
20 293 325 368 400
235 388 460
435 480 501 529 544 560 583

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:135088 Library:NIST14.lib
SI:53 Formula:C20H32O2 CAS:24470-48-2 MolWeight:304 RetIndex:2276
CompName:2-Pentenoic acid, 5-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3-methyl-, [1S-[1.alpha.(E),4a.beta.,8a.alpha.]]- $$ Labda-8(20),13-dien-15-oic acid, (E)-(+)- $$ (+)-Copa
100 81 95 HO O
107
80
121
60 43 135
245
67 149
40 41
163 175 189 289
20 203 261
18 221233 275 304

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:53256 Library:NIST14.lib
SI:52 Formula:C14H24O CAS:21632-06-4 MolWeight:208 RetIndex:1537
CompName:1-Cyclohexene-1-butanal, .alpha.,2,6,6-tetramethyl- $$ 1-Cyclohexene-1-butyraldehyde, .alpha.,2,6,6-tetramethyl- $$ Luciferin aldehyde (Latia) $$ 2-Methyl-4-(2,6,6-trimethyl-1-cycloh
100 41 95 123
69 81
80
55 135 O
60
29 43 107
150
40 175
193 208
20
18 161

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:213904 Library:NIST14.lib
SI:52 Formula:C27H46O3 CAS:62107-20-4 MolWeight:418 RetIndex:2797
CompName:3.alpha.,7.beta.-Dihydroxy-5.beta.,6.beta.-epoxycholestane $$ 9-(1,5-Dimethylhexyl)-9a,11b-dimethylhexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxirene-3,6-diol # $$
100 123 95
55
80 41 81
60 57
109 141
40 133
HO OH
20 27 159 175
199 213 227 249 278 400
O
290 354 371 418

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:51559 Library:NIST14.lib
SI:51 Formula:C15H26 CAS:20478-88-0 MolWeight:206 RetIndex:1393
CompName:4,7-Methanoazulene, decahydro-1,4,9,9-tetramethyl- $$ .beta.-Patchoulane $$
100 41 95
82 163 206
80 107 122
60 55
69
79
40 29 39 135 191
150
20 159 178
119

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:176270 Library:NIST14.lib
SI:51 Formula:C21H36O4 CAS:18465-99-1 MolWeight:352 RetIndex:2705
CompName:9,12,15-Octadecatrienoic acid, 2,3-dihydroxypropyl ester, (Z,Z,Z)- $$ Linolenin, 1-mono- $$ .alpha.-Glyceryl linolenate $$ 2,3-Dihydroxypropyl (12Z,15Z)-9,12,15-octadecatrienoate #
100 41 79
67
80
43 OH
60 95
O OH

40 27 109 O
121 135 155
20 149 173 191 203 217 232 261 280 296 309 322 352

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580

29 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:29 R.Time:74.615(Scan#:12524) MassPeaks:317
RawMode:Averaged 74.610-74.620(12523-12525) BasePeak:207.00(1341)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 73 207
80
60 105 161
57 148
40 55 85 123 135 173
221 268 401
190 327 356
20 41 231 243 285 313 387 415
489 504 522 536
31 344 373 427 446 461 557 580

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:64427 Library:NIST14.lib
SI:46 Formula:C15H26O CAS:38230-60-3 MolWeight:222 RetIndex:0
CompName:(3R,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol $$ Epicubebol $$ epi-Cubebol $$ Cubebol, epi $$
100 161
80 105 119 207 OH
60
43
40 81 91 121 H
55 67 H
20 135 179
29 53 151 165 209 222

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:173186 Library:NIST14.lib
SI:46 Formula:C19H24O6 CAS:25536-74-7 MolWeight:348 RetIndex:2697
CompName:Benz[e]azulene-3,8-dione, 5-[(acetyloxy)methyl]-3a,4,6a,7,9,10,10a,10b-octahydro-3a,10a-dihydroxy-2,10-dimethyl-, (3a.alpha.,6a.alpha.,10.beta.,10a.beta.,10b.beta.)-(+)- $$ (3a,10a-D
100 43 207
80 OH
41 O
60 69
179 OH
79 109
O
40 27 91 O
117 137
20 145 159
288 O
189 217 230 260 300 318330 348

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:196955 Library:NIST14.lib
SI:45 Formula:C21H25N3O2S CAS:0-00-0 MolWeight:383 RetIndex:3243
CompName:Acetamide, N-(6-acetylaminobenzothiazol-2-yl)-2-(adamantan-1-yl)-
100 207
NH
80
O
60 119 135 N
91 S
165 O
40 41
79 NH

20 67 105 148 383

33 193 220 234 249 264 281 333 352 366

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:71725 Library:NIST14.lib
SI:44 Formula:C10H17BrO CAS:82252-98-0 MolWeight:232 RetIndex:1434
CompName:Bicyclo[4.1.0]heptane-7-methanol, 7-bromo-.alpha.-ethyl-, (1.alpha.,6.alpha.,7.alpha.)- $$ 1-(7-Bromobicyclo[4.1.0]hept-7-yl)-1-propanol # $$
100 135
80 67
Br
95
41 79
60 55
153
40 29
53 107 123
203
20 148 OH
173 185

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:199077 Library:NIST14.lib
SI:44 Formula:C24H34O4 CAS:465-21-4 MolWeight:386 RetIndex:2947
CompName:Bufa-20,22-dienolide, 3,14-dihydroxy-, (3.beta.,5.beta.)- $$ 5.beta.-Bufa-20,22-dienolide, 3.beta.,14-dihydroxy- $$ Bufalin $$ 3-.beta.,14-Dihydroxy-5-.beta.-bufa-20,22-dienolide $$ 3
100 41 55 93 123 147 325 O
79
80 67 107
O

60 350
368
207
40 133
161 281 386
221 250
20 175187
343
OH

265 298 HO
311

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580

30 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:30 R.Time:77.325(Scan#:13066) MassPeaks:371
RawMode:Averaged 77.320-77.330(13065-13067) BasePeak:69.05(5373)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 69
80
81
60 95 135 207
40 41
55 121 147
161 187 265
20 213
32 241 272 307 335 355 370 401 416 431
448 475 503
517 535 563 594

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690
Hit#:1 Entry:216720 Library:NIST14.lib
SI:71 Formula:C30H50O CAS:469-38-5 MolWeight:426 RetIndex:2816
CompName:9,19-Cyclolanost-24-en-3-ol, (3.beta.)- $$ 9,19-Cyclo-9.beta.-lanost-24-en-3.beta.-ol $$ Cycloartenol $$ Handianol $$ 1-(1,5-Dimethyl-4-hexenyl)-3a,6,6,12a-tetramethyltetradecahydro
100 69
80
60
41 55 95
40 81 109
135
20 161175 203
286 393
408
217231 259 297 313 339 426 HO
27 357 383

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690
Hit#:2 Entry:223219 Library:NIST14.lib
SI:70 Formula:C28H48O4 CAS:56052-97-2 MolWeight:448 RetIndex:3179
CompName:Ergost-25-ene-3,5,6,12-tetrol, (3.beta.,5.alpha.,6.beta.,12.beta.)- $$ Ergost-25(27)-ene-3,5,6,12-tetrol # $$
100 55 69
80 41
81 95 OH
60
109
40 121 H
H
H
147161
20 187201215 245259 321 343357 412
HO
OH
285 303 389 430 448
OH

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690
Hit#:3 Entry:32592 Library:NIST14s.lib
SI:70 Formula:C30H50 CAS:111-02-4 MolWeight:410 RetIndex:2914
CompName:Squalene $$ 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)- $$ all-trans-Squalene $$ trans-Squalene $$ Spinacen $$ Spinacene $$ Squalen $$ 2,6,10,15,19,23
100 69 81
80
60 41 123
95
40 55 109
135149
20
39 161 177191 231
217 257271 286 325 341 367 395 410

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690
Hit#:4 Entry:242229 Library:NIST14.lib
SI:69 Formula:C59H90O4 CAS:60684-33-5 MolWeight:862 RetIndex:6258
CompName:2,3-Dimethoxy-5-methyl-6-dekaisoprenyl-chinon $$ 2-[(2E,6E,10Z,14E,18Z,22Z,26Z,30Z,34E)-3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecae
100 69
80 81
60 41 197

40 55 95 O O

107121135
235 O O

20 147161
27 175189
14 217 250 275 299 318 339 388 407 456 523 591

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690
Hit#:5 Entry:226263 Library:NIST14.lib
SI:69 Formula:C31H56O2 CAS:157501-12-7 MolWeight:460 RetIndex:0
CompName:3,7,11-trimethyldodeca-2,6,10-trien-1-yl palmitate $$ Hexadecanoic acid, 3,7,11-trimethyl-2,6,10-dodecatrien-1-yl ester $$ Hexadecanoic acid, 3,7,11-trimethyl-2,6,10-dodecatrienyl es
100 69
80
60 O

41 81 O

40 93
136
20 107121
147161 189
204 221 239 257
27 175 323 376 391 460

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690

31 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:31 R.Time:77.530(Scan#:13107) MassPeaks:306
RawMode:Averaged 77.525-77.535(13106-13108) BasePeak:95.05(2230)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 95
80 121
41 69 147
60 207
43 71 105 281
133 313 355
40
173 185 265 475
20 161 213 244 297 328 417 429 443 461 549 564
30
225 375 394 489 516 533 581

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:236384 Library:NIST14.lib
SI:57 Formula:C37H76O CAS:105794-58-9 MolWeight:536 RetIndex:3942
CompName:1-Heptatriacotanol $$ 1-Heptatriacontanol # $$
100 43 69
80 41
81
60 95
OH

107
40 147
121
133 161
20 175 190
203 215 229 244 257 272 285
536

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:237591 Library:NIST14.lib
SI:56 Formula:C40H74 CAS:0-00-0 MolWeight:554 RetIndex:4032
CompName:19,21-Tetracontadiyne
100 121
43 57 81
80
95
60 107 135
161
41 147
40 175
301 357

20 276 289 315 371 385 554

189
27 203 219 233 247 264 329 343 399 413
427 441 455 469 483 497 511 525 539

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:199214 Library:NIST14.lib
SI:56 Formula:C28H50 CAS:24643-46-7 MolWeight:386 RetIndex:2839
CompName:13,15-Octacosadiyne
100 81 121
43 67 91
80
107 133
60 41
147 161
40
175 217 273
20 192 205 231 287 301
27 245 259 315 329 343
357 371
386

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:21335 Library:NIST14s.lib
SI:56 Formula:C15H24O CAS:1139-30-6 MolWeight:220 RetIndex:1507
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

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:237996 Library:NIST14.lib
SI:56 Formula:C32H51F5O2 CAS:0-00-0 MolWeight:562 RetIndex:2655
CompName:Stigmastanol, pentafluoropropionate
100 43 379
80 81 95 107
60 57
147
121
40 41 215 F
O

135 F O
562
H
20 161 201 365 F
F
F
175 187 230 257 394 547
27 243 271 290 311 324 338 352 419 435 449 464 477 505 519 533

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580

32 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:32 R.Time:77.835(Scan#:13168) MassPeaks:439
RawMode:Averaged 77.830-77.840(13167-13169) BasePeak:57.05(184073)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 57 71
80 85
60 43
40 99
113
20 41 127
155
30 183 207 225 253 281 309 339 356 379394 416 445 461476 503 521 541 571 598

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740
Hit#:1 Entry:237196 Library:NIST14.lib
SI:94 Formula:C30H61I CAS:0-00-0 MolWeight:548 RetIndex:0
CompName:Triacontane, 1-iodo-
100 57
80 71

60 43
85
I

40
41 99
20 113
141
27 169 197211 239 421
267 295 323 351

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740
Hit#:2 Entry:33752 Library:NIST14s.lib
SI:93 Formula:C54H110 CAS:5856-66-6 MolWeight:758 RetIndex:5389
CompName:Tetrapentacontane
100 57 71
80
85
60
40 43
99
20 113
141
41 169 197211 239 267
27 295 323 351 379 407 435 463 491 519 547 575 603 631 659 687 715 743

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740
Hit#:3 Entry:239932 Library:NIST14.lib
SI:93 Formula:C44H90 CAS:7098-22-8 MolWeight:618 RetIndex:4395
CompName:Tetratetracontane $$ n-Tetratetracontane $$
100 57
80 71
43
60
85
40
20 41 99
113 141
27 169 197211 239 267 295 323 351 379 407 435 463 491 519 547 575 603 618

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740
Hit#:4 Entry:33075 Library:NIST14s.lib
SI:93 Formula:C32H66 CAS:544-85-4 MolWeight:450 RetIndex:3202
CompName:Dotriacontane $$ n-Dotriacontane $$ Bicetyl $$
100 57
80
71 85
60
43
40
99
20 113
41 141 169
27 197211 239 267 295 323 351 379 407 450
435

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740
Hit#:5 Entry:209770 Library:NIST14.lib
SI:93 Formula:C29H60 CAS:1560-98-1 MolWeight:408 RetIndex:0
CompName:Octacosane, 2-methyl- $$ 2-Methyloctacosane $$
100 57
71
80
60 85
43

40
99
113
20 41 141 365
169 197211 239 267 295
27 323 351 390 408

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740

33 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:33 R.Time:78.360(Scan#:13273) MassPeaks:304
RawMode:Averaged 78.355-78.365(13272-13274) BasePeak:69.05(2215)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 69
80 133
55 119
60 95
105

40 73 145 161 175

283
203
20 256 381
40 225 239 277 294 311
325
343 397
431 489 525 540
30 372 419 444 459 474 505 560 586

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:33506 Library:NIST14s.lib
SI:61 Formula:C40H56 CAS:7235-40-7 MolWeight:536 RetIndex:3978
CompName:.beta. Carotene $$ .beta.,.beta.-Carotene $$ .beta.-Carotene, all-trans- $$ all-trans-.beta.-Carotene $$ Cyclohexene, 1,1'-(3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1
100 69
119
80 105
41 55 95
60 81 536
133 145 157 444
40 171
183 209
20 39 225 239 253 267 281 307 331 346 359 378 399 415 430 456 521

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:106687 Library:NIST14.lib
SI:61 Formula:C20H32 CAS:75349-96-1 MolWeight:272 RetIndex:1463
CompName:Pentacyclo[9.1.0.0(2,4).0(5,7).0(8,10)]dodecane, 3,3,6,6,9,9,12,12-octamethyl-, anti,anti,anti-
100 41
80
69
55 119 147
60
162
91 105
40 81 133
29 175
20 190
203
204 229 257 272

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:235538 Library:NIST14.lib
SI:60 Formula:C36H60O2 CAS:79-81-2 MolWeight:524 RetIndex:3753
CompName:Vitamin A palmitate $$ Retinol, hexadecanoate $$ 3,7-Dimethyl-9-(2,6,6,-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol palmitate $$ Arovit $$ Ester found in fish liver oils $$ O
100 43 268
57
80 41 73
145
60 119
O

105 132 253 O

40 93 157
171 185 197 213
20 27
225 239 524
14 285 313 335 351 367 382 396 509

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:75465 Library:NIST14.lib
SI:60 Formula:C15H24O2 CAS:0-00-0 MolWeight:236 RetIndex:1904
CompName:Bicyclo[4.4.0]dec-2-ene-4-ol, 2-methyl-9-(prop-1-en-3-ol-2-yl)- $$ 6-[1-(Hydroxymethyl)vinyl]-4,8a-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-2-naphthalenol # $$
100 41
80 105 119
55 143 157 HO
60 91
79
67 OH
40 29
185
H
133
203 218
20 200
171
236

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:189431 Library:NIST14.lib
SI:60 Formula:C26H42O CAS:35882-88-3 MolWeight:370 RetIndex:2546
CompName:26,27-Dinorergosta-5,23-dien-3-ol, (3.beta.)-
100 55 69 81
80 41
133
95
60 105 271
145 283 H
40 119 215 H
H
161173
20 187 227 241253 301
199 314
HO
337 352 370

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580

34 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:34 R.Time:78.580(Scan#:13317) MassPeaks:325
RawMode:Averaged 78.575-78.585(13316-13318) BasePeak:81.05(2673)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 81
80
95
60 133 255
110
40 55 192 213
146 161 540
20 41 173 207 229
241 267 281 295 327 429
30 310 345 369 384 417 449 469 483 503 515 554 575 589

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:32625 Library:NIST14s.lib
SI:62 Formula:C29H48O CAS:83-48-7 MolWeight:412 RetIndex:2739
CompName:Stigmasterol $$ Stigmasta-5,22-dien-3-ol, (3.beta.,22E)- $$ Stigmasta-5,22-dien-3.beta.-ol $$ .beta.-Stigmasterol $$ (24S)-5,22-Stigmastadien-3.beta.-ol $$ Stigmasta-5,22-dien-3-ol, (3
100 55 83
80
69 255
60
41 95
107 133 145 159
40 121
H
H
271 H
18 213 394 412
20 173 300 351
185 199 229 241 283 314 327339 369 HO
14

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:211542 Library:NIST14.lib
SI:61 Formula:C29H48O CAS:83-48-7 MolWeight:412 RetIndex:2739
CompName:Stigmasterol $$ Stigmasta-5,22-dien-3-ol, (3.beta.,22E)- $$ Stigmasta-5,22-dien-3.beta.-ol $$ .beta.-Stigmasterol $$ (24S)-5,22-Stigmastadien-3.beta.-ol $$ Stigmasta-5,22-dien-3-ol, (3
100 55
80 83
69
60
91 105 133
145 159
40 41
119 412
H
H
255 271 H
20 173 213 300
351 369
185 199 229 241 285 314 327 339 HO
15 27 397

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:32534 Library:NIST14s.lib
SI:60 Formula:C25H42O4 CAS:2868-48-6 MolWeight:406 RetIndex:2806
CompName:Methyl hyodesoxycholate $$ Methyl hydrodesoxycholate $$ Methyl hydesoxycholate $$ Cholanoic acid, 3,6-dihydroxy-, methyl ester $$ 3,6-Dihydroxycholanoic acid, methyl ester $$
100 55 O
95
80 O
81
60
41 67 H
40 107 213 255 H
H
370
121 133145 159 231 388
20 173 273
HO H
187 199 246 355 OH
283 297 315 329

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:224854 Library:NIST14.lib
SI:60 Formula:C31H50O2 CAS:4651-48-3 MolWeight:454 RetIndex:2879
CompName:Stigmasta-5,22-dien-3-ol, acetate, (3.beta.)- $$ Stigmasta-5,22-dien-3.beta.-ol, acetate $$ Stigmasterol acetate $$ Stigmasteryl acetate $$ 3.beta.-Acetoxystigmasta-5,22-diene $$
100 43
80
81 394
60 69

40 41 93 105 133145 255 O H

H
H
119 159
20 O
173 187199 213 228
267 282 296 309 323 340 365 379 410 454

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:239786 Library:NIST14.lib
SI:60 Formula:C31H50Br2O2 CAS:50633-49-3 MolWeight:612 RetIndex:3335
CompName:22,23-Dibromostigmasterol acetate $$ 22,23-Dibromostigmast-5-en-3-yl acetate # $$
100 43
Br
80
81
60 Br
69 147
93 107
40 41 133 O
H
H
121 H

20 159 O 554
173 187 201 213 255
228 271 285 309 323 349 377 391 433 446 473 512 539 570

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580

35 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:35 R.Time:78.825(Scan#:13366) MassPeaks:330
RawMode:Averaged 78.820-78.830(13365-13367) BasePeak:207.00(1665)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 43 207
81 97 121
80
60 147
163 193
69 105 133
40 41
169 221 235 283 355
20 249 265 335 381 401
432 445 462 476
310 364 503 524
32 413 547 564 585

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:136957 Library:NIST14.lib
SI:58 Formula:C20H34O2 CAS:7220-78-2 MolWeight:306 RetIndex:2400
CompName:4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)- $$ FW 306 $$ 4,8,13-Duvatriene-1,3-Diol $$ 12-Isopropyl-1,5,9-trimethyl-4,8,13-cyclotetradecatriene-1,3-dio
100 43 81
80
41
60 95 107
69 121 136
40
147 245
HO
20 27
163
175 189 205217 288 OH
255 270

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:222249 Library:NIST14.lib
SI:58 Formula:C30H52O2 CAS:0-00-0 MolWeight:444 RetIndex:3051
CompName:4,4,6a,6b,8a,11,12,14b-Octamethyl-docosahydropicene-3,13-diol $$ Ursane-3,12-diol # $$
100 55 69 95 123 221
81
80 41
109 OH
189 204
135 H
60
163
40 149
177 272 426 444
20 27 236 251 319
HO
286 302 361 411
341

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:62467 Library:NIST14.lib
SI:57 Formula:C15H24O CAS:19890-84-7 MolWeight:220 RetIndex:1581
CompName:Longifolenaldehyde $$ Longifolenealdehyde $$
100 95 10981
80 107
41 55 67
60 135
205
121
40 43 149 220
163 O
20 29 176
164
218

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:236384 Library:NIST14.lib
SI:57 Formula:C37H76O CAS:105794-58-9 MolWeight:536 RetIndex:3942
CompName:1-Heptatriacotanol $$ 1-Heptatriacontanol # $$
100 43 69
80 41
81
60 95
OH

107
40 147
121
133 161
20 175 190
203 215 229 244 257 272 285
536

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:216731 Library:NIST14.lib
SI:57 Formula:C30H50O CAS:545-47-1 MolWeight:426 RetIndex:2848
CompName:Lupeol $$ Lup-20(29)-en-3-ol, (3.beta.)- $$ Lup-20(29)-en-3.beta.-ol $$ .beta.-Viscol $$ Clerodol $$ Fagarasterol $$ Fagarsterol $$ Lupenol $$ Monogynol B $$ Triterpene lupeol $$ 1
100 95 107 121 135
81
80 55 69 189
60 41
147 207
40 161
175
218
20 426 HO
229 297 315 411
27 247 272 339 357 383

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580

36 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:36 R.Time:79.515(Scan#:13504) MassPeaks:315
RawMode:Averaged 79.510-79.520(13503-13505) BasePeak:207.05(1916)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 81 207
80
60 55 283
109 121 135
40 85 145
161 175 221
20 30 40 68 233 299
321 343
356
369 387 402 416 429 443 503
256 475 517 536 551 566

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:1 Entry:226135 Library:NIST14.lib
SI:45 Formula:C29H48O2S CAS:0-00-0 MolWeight:460 RetIndex:2976
CompName:5-Cholesten-3.beta.-acetoxy-24-thiol $$ 24-Sulfanylcholest-5-en-3-yl acetate # $$
100 43
400
SH
80
81
60
107 145
40 41 67 93 O
119 133
159 230
20 199 213 255 356 O
175 385
248 279 296 321 339 371

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:2 Entry:225731 Library:NIST14.lib
SI:45 Formula:C30H50O3 CAS:69773-95-1 MolWeight:458 RetIndex:3202
CompName:22.alpha.-Hydroxy-3,4-secostict-4(23)-en-3-oic acid $$ 3-(7-Hydroxy-2-isopropenyl-1,4a,4b,8,8,10a-hexamethyloctadecahydro-1-chrysenyl)propanoic acid # $$
100 81
95
80 55 69 109
60 OH
121 135
40 189 207 HO
163 221 425 440
20 53 147 175 236 357 458
O
397
257 275 289 303 315 331 347 377

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:3 Entry:163555 Library:NIST14.lib
SI:44 Formula:C22H40O2 CAS:56599-50-9 MolWeight:336 RetIndex:2453
CompName:2H-Pyran, 2-(7-heptadecynyloxy)tetrahydro- $$ 2-(7-Heptadecynyloxy)tetrahydro-2H-pyran # $$
100 55
41
80 67 81
91
60 O

105 121 O

40 133
27 147
161 175
20
189 231
203 217 245 259 273 305 334

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:4 Entry:64352 Library:NIST14.lib
SI:44 Formula:C15H26O CAS:5945-72-2 MolWeight:222 RetIndex:0
CompName:Neointermedeol $$ (1S,4aR,7R,8aR)-1,4a-Dimethyl-7-(prop-1-en-2-yl)decahydronaphthalen-1-ol $$ 1-Naphthalenol, decahydro-1,4a-dimethyl-7-(1-methylethenyl)-, (1S,4aR,7R,8aR)-
100 43 81 135
80
71 OH
H
204
60 95 109
55 189
40 121 161
53 147
20 119
175
29 222

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:5 Entry:64350 Library:NIST14.lib
SI:44 Formula:C15H26O CAS:0-00-0 MolWeight:222 RetIndex:1555
CompName:6-epi-shyobunol $$ elema-1,3-dien-6.alpha.-ol $$
100 41 81
80 55
43 67 93
60 109
121
83 161
40 123 136

20 207 OH
147 162 179
194 221

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560

37 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:37 R.Time:79.695(Scan#:13540) MassPeaks:313
RawMode:Averaged 79.690-79.700(13539-13541) BasePeak:69.05(3324)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 69
80 81
60 95
119
40 41 55 107 281
207
129 175
20 142 159 193 221 355 373 387 401 415 475
33
251 266 297 315 335 430 443 459 491 517 537 555 580

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:1 Entry:237590 Library:NIST14.lib
SI:60 Formula:C40H58O CAS:105-92-0 MolWeight:554 RetIndex:4025
CompName:Rhodopin $$ .psi.,.psi.-Carotene, 1,2-dihydro-1-hydroxy- $$ Lycopene, 1,2-dihydro-1-hydroxy- $$ Lycopene, 1,2-dihydro-1-hydroxy-, all-trans- $$ Rhodopin, all-trans- $$ 1,2-Dihydro-
100 69
80
60 41
55 81
HO

40 95105 119
18 145
133 157
20 171 183 209 430 536
235 554
261 281 305 333 346 361 375 399 444 462 485 502 521

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:2 Entry:32592 Library:NIST14s.lib
SI:59 Formula:C30H50 CAS:111-02-4 MolWeight:410 RetIndex:2914
CompName:Squalene $$ 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)- $$ all-trans-Squalene $$ trans-Squalene $$ Spinacen $$ Spinacene $$ Squalen $$ 2,6,10,15,19,23
100 69 81
80
60 41 123
95
40 55 109
135 149
20
39 161 177 191 203 231
217 243 257 271 286 299 325 341 367 395 410

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:3 Entry:53256 Library:NIST14.lib
SI:58 Formula:C14H24O CAS:21632-06-4 MolWeight:208 RetIndex:1537
CompName:1-Cyclohexene-1-butanal, .alpha.,2,6,6-tetramethyl- $$ 1-Cyclohexene-1-butyraldehyde, .alpha.,2,6,6-tetramethyl- $$ Luciferin aldehyde (Latia) $$ 2-Methyl-4-(2,6,6-trimethyl-1-cycloh
100 41 95 123
69 81
80
55 135 O
60
29 43 107
150
40 175
193 208
20
18 161

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:4 Entry:41199 Library:NIST14.lib
SI:58 Formula:C14H24 CAS:230646-72-7 MolWeight:192 RetIndex:1227
CompName:1,5,9-Decatriene, 2,3,5,8-tetramethyl- $$ (5E)-2,3,5,8-Tetramethyl-1,5,9-decatriene # $$
100 69
41
80 81
55
60 95

40
29 137
20 57 109 123
38
91
111 138 150 163 177 192

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580
Hit#:5 Entry:217436 Library:NIST14.lib
SI:58 Formula:C30H52O CAS:0-00-0 MolWeight:428 RetIndex:3093
CompName:2,2,4-Trimethyl-3-(3,8,12,16-tetramethyl-heptadeca-3,7,11,15-tetraenyl)-cyclohexanol $$ 2,2,4-Trimethyl-3-[(3E,7E,11E)-3,8,12,16-tetramethyl-3,7,11,15-heptadecatetraenyl]cyclohexa
100 69 81
80
60
41 HO

40 95 109
20 123 136 149
26 161 175 189 203 217 231 243 259271 286 299 317 341 359 385 410 428

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520 550 580

38 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:38 R.Time:80.585(Scan#:13718) MassPeaks:306
RawMode:Averaged 80.580-80.590(13717-13719) BasePeak:81.05(7314)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 69 81
80
60
95
40
109 207
20 135 149 163 175 189
41 55 215 228 246 260 289 303 322 342 362 381 393 417 465 537 549 567 583
31 437 498 517

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:1 Entry:233724 Library:NIST14.lib
SI:74 Formula:C30H51BrO CAS:65746-05-6 MolWeight:506 RetIndex:3253
CompName:6,10,14,18,22-Tetracosapentaen-2-ol, 3-bromo-2,6,10,15,19,23-hexamethyl-, (all-E)- $$ (6E,10E,14E,18E)-3-Bromo-2,6,10,15,19,23-hexamethyl-6,10,14,18,22-tetracosapentaen-2-ol #
100 81
69
80 Br

60
OH

40 41
43 93
20 109 121 135
149
27 161 175 191203 217 231 243 257 273285 299 314 327 339 357 369 383395 409 426 463 491 508

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:2 Entry:32592 Library:NIST14s.lib
SI:73 Formula:C30H50 CAS:111-02-4 MolWeight:410 RetIndex:2914
CompName:Squalene $$ 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)- $$ all-trans-Squalene $$ trans-Squalene $$ Spinacen $$ Spinacene $$ Squalen $$ 2,6,10,15,19,23
100 69 81
80
60 41 123
95
40 55 109
135 149
20
39 161 177 191 203 231
217 243 257 271 286 299 325 341 367 395 410

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:3 Entry:217436 Library:NIST14.lib
SI:73 Formula:C30H52O CAS:0-00-0 MolWeight:428 RetIndex:3093
CompName:2,2,4-Trimethyl-3-(3,8,12,16-tetramethyl-heptadeca-3,7,11,15-tetraenyl)-cyclohexanol $$ 2,2,4-Trimethyl-3-[(3E,7E,11E)-3,8,12,16-tetramethyl-3,7,11,15-heptadecatetraenyl]cyclohexa
100 69 81
80
60
41 HO

40 95 109
20 123 136 149
27 161 175 189 203 217 231 243 259271 286 299 317 341 359 385 410 428

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:4 Entry:147816 Library:NIST14.lib
SI:73 Formula:C22H38O CAS:0-00-0 MolWeight:318 RetIndex:2391
CompName:4,8,12,16-Octadecatetraen-1-ol, 4,9,13,17-tetramethyl- $$ (4E,8E,12E)-4,9,13,17-Tetramethyl-4,8,12,16-octadecatetraen-1-ol # $$
100 95 81
41 69
80
60 HO

40
39 55 121
20 107 136 149
163 177 189 205 231 249 275 303

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:5 Entry:211545 Library:NIST14.lib
SI:73 Formula:C29H48O CAS:0-00-0 MolWeight:412 RetIndex:2878
CompName:2,2-Dimethyl-3-(3,7,16,20-tetramethyl-heneicosa-3,7,11,15,19-pentaenyl)-oxirane $$ 2,2-Dimethyl-3-[(3E,7E,11E,15E)-3,7,16,20-tetramethyl-3,7,11,15,19-henicosapentaenyl]oxirane
100 69 81
80
60 O

41
40 95 135
20 107 121
153
26 175 189 203 215 229 243 257 275 304 326 343 369 397 412

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560

39 / 40
 9/11/2023 4:13:23 PM

<< Target >>

Line#:39 R.Time:80.815(Scan#:13764) MassPeaks:305
RawMode:Averaged 80.810-80.820(13763-13765) BasePeak:69.05(4781)
BG Mode:Calc. from Peak Group 1 - Event 1 Q3 Scan
100 69
80 81
60
121 133
40 149
94
20 55 162
177 189 205
222 282
31 39
296
234 252 267 313 331 355 369 381 402 417 429 446 475 503 528 555 578 591

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:1 Entry:29533 Library:NIST14s.lib
SI:71 Formula:C21H34O2 CAS:42207-88-5 MolWeight:318 RetIndex:2216
CompName:2,6,10,14-Hexadecatetraenoic acid, 3,7,11,15-tetramethyl-, methyl ester, (E,E,E)- $$ Methyl (2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenoate # $$
100 69
80 41
81
60 O

40 121
55 93 107
136
20 149
27 161 175 189 205 217 236 249 275287 303 318

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:2 Entry:32837 Library:NIST14s.lib
SI:71 Formula:C30H50O CAS:7200-26-2 MolWeight:426 RetIndex:2955
CompName:Oxirane, 2,2-dimethyl-3-(3,7,12,16,20-pentamethyl-3,7,11,15,19-heneicosapentaenyl)-, (all-E)- $$ 2,2-Dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethyl-3,7,11,15,19-henicosape
100 69
80 81

60 O

40
41
95 107 121 135
20 149
27 161 175 189 203 217229 247 271 289 315 339 357 383 408 426

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:3 Entry:217436 Library:NIST14.lib
SI:70 Formula:C30H52O CAS:0-00-0 MolWeight:428 RetIndex:3093
CompName:2,2,4-Trimethyl-3-(3,8,12,16-tetramethyl-heptadeca-3,7,11,15-tetraenyl)-cyclohexanol $$ 2,2,4-Trimethyl-3-[(3E,7E,11E)-3,8,12,16-tetramethyl-3,7,11,15-heptadecatetraenyl]cyclohexa
100 69 81
80
60
41 HO

40 95 109
20 123 136 149
27 161 175 189 203 217 231 243 259271 286 299 317 341 359 385 410 428

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:4 Entry:216725 Library:NIST14.lib
SI:70 Formula:C30H50O CAS:7200-26-2 MolWeight:426 RetIndex:2955
CompName:Oxirane, 2,2-dimethyl-3-(3,7,12,16,20-pentamethyl-3,7,11,15,19-heneicosapentaenyl)-, (all-E)- $$ 2,2-Dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethyl-3,7,11,15,19-henicosape
100 69
81
80
60 O

41
40
95
20 107 121 135
149 161
27 175 189 203 217 231 247 271 289 315 339 357 383 408 426

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560
Hit#:5 Entry:216724 Library:NIST14.lib
SI:69 Formula:C30H50O CAS:54159-46-5 MolWeight:426 RetIndex:3058
CompName:1,6,10,14,18,22-Tetracosahexaen-3-ol, 2,6,10,15,19,23-hexamethyl-, (all-E)- $$ (6E,10E,14E,18E)-2,6,10,15,19,23-Hexamethyl-1,6,10,14,18,22-tetracosahexaen-3-ol # $$
100 69
80 OH

81
60
41 93
40
55 107
20 135
121
149
27 161 175 189 203 217 231243 257 271 289 315327 339 357 383 408 426

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500 530 560

40 / 40