R F2 B1

KEMENTRIAN RISET, TEKNOLOGI DAN PENDIDIKAN TINGGI
UNIVERSITAS BRAWIJAYA
LABORATORIUM SENTRAL ILMU HAYATI
Jl Veteran, Malang 65145, Indonesia
Telp/Fax. +62341 559054
http://lsih.ub.ac.id Email : laboratoriumsentral@Ub.ac.id ; laboratoriumsentral@gmail.com
Chromatogram R-F2-B1 C:\GCMSsolution\Data\Project1\22042021\R-F2-B1.qgd

TIC
20.724
6,000,000
19.970
17.466
23.585
24.310
20.906
25.819
25.036
20.043
17.340
17.720
18.349
27.365
19.165
22.078
24.899
26.257
15.951
18.705
21.362
23.959
26.688
28.386
28.170
28.646
16.0 17.0 18.0 19.0 20.0 21.0 22.0 23.0 24.0 25.0 26.0 27.0 28.0 29.0
min
Quantitative Result Table

ID# Name R.Time m/z Area Height Conc. Conc.Unit R.Index
1 1,6-Octadien-3-ol, 3,7-dimethyl-, (.+-.)- (CAS) 15.954 43.00 26912 7767 0.157 % 0
2 CITRONELLA 17.340 41.00 141819 44395 0.829 % 0
3 CITRONELLA 17.466 41.00 1213035 369619 7.091 % 0
4 CITRONELLA 17.721 41.00 35247 10665 0.206 % 0
5 LONGIPINENEPOXIDE 18.348 41.00 46035 11888 0.269 % 0
6 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (S)-
18.705
(CAS) 59.00 26744 7605 0.156 % 0
7 Dodecanal (CAS) 19.164 41.00 23484 7066 0.137 % 0
8 .beta.-Citronellol 19.971 41.00 4441586 1076070 25.962 % 0
9 Z-Citral 20.044 41.00 595191 182931 3.479 % 0
10 Nerol (CAS) 20.724 41.00 7734877 1718390 45.213 % 0
11 E-Citral 20.905 41.00 928786 252491 5.429 % 0
12 .beta.-Citronellol 21.366 41.00 14062 5291 0.082 % 0
13 1-Pentene, 3-bromo-4-methyl- 22.079 41.00 37747 12421 0.221 % 0
14 Citronellyl acetate 23.585 43.00 586473 180759 3.428 % 0
15 Silane, [1,3,5-benzenetriyltris(oxy)]tris[trimethyl- (CAS)23.960 342.00 11706 3871 0.068 % 0
16 Geranyl acetate 24.310 41.00 524109 158247 3.064 % 0
17 .BETA. BOURBONENE 24.901 123.00 18439 5169 0.108 % 0
18 (-)-.beta.-Elemene 25.037 41.00 222276 62062 1.299 % 0
19 trans-Caryophyllene 25.819 41.00 363813 95562 2.127 % 0
20 Farnesol 26.254 41.00 31629 9179 0.185 % 0
21 .alpha.-Humulene (CAS) 26.685 41.00 15823 4077 0.092 % 0
22 Germacrene D 27.366 161.00 32326 8978 0.189 % 0
23 Calarene 28.160 161.00 14233 3808 0.083 % 0
24 .delta.-Cadinene (CAS) 28.389 161.00 15417 4238 0.090 % 0
25 TETRADECAMETHYLCYCLOHEPTASILOXANE 28.648 282.00 5985 2118 0.035 % 0
Library
<< Target >>
Line#:1 R.Time:15.950(Scan#:2391) MassPeaks:405
RawMode:Averaged 15.945-15.955(2390-2392) BasePeak:43.30(7241)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
80
60 71
40 69
20 93
30 107 136 159 179 198 226242 268 286301 319 339 358373 403 420436 471 499 526 543 568 598 628 651 683 712 730 754 775
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:1 Entry:57896 Library:Wiley9.lib
SI:91 Formula:C10H18O CAS:22564-99-4 MolWeight:154 RetIndex:0
CompName:1,6-Octadien-3-ol, 3,7-dimethyl-, (.+-.)- (CAS) $$ 1,6-Octadien-3-ol, 3,7-dimethyl-, (.+/-.)- $$ 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL- $$ 3,7-DIMETHYLOCTA-1,6-DIEN-3-OL $$ (+-)-
100 41
80
71
43
60 28
55
93
40 HO
80
20 53
32 77
65 84 96109 136
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
SI:89 Formula:C10H16 CAS:586-62-9 MolWeight:136 RetIndex:0
CompName:.ALPHA.-TERPINOLENE $$ Cyclohexene, 1-methyl-4-(1-methylethylidene)- (CAS) $$ 1,4(8)-P-MENTHADIENE $$ 1-METHYLENE-4-ISOPROPYLENECYCLOHEXANE $$ Terpino
100 41 71
80
55
93
60
40 80
53
20 121
65 7785 97 136
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:1,6-OCTADIEN-3-OL, 3,7-DIMETHYL- $$ 3,7-DIMETHYLOCTA-1,6-DIEN-3-OL $$ (+-)-LINALOOL $$ (1)-3,7-DIMETHYL-1,6-OCTADIEN-3-OL $$ .BETA.-LINALOOL $$ 1, 6-OC
100 71
41
80
55 93 OH
60
40 27 80
20 53 121
72
65 84 96109 136
31
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:L-LINALOOL $$ 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL- $$ 3,7-DIMETHYLOCTA-1,6-DIEN-3-OL $$ (+-)-LINALOOL $$ (1)-3,7-DIMETHYL-1,6-OCTADIEN-3-OL $$ .BETA.-LINA
100 71
43
80 93
55 OH
60
69
40 80
39
121
20 83
5159 96 136
31
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:Linalool $$ 1,6-Octadien-3-ol, 3,7-dimethyl- (CAS) $$ Linalol $$ .beta.-Linalool $$ Linalyl alcohol $$ 2,6-Dimethyl-2,7-octadien-6-ol $$ allo-Ocimenol $$ p-Linalool $$ LINOLOOL (D)
100 71
80 41
93
55 OH
60
40 80
121
20 53
96
136
6572 84 109 139
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
100 41
80
60 43
67
40 71 121
20 84 111
30 140 175 207 228 261 280 305 324 343 371 391 413 429 448 472 502 530 548 568 600 621 652 675 695 717 743 762 797
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:CITRONELLA $$ 6-Octenal, 3,7-dimethyl- (CAS) $$ Citronellal $$ Rhodinal $$ .beta.-Citronellal $$ 3,7-Dimethyl-6-octenal $$ 2,3-Dihydrocitral $$ 3,7 DIMETHYL 6 OCTENAL $$ Lev
100 41
69
80
60 O
55
40 27 43
95
7181
20 57 111
136 154
85
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:(-)-Isopulegol $$ Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, [1R-(1.alpha.,2.beta.,5.alpha.)]- (CAS) $$ l-Isopulegol $$ Isopulegol $$ p-Menth-8-en-3-ol, (1R,3R,4S)-(-)- (CAS) $$ iso-P
100 41
80
60
55 69 81
40 27 43 OH
93
20 57 111 136
85 154
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 41
80
69
60 55 81
43
40 53 93 OH
97 111
20 136
65 7785
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 41 69
80 95
60 55 O
40
43 84 111
20 57 71
136 154
85
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 41
80
69
60 O
55
40 95
43
27
20 57 71
84 111 136 154
85
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
100 41
80
60
40 55 69
20 95 70 111 139
30 173 192 210 234 259 278 306 335 354 381 402 432 457 478 497 524 553568 589 606 640656 678 708724 755 785
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 41
80 69
60 O
40 55 95
20 84 111
44 72 136 154
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:6-OCTENAL, 3,7-DIMETHYL- $$ (R)-(+)-CITRONELLAL $$ .BETA.-CITRONELLAL $$ 2,3-DIHYDROCITRAL $$ 3,7 DIMETHYL 6 OCTENAL $$ 3,7-DIMETHYL-6-OCTEN-1-AL
100 41
80 69
60 O
40 27 55
95
20 43
81 110
24 59 136 154
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 41
80
60 O
69
55
40 95
20 111
58 72 136 154
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 41
80
69
60 O
55
40 95
43
27
20 57 71
84 111 136 154
85
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 41
80 69
60 O
55 95
40
43
20 57 71
84 111
85 136 154
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
100 41
80
60 43
67
40
121
20 84 111 139
30 154
180 207 224 246 268 290 312 337352 390 410 429444 468 488 507 538 556 582 611 628 653 680 700 724 744760 782
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 41
69
80
60 O
55
40 27 43
95
7181
20 57 111
136 154
85
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 41
80
60
55 69 81
40 27 43 OH
93
20 57 111 136
85 154
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 41 69
80 95
60 55 O
40
43 84 111
20 57 71
136 154
85
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 41
80
69
60 O
55
40 95
43
27
20 57 71
84 111 136 154
85
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 41
80 69
60 O
55 95
40
43
20 57 71
84 111
85 136 154
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
100 41
80 43
60 67
40
81
20 94
109
30 137152 168 190 210 239 258274 298 315 343 361 379 399 424 456 487 511 529 556 579 597612 636 666 696 719 746 765 792
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:LONGIPINENEPOXIDE
100 41
80
O
60
2939 55
40
67
20 65 8191 107
119 135 161177
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:2-Pentadecyn-1-ol (CAS) $$ PENTADEC-2-YN-1-OL
100 41
80 43
60 55
HO
40 67 81
93
20 53
65 7784 107 135
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:1-Nonyne (CAS) $$ 1-C9H16 $$ NON-1-YNE $$ 1-NONYN $$ EINECS 222-375-1 $$ Heptylacetylene $$ n-Heptylacetylene
100 41
80 81
27
67
60 55
40 95
53
20
65 7784 96109
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
SI:85 Formula:C13H20O2 CAS:0-00-0 MolWeight:208 RetIndex:0
CompName:1b,5,5,6a-Tetramethyl-octahydro-1-oxa-cyclopropa[a]inden-6-one $$ 1b,5,5,6a-Tetramethyloctahydro-6H-indeno[1,2-b]oxiren-6-one
100 41
80
60 55
O
40 109
29 67
77 91
20 51 65 107 O
121137
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:1-UNDECYNE $$ UNDEC-1-YNE $$ 1-C11H20 $$ EINECS 218-825-1 $$ NSC 87633
100 41
80 43
81
67
60 55
27
40 95
53
20 96 109
65 7784
30
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
100 59
80
43
60
40 41 121
20 81 93
30 107 140 172 195 212227 244 277 296 319 341 364 386 405 427 446 469 503 526 552 571 596 616 637 662 680 710 732 751 769 789
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (S)- (CAS) $$ p-Menth-1-en-8-ol, (S)-(-)- (CAS) $$ 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl- (CAS) $$ CYCLOHEX
100 59
80
60 43
93 OH
40 41 81 121
27 67 136
20 53 77
65 96 139
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:3-CYCLOHEXENE-1-METHANOL, .ALPHA.,.ALPHA.,4-TRIMETHYL-, (S)- $$ 2-(4-METHYL-3-CYCLOHEXEN-1-YL)-2-PROPANOL # $$ (+)-.ALPHA.-TERPINEOL (P-MENTH-
100 59 OH
80
60
43 93
40 81 121
136
41
20 27 67
53
65 77 107 139
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 59
80
60 43
93
OH
121136
40 81
41 68
20 27 53
65 97110 139
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 59
80
60 93
43 121
40 81 136
41 67
20 27 53 77
65 139 OH
97
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:3-CYCLOHEXENE-1-METHANOL, .ALPHA.,.ALPHA.,4-TRIMETHYL- $$ 3-CYCLOHEXENE-1-METHANOL, .ALPHA.,.ALPHA.,4-TRIMETHYL-, (S)- $$ 2-(4-METHYL-3-CYCL
100 59
80
60
93 OH
40 121136
43 81
20 41 67
27 53 65 77 107 139
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
100 41
80
60 57
40
70
20
30 95 110 128 151 180 209 235 265 293 314 342 368 396 429 457 476 502518534 553 578 597 615630 655 675 693 725 754 779 800
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:Dodecanal (CAS) $$ n-Dodecanal $$ 1-Dodecanal $$ Lauraldehyde $$ Aldehyde C-12 $$ n-Lauraldehyde $$ Dodecanaldehyde $$ Lauryl aldehyde $$ Lauric aldehyde $$ Dodecyl aldehyde
100 41
80 29
60 55
O
27
40
68 82
20 45
85
96
110 140
156
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:Nonanal (CAS) $$ n-Nonanal $$ n-Nonylaldehyde $$ Nonaldehyde $$ n-Nonaldehyde $$ Nonanaldehyde (CAS) $$ Nonylaldehyde $$ Pelargonaldehyde $$ Nonylic aldehyde $$ Nonanoic
100 41 57
80
29
60 O
40
39 68
20 45 82
32 98
7985 109
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:DECANAL $$ CAPRALDEHYDE $$ 1-DECANAL $$ 1-DECANAL (MIXED ISOMERS) $$ 1-DECANAL(MIXED ISOMERS) $$ 1-DECYL ALDEHYDE $$ 3,4-DIHYDRO-5,7-DIHY
100 41
57
80
29
60 O
70
40 82
20 8495 112
31 53 6572 128
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:Octadecanal (CAS) $$ Stearaldehyde $$ Stearyl aldehyde $$ Octadecyl aldehyde $$ n-Octadecanal $$ 1-OCTADECANAL $$ EINECS 211-346-9 $$ NSC 68100 $$ OCTADECANAL (9C
100 43
80
60 55
29 O
40 82
69
20 96
109 137 250
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:Decanal (CAS) $$ n-Decanal $$ Decyl aldehyde $$ Decaldehyde $$ Capraldehyde $$ Aldehyde C10 $$ Decanaldehyde $$ n-Decaldehyde $$ Caprinaldehyde $$ Capric aldehyde $$ Decylic
100 41
29 57
80
60 O
40 70
82
112
20 84 95
53 72 128
31 65
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
100 41
80
60 55
69
40
20 81
95 138
30 109 156 181 204 235 259 278 305 335 358 375 392 417 433 451 468 503 529 550 582 609 629 645662 693 711 735 754 777
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
CompName:.beta.-Citronellol $$ 6-Octen-1-ol, 3,7-dimethyl- (CAS) $$ Citronellol $$ Rodinol $$ Cephrol $$ 3,7-Dimethyl-6-octen-1-ol $$ 2,3-Dihydrogeraniol $$ BETA-CITRONELLOL $$ D-CITR
100 41
80 69
60 HO
55
40 81
95
27 43 71
20 57 109
85 99 138 156
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
100 41
80 69
60 HO
55 82
40
95
20 27 53 71 109 156
19 86 138
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
100 41
80 69
60 55 HO
40 67 82
27 95
20
45 109 138 156
85
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
CompName:6-OCTEN-1-OL, 3,7-DIMETHYL- $$ (R)-(+)-CITRONELLOL $$ .BETA.-CITRONELLOL $$ 2,3-DIHYDROGERANIOL $$ 2,6-DIMETHYL-2-OCTEN-8-OL $$ 3, 7-DIMETHYL-6-OC
100 41
69
80
60 HO
55
82
40
71 95
27 43
20 57 109
85 99 138 156
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
100 41
69
80
60 HO
55
71
40 28 81
95
29 43
20 57 109 138 156
85
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
<< Target >>
100 41
80
60
40 69
20 53
83 109 137 156 179
30 207 229 247 267 292 311 335 362377392 418 440 468 486 503 520 537 562 580595 625 656 679 703 725 754 782
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:Z-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (Z)- (CAS) $$ Neral $$ .beta.-Citral $$ cis-Citral $$ Citral b $$ cis-3,7-Dimethyl-2,6-octadienal $$ (Z)-3,7-Dimethyl-2,6-octadienal $$ citral-b $$
100 41
80 H
60 69
O
40 39
20 53 67
45 77 91 107
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:Z-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (Z)- (CAS) $$ Neral $$ .beta.-Citral $$ cis-Citral $$ Citral b $$ cis-3,7-Dimethyl-2,6-octadienal $$ (Z)-3,7-Dimethyl-2,6-octadienal $$ citral-b $$
100 41
80 H
60 69
O
40
27
20 94
43 59 77 96 109 134
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:Citral $$ 2,6-Octadienal, 3,7-dimethyl- (CAS) $$ 3,7-Dimethyl-2,6-octadienal $$ 3,7-Dimethyl-1-2,6-octadienal $$ Citral,c&t $$ cis,trans-Citral $$ Geranial $$ NCI-C56348 $$ 3,7-Dimeth
100 41
69
80 H
60
O
40
27 39
84
20 53 67 81 94 109
24 96 137152
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:2,6-OCTADIENAL, 3,7-DIMETHYL- $$ 2,6-OCTADIENAL, 3,7-DIMETHYL-, (Z)- $$ (2E)-3,7-DIMETHYL-2,6-OCTADIENAL # $$ (2E)-3,7-DIMETHYL-2,6-OCTADIENAL $$ (2E)-
100 41
69
80 H
60
O
40
27 39
84
20 53 67 81 94 109
24 96 137152
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:E-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (E)- (CAS) $$ Geranial $$ trans-Citral $$ Citral a $$ Citral-a $$ (E)-Citral $$ Geranaldehyde $$ .alpha.-Citral $$ trans-3,7-Dimethyl-2,6-octadien
100 41 O
80 69
H
60
40
20 84
43 5565 77 94 109 137
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
100 41
80
60 69
40
20 53
30 70 84 111 139154 171 204 231247 270 290 320 347 371 395411 441 458 476 501 518 537 567 585 613 634 669 694 714 732 752768
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
CompName:Nerol (CAS) $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)- (CAS) $$ cis-Geraniol $$ Neryl alcohol $$ Geranyl Alcohol $$ cis-3,7-Dimethyl-2,6-octadien-1-ol $$ 2-cis-3,7-Dimethyl-2,6-octadie
100 41
80
60 HO
69
40
20 27 93
43 5565 77
31 97 119
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
CompName:trans-Geraniol $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, (E)- (CAS) $$ Guaniol $$ Lemonol $$ Geraniol $$ Geranyl alcohol $$ 2,6-Dimethyl-2,6-octadien-8-ol $$ 2,6-dimethyloctane-2,6-dien-8
100 41
80
69
60 HO
40 18
27 93
20
51 67 79 91 105 121136 154
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
100 41 69
80
60 HO
40
20 27
43
57 71 84 111 136 154
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
CompName:3-Penten-1-ol, 4-methyl- $$ 4-Methyl-3-penten-1-ol
100 41
80
60 69
OH
40
20 55 67
27 100
3844 74
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
100 41 69
80
60 HO
40
20 43
57 79 91 111
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
<< Target >>
100 41
80
60
69
40
20 53
30 70 84 109 137152 177 208 225 247 276 299 327 347 375 404420 456 484 511 535 569 600 622 639 668 689705 722 739755 778 800
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
CompName:E-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (E)- (CAS) $$ Geranial $$ trans-Citral $$ Citral a $$ Citral-a $$ (E)-Citral $$ Geranaldehyde $$ .alpha.-Citral $$ trans-3,7-Dimethyl-2,6-octadien
100 41 O
80 69
H
60
40
20 84
43 5565 77 94 109 137
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
CompName:2-BUTENE, 2,3-DIMETHYL- $$ 2,3-DIMETHYLBUT-2-ENE $$ (CH3)2C=C(CH3)2 $$ 1,1,2,2-TETRAMETHYLETHYLENE $$ 2, 3-DIMETHYL-2-BUTENE $$ 2,3-DIMETHYL-2-B
100 41
80
60 69
40
39
20 84
27 55
2232 44 62 77
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
CompName:2-Pentene, 4-methyl-, (Z)- (CAS) $$ 4-METHYL-CIS-PENT-2-ENE $$ 4-Methyl-2-cis-pentene $$ (Z)-4-Methyl-2-pentene $$ cis-4-Methyl-2-pentene $$ 4-Methyl-cis-2-pentene $$ (Z)-(C
100 41
80
60 69
40
39
27
20 84
15 29 55
44 6774
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
CompName:2-Pentene, 4-methyl-, (E)- (CAS) $$ 4-Methyl-trans-2-pentene $$ (E)-4-Methyl-2-pentene $$ trans-4-Methyl-2-pentene $$ 4-Methyl-2-pentene $$ (E)-(CH3)2CHCH=CHCH3 $$ trans 4-m
100 41
80
69
60
40
27 39
20 55
84
15 29 6772 83
44
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
CompName:1-Butene, 3,3-dimethyl- (CAS) $$ 3,3-Dimethyl-1-butene $$ Neohexene $$ tert-Hexene $$ tert-Butylethene $$ tert-Butylethylene $$ 3,3-Dimethylbutene $$ Trimethylvinylmethane $$ 2,2-D
100 41
80 69
60
40
27
20 84
2631 43 56 71
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
<< Target >>
100 41
80
60
55 69
40
31
20 81 95 138 109 166 192 210 232 255 277293309 328 348 371 398 423 451 469 498 515 539 564 588604 621 643 661 680 712 731 763779 799
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
100 41
80 69
60 HO
55 82
40
95
20 27 53 71 109 156
19 86 138
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
100 41
80 69
60 HO
55
40 81
95
27 43 71
20 57 109
85 99 138 156
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
CompName:1,6-Octadiene, 3,7-dimethyl-, (s)- (CAS) $$ 3,7-Dimethyl-1,6-octadiene $$ 3,7-DIMETHYL-1,6-OCTADIENE # $$ (S)-3,7-Dimethyl-1,6-octadiene $$ (S)-Citronellene
100 41
80
55
60
67
40 82
27
95
20
43
30 65 7784 96 109 138
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
100 41
80 69
60 55 HO
40 67 82
27 95
20
45 109 138 156
85
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
CompName:6-Octen-1-ol, 3,7-dimethyl-, formate (CAS) $$ Citronellyl formate $$ METHANOIC ACID, 3,7-DIMETHYL-6-OCTEN-1-OL ESTER $$ Formic acid, citronellyl ester $$ Formic acid, 3,7-
100 41 69
80
55
60 O O
81 95
40
29 123
20 43 138
96 109
65 7784
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
<< Target >>
100 41
80 69
60
40
20 53 136
30 70 93 107 160 190 216 244 275 297 317 342 360 385 410426 454 486 517 537 572 601 622 643 670 699 734 764 792
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
SI:89 Formula:C6H11Br CAS:815-47-4 MolWeight:162 RetIndex:0
CompName:1-Pentene, 3-bromo-4-methyl-
100 41
80 69 Br
60
40
39
27
20 53 67
26 55 79 91104 121 148
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
CompName:1,6-Heptadiene, 2-methyl- (CAS) $$ 6-Methyl-1,6-heptadiene $$ CH2=CH(CH2)3C(CH3)=CH2 $$ 2-Methyl-1,6-heptadiene $$ 2-Methyl-1,6-heptadiene (computer-generated name) $$ 2-
100 41
80
69
60
40
20 27
66
263342 53 81 95 110
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
SI:88 Formula:C5H9NO2 CAS:2562-38-1 MolWeight:115 RetIndex:0
CompName:Cyclopentane, nitro- (CAS) $$ Nitrocyclopentane $$ CCRIS 5057 $$ EINECS 219-884-6 $$ NITROCYCLOPENTASE
100 41 69
80
60 O
N+
40 67
20 27 O-
15 3743 58 74 86
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
SI:88 Formula:C5H9NO2 CAS:1809-67-2 MolWeight:115 RetIndex:0
CompName:3-methyl-3-nitro-1-butene $$ 3-Methyl-3-nitrobut-1-ene $$ 3-Methyl-3-nitro-1-butene (computer-generated name)
100 41
80 O
69
60 N+
40
39 O-
20 27
53
44 63 85
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
SI:88 Formula:C5H9Br CAS:870-63-3 MolWeight:148 RetIndex:0
CompName:2-Butene, 1-bromo-3-methyl- (CAS) $$ .gamma.,.gamma.-Dimethylallyl bromide $$ Prenyl bromide $$ 1-Bromo-3-methyl-2-butene $$ 3-Methyl-butenyl bromide $$ 3-Methyl-2-butenyl br
100 41 69
80
60
40 Br
27 53
20
37 51 65 79 93 107123 148
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
<< Target >>
100 41
80
60
40 69
81
123138
20 95
109
30 140 161177 204 222 240 258274 298314 340 362 383 401 429444 467 495 531 559 581 599 621637 671 694 721 741757 775
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:Citronellyl acetate $$ 6-Octen-1-ol, 3,7-dimethyl-, acetate (CAS) $$ Citronellol acetate (CAS) $$ Natural rhodinol, acetylated $$ 3,7-Dimethyl-6-octenyl acetate $$ .beta.-Citronellyl acetat
100
41
80 69
O
60 81
55 95
40 O
123
20 27 109 138
5361 96
31 73 84
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 41
80 69
O
60 81
55 95
40 123
O
20 109 138
27 53
31 61 73 87 101 139
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 41
80 69
81 O
60 95
55 123
40 138
O
109
20 53
61 73 139
85 97
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:11-Tetradecen-1-ol, acetate, (Z)- (CAS) $$ cis-11-Tetradecenyl acetate $$ (Z)-11-Tetradecenyl acetate $$ cis-11-Tetradecen-1-ol acetate $$ (Z)-11-Tetradecen-1-ol acetate $$ cis-11-Tetradec
100 43
80
60
55 O O
40 67 82
29
20 39
61
96
109124 166
85 194
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 41 69
80
81
95 O
60
28 55
40 123
O
20 109 138
5361 96
32
7784 137
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
100 342
80
430
60 73
161
40 41
105 326
20 55 205
30 69 91 133 176191 217 252268 302 353369 402 434 465 487 510526 554 585 606621 648663 694 727743759 780
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
SI:55 Formula:C15H30O3Si3 CAS:10586-12-6 MolWeight:342 RetIndex:0
CompName:Silane, [1,3,5-benzenetriyltris(oxy)]tris[trimethyl- (CAS) $$ PHLOROGLUCINOL TRITMS $$ 1,3,5-TRIHYDROXYBENZENE 1,3,5-TRITMS $$ 1,3,5-TRIHYDROXYBENZENE 3TM
100 342
73 Si
80 327 O
60
40 O
147 Si
20 45
Si O
43 63 90 119 179 207 237 253 313
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
CompName:Silane, [1,3,5-benzenetriyltris(oxy)]tris[trimethyl- (CAS) $$ PHLOROGLUCINOL TRITMS $$ 1,3,5-TRIHYDROXYBENZENE 1,3,5-TRITMS $$ 1,3,5-TRIHYDROXYBENZENE 3TM
100 342
Si
80 327
73 O
60
40 O
Si
20 45
147 Si O
1828 63 91 119 156 173 221237 253 313
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
CompName:TETRAHYDROXYBENZENE 4TMS
100 73 430
80
60
40
20 45
16 147 179 224 254 311 327 415 434
131
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
CompName:Germacrene D $$ 1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-, [s-(E,E)]- (CAS) $$ 8-Isopropyl-1-methyl-5-methylene-1,6-cyclodecadiene $$ Germacra-1(10),4(15),5-trie
100 161
80 105
91
60 41
81
119
40 55
53 67 133
20 29 204
95 134
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
CompName:Naphthalene, 1,2,3,4,4a,7-hexahydro-1,6-dimethyl-4-(1-methylethyl)- (CAS) $$ 4,10-DIMETHYL-7-ISOPROPYL-BICYCLO(4.4.0)-1,4-DECADIENE $$ 1,2,3,4,4A,7-HEXAHYDRO-4-
100 119
80 105
60 161
40
41 91 204
20 55 69
1828 43 128 147
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
<< Target >>
100 41
80 69
60
40
20 136 80 93 107
30 153 172 195 214 250 270 297 316 342 363 384 409 435 460 487 509 544 563 582 614 634649 679 699 724 751 771 794
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:Geranyl acetate $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)- (CAS) $$ Geraniol acetate (CAS) $$ Bay pine (oyster) oil $$ Acetic acid geraniol ester $$ trans-3,7-Dimethyl-2,6-octadien
100 69
41
80
O
60
40 O
93
20 27 53 121
57 77 105 127 154
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 41
80 69
O
60
40 68
O
20 53
80 92 136
57 107
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 69
80
43
O
60
40 O
93
20 121
44 77 92 105 154
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:Neryl acetate $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)- (CAS) $$ Nerol acetate (CAS) $$ Linalyl, neryl, geranyl acetates, mixture $$ (2Z)-3,7-Dimethyl-2,6-octadienyl acetate $$ (2
100 69
80 41
O
60 43
40 93 O
20 27 53
80
121
7785 105 127 154
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:NERYL ACETATE
100 69
80 41
43
60 O
40 93
O
20 80 121136
53
57 7785 105 127 154
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
100 81 123
41
80
161
60
40 43
20 65 91
105 133
31 147 173 190205 237 261276 302 325 344 372 392 417432448464 482 499 526542558 577 595 618 645 662 699 717 738 756 792
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:.BETA. BOURBONENE $$ CYCLOBUTA[1,2:3,4]DICYCLOPENTENE, 1,2,3,3A,3B.BETA.,4,5,6,6A.BETA.,6B.ALPHA.-DECAHYDRO-1.ALPHA.-ISOPRO PYL-3A.ALPHA.-MET
100 81
80
123
60
40
161
20 41 77 91 105
55
43 67 107 124
147 204
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:.beta.-Bourbonene $$ Cyclobuta[1,2:3,4]dicyclopentene, decahydro-3a-methyl-6-methylene-1-(1-methylethyl)-, [1S-(1.alpha.,3a.alpha.,3b.beta.,6a.beta.,6b.alpha.)]- (CAS) $$ (-)-.beta.-Bou
100 81
80 123
60
161
40
20 41 91 105 124
53 67
29 134 189204
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:.alpha.-Bourbonene
100 28 81
80
60
123
40 41
77 91 105 161
20 32
53 67
95
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 81
80
60 123
40
161
20 41
27 43 55 67 91 105 121
133 162 204
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 81
80
60 123
40
161
20 41
27 43 55 67 91 105
133 162 204
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
100 41
80
60 53 67
40 81
147 190
93 107 133
20 176
30 205 230 249264 286 314 334 356 387 404 428 457473 491507 527542 559 587 604 625 656 681 709 730 753 774 793
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:(-)-.beta.-Elemene $$ Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1.alpha.,2.beta.,4.beta.)]- (CAS) $$ CIS-1,3-DIISOPROPENYL-TRANS-4-VINYL-4-METHYLCY
100 41 81
68
80
93
60 53
27 107
40 91
147 189
20 43
123 204
162
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:2,4-DIISOPROPENYL-1-METHYL-1-VINYL-CYCLOHEXANE $$ 2,4-DIISOPROPENYL-1-METHYL-1-VINYLCYCLOHEXANE # $$ (- )-BETE-ELEMENE $$ (1ALPHA,2BETA,4
100 41 68 81
93
80
60 39 53
107121
40 27
95
20 65 119
133
148
175
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)- (CAS) $$ 2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane $$ 2,4-DIISOPROPENYL-1-METHYL-1-VINYLCYCLOHEXANE
100 41 68 81
93
80
60 39 53
107121
40 27
95
20 65 119
133
148
175
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 81
41 68
93
80
60
53 107
40 39 121
27 94
20 65 119133148 189
175
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 81
41 68
93
80
60
53 107
40 121
77
20 105 133 161 189
43
175
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
100 41
80
60
40 55
69 133
79
20 93 120 147
176 205
30 231 259274 298 322 342 378 402 433 459 481496 514 542 567 588 612 634650 673689 707722 740 757 784
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:trans-Caryophyllene $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]- (CAS) $$ l-Caryophyllene $$ (-)-Caryophyllene $$ Caryophyllene $$ .beta.-Caryop
100 41
80
60
40 91
69
53 105 133
20 43 120
147 175
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:1,6,10-DODECATRIENE, 7,11-DIMETHYL-3-METHYLENE-, (E)- $$ (6E)-7,11-DIMETHYL-3-METHYLENE-1,6,10-DODECATRIENE # $$ (6E)-7,11-DIMETHYL-3-METHYLENE
100 41 69
80
60
40 93
27 55 79
20 91
107
133
43 147 204
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene- (CAS) $$ (6E)-7,11-Dimethyl-3-methylene-1,6,10-dodecatriene $$ (6E)-7,11-DIMETHYL-3-METHYLENE-1,6,10-DODECATRIENE #
100 41 69
80
60
40 93
27 55 79
20 91
107
133
43 147 204
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:Farnesol $$ 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl- (CAS) $$ Farnesyl alcohol $$ 3,7,11-trimethyl-2,6,10-dodecatrien-1-ol $$ Dihydrofarnesol $$ 3,7,11-Trimethyl-2,6,10-dodecatrieno
100 41
80
93
60 69 OH
40 55
79
27 91 107
20 43
123 147 189204
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 41
80 69
93
60
79
40 55 91 133
27 105120
20 43
147
122 189204
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
100 41
80
60 119
40 55 69
93
20 77 107
135 161 189204
30 230 259 277 303 327 347 368 404 422 447 471 502 524 550 585601 625 643 661 679 699 717 734 762
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 41
80
93
60 69 OH
40 55
79
27 91 107
20 43
123 147 189204
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 41
80
60
40 91
69
53 105 133
20 43 120
147 175
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene- (CAS) $$ (6E)-7,11-Dimethyl-3-methylene-1,6,10-dodecatriene $$ (6E)-7,11-DIMETHYL-3-METHYLENE-1,6,10-DODECATRIENE #
100 41 69
80
60
40 93
27 55 79
20 91
107
133
43 147 204
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:1,6,10-DODECATRIENE, 7,11-DIMETHYL-3-METHYLENE-, (E)- $$ (6E)-7,11-DIMETHYL-3-METHYLENE-1,6,10-DODECATRIENE # $$ (6E)-7,11-DIMETHYL-3-METHYLENE
100 41 69
80
60
40 93
27 55 79
20 91
107
133
43 147 204
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:,TRANS-.ALPHA.-BERGAMOTENE $$ Bergamotene $$ trans-.alpha.-Bergamotene $$ 2,6-Dimethyl-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]hept-2-ene $$ 2,6-Dimethyl-6-(4-methyl-3-pent
100 41 93
119
80
60
69
40 55 79 107
20 29 43 67
103 123 147 189
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
100 41
80 93
60
53 121 147
40 80
67
205
20 107
190
30 133 163 220 247 280 307 324 341357 376 406 430 453 487 513 545 572 601 620 637 670686701 722 743 783
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:.alpha.-Humulene (CAS) $$ 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)- (CAS) $$ 4,7,10-CYCLOUNDECATRIENE, 1,1,4,8-TETRAMETHYL-, ALL-CIS $$ Humulene $$ .alp
100 41
80
93
60 53 67
27 79 91
40
105 121
20 43
122 147 189204
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:.alpha.-Humulene (CAS) $$ 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)- (CAS) $$ 4,7,10-CYCLOUNDECATRIENE, 1,1,4,8-TETRAMETHYL-, ALL-CIS $$ Humulene $$ .alp
100 93
80
60 41
40 80
53
67
20 94107
29 136 161 204
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 41
80 69
93
60 79
40 55
77 105 133
107
20 43
147
189
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 41
80
93
60 69 OH
40 55
79
27 91 107
20 43
123 147 189204
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:1,5-CYCLOUNDECADIENE, 9-(1-METHYLETHYLIDENE)- $$ 9-(1-METHYLETHYLIDENE)-1,5-CYCLOUNDECADIENE # $$ 4,8-CYCLOUNDECADIENE, 1-ISOPROPYLIDEN
100 93
41
80 67 121
107
79
60
39
55
40
27 175190
119
20 65 95 134
148
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
100 161
80 41
60
40 55 105
67 79 91 133 205
20
30 147 176 222 249 269 286302 336 354 390 413 433 451 484 511 538 557 581 600616631 659 684 701 721 741 769 792
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
100 161
80 105
91
60 41
81
119
40 55
53 67 133
20 29 204
95 134
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
CompName:.beta.-Cubebene $$ 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, [3aS-(3a.alpha.,3b.beta.,4.beta.,7.alpha.,7aS*)]- (CAS) $$ .beta.-Cuve
100 161
80
60
40 91 105
41
81 93
20 55
69 162 204
27 43
131 147
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
100 161
80 105
91
41 119
60
79
40 27 39
55 67 120
20 18 204
147
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
CompName:.gamma.-Cadinene (CAS) $$ Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methylene-1-(1-methylethyl)-, (1.alpha.,4a.beta.,8a.alpha.)- (CAS) $$ .gamma. 2-cadinene $$ 1-Isopropyl
100 161
80 41
60 91 105
79
40 43 77 119
55 133 204
20 67
107 148 176 205
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
CompName:GERMACRENE-D $$ 1,6-CYCLODECADIENE, 1-METHYL-5-METHYLENE-8-(1-METHYLETHYL)-, [S-(E,E)]- $$ GERMACRA-1(10),4(15),5-TRIENE, (-)- $$ 8-ISOPROPYL-1-M
100 161
91 105
80
60
41 77 119
40
55 67 133
20 43 107 204
131 147 205
10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
<< Target >>
100 161
80
41
60
205
40
105 133
20 43 79
67 91
148
30 176 224 243 269 293 317 349 367 384 406 428 455471 489504 529 551 574589 609 630 653 681 700 719735 764 783
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:Calarene $$ 1H-Cyclopropa[a]naphthalene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, [1aR-(1a.alpha.,7.alpha.,7a.alpha.,7b.alpha.)]- (CAS) $$ .beta.-Gurjunene $$ 1(10)-Aristolen
100 161
80
60
40 41
91 105
20 55 69 107 133 189204
43
131 175 205
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:NAPHTHALENE, 1,2,3,4,4A,5,6,8A-OCTAHYDRO-7-METHYL-4-METHYLENE-1-(1-METHYLETHYL)-, (1.ALPHA.,4A.BETA.,8A.ALPHA.)- $$ 1-ISOPROPYL-7-METHYL-4-ME
100 161
80
60
40 41 91 105
81 119
20 55 133 162 204
27 43 67
131 148 189
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 161
80
60
40 41 91 105
162 189
20 55 69 133 204
29 43 122 175
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 161
80
60
40 41
91 105
162
20 27 43 55 69
133 189204
122 175
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:.gamma.-Cadinene (CAS) $$ Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methylene-1-(1-methylethyl)-, (1.alpha.,4a.beta.,8a.alpha.)- (CAS) $$ .gamma. 2-cadinene $$ 1-Isopropyl
100 161
80 41
60 91 105
79
40 43 77 119
55 133 204
20 67
107 148 176 205
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
100 161 205
80
41
60 119
134
40 105 190
55
20 65
8191
147
30 177 222 247 279 297 317 349 371 402 428 448 470 497513 531 550 572 597 614630645661 684 709 739 769 788
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:.delta.-Cadinene (CAS) $$ Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)- (CAS) $$ (+)-.delta.-Cadinene $$ Cadina-1(10),4-diene (CAS) $$ .delta.-Cadine
100 161
80
60 134
105
40 41 204
91 H
81
20 27 55 93 162 189
43 69 128 147
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 161
80
60 134
105119
40 41 204
91 H
81
20 55 189
43 69 106 128 147 205
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 161
80
105119
60 134
204
41 91
81
40
55 77 H
189
20 43 69 106 131 147 205
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
CompName:Cadinene $$ Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]- (CAS) $$ Cadina-3,9-diene (CAS) $$ (-)-.beta.-Cadinene $$ .beta.-C
100 161
80
60 204
105 134
40 81
41 91 189
162
20 55 69
27 43 131 147
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
100 161
80
60 134
105 204
40 41
8191 H
55
20 189 205
53 69 103 135
30 171
20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
100 282
80 73
60 328 416 504

40 147
342
20 400
41 59 87 109 138 161 178 207 237 257 278 305321 358373 428 456 488 524 543 573 591 611 634 660 698 726 754 773 798
30 70 110 150 190 230 270 310 350 390 430 470 510 550 590 630 670 710 750 790
CompName:TETRADECAMETHYLCYCLOHEPTASILOXANE $$ Cycloheptasiloxane, tetradecamethyl- (CAS)
100 73 281
80 Si O Si O Si
147
60 O O
Si Si
40 327 415 503
341 O Si O Si O
20 399 504
45 59 117 133 191 207 249 265 383 487
30 70 110 150 190 230 270 310 350 390 430 470 510 550 590 630 670 710 750 790
CompName:3-Isopropoxy-1,1,1,7,7,7-hexamethyl-3,5,5-tris(trimethylsiloxy)tetrasiloxane $$ 1-Isopropoxy-3,3,3-trimethyl-1-[(trimethylsilyl)oxy]disiloxanyl tris(trimethylsilyl) orthosilicate
100 73
80 Si
Si
O O
60 Si
Si
O
Si
O O
40 147
O O
Si
20 43 Si
221 281
327 415
41 59 133 207 399 503 519 561
30 70 110 150 190 230 270 310 350 390 430 470 510 550 590 630 670 710 750 790
CompName:C[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si]( (TXT=GC/MS HEXAKIS(TRIMETHYLSILOXY)DISILOXANE-MECL2)
100 73
80
147
60 221
591
40
20 207 281 415
327 399
45 59 131 355 503
279 383
30 70 110 150 190 230 270 310 350 390 430 470 510 550 590 630 670 710 750 790
CompName:TETRADECAMETHYLCYCLOHEPTASILOXANE $$ Cycloheptasiloxane, tetradecamethyl- (CAS) $$ 2,2,4,4,6,6,8,8,10,10,12,12,14,14-Tetradecamethylcycloheptasiloxane $$ tetradeca
100 73 281
147
80 327 415 Si O Si O Si
60 O O
503
Si Si
40 341
399 504 O Si O Si O
20 207
59
30 70 110 150 190 230 270 310 350 390 430 470 510 550 590 630 670 710 750 790
CompName:3-Butoxy-1,1,1,7,7,7-hexamethyl-3,5,5-tris(trimethylsiloxy)tetrasiloxane $$ 1-Butoxy-3,3,3-trimethyl-1-[(trimethylsilyl)oxy]disiloxanyl tris(trimethylsilyl) orthosilicate
100 73
Si
80 O O
Si
Si
O
Si Si
60 O
O
O
Si
O
40 147
Si
41 57
20 281 415
45 327 575
87 133 207 399 503518
30 70 110 150 190 230 270 310 350 390 430 470 510 550 590 630 670 710 750 790
Method
[Comment]
===== Analytical Line 1 =====
[AOC-20i+s]
# of Rinses with Presolvent :2
# of Rinses with Solvent(post) :10
# of Rinses with Sample :2
Plunger Speed(Suction) :High
Viscosity Comp. Time :0.2 sec
Plunger Speed(Injection) :High
Syringe Insertion Speed :High
Injection Mode :Normal
Pumping Times :5
Inj. Port Dwell Time :0.3 sec
Terminal Air Gap :No
Plunger Washing Speed :High
Washing Volume :8uL
Syringe Suction Position :0.0 mm
Syringe Injection Position :0.0 mm
Solvent Selection :only A
[GC-2010]
Column Oven Temp. :40.0 °C
Injection Temp. :250.00 °C
Injection Mode :Split
Flow Control Mode :Pressure
Pressure :24.9 kPa
Total Flow :31.7 mL/min
Column Flow :0.70 mL/min
Linear Velocity :30.2 cm/sec
Purge Flow :3.0 mL/min
Split Ratio :40.0
High Pressure Injection :OFF
Carrier Gas Saver :OFF
Splitter Hold :OFF
Oven Temp. Program
Rate Temperature(°C) Hold Time(min)
- 40.0 3.00
5.00 250.0 5.00
< Ready Check Heat Unit >

Column Oven : Yes
SPL1 : Yes
MS : Yes
< Ready Check Detector(FTD/BID) >
< Ready Check Baseline Drift >
< Ready Check Injection Flow >
SPL1 Carrier : Yes
SPL1 Purge : Yes
< Ready Check APC Flow >
< Ready Check Detector APC Flow >
External Wait :No
Equilibrium Time :3.0 min
[GC Program]
[GCMS-QP2010 Ultra]
IonSourceTemp :200.00 °C
Interface Temp. :250.00 °C
Solvent Cut Time :0.50 min
Detector Gain Mode :Relative to the Tuning Result
Detector Gain :1.00 kV +0.00 kV
Threshold :0
[MS Table]
--Group 1 - Event 1--
Start Time :4.00min
End Time :50.00min
ACQ Mode :Scan
Event Time :0.30sec
Scan Speed :3333
Start m/z :30.00
End m/z :800.00
Sample Inlet Unit :GC
[MS Program]
Use MS Program :OFF

R F2 B1

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KEMENTRIAN RISET, TEKNOLOGI DAN PENDIDIKAN TINGGI

Chromatogram R-F2-B1 C:\GCMSsolution\Data\Project1\22042021\R-F2-B1.qgd

Quantitative Result Table

43 63 90 119 179 207 237 253 313

1828 63 91 119 156 173 221237 253 313

60 328 416 504

===== Analytical Line 1 =====

< Ready Check Heat Unit >

Sample Inlet Unit :GC

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