Sample Information

Analyzed by : 3/4/2015 1:40:49 PM

Sample Name : minyak atsiri/nurdin
Sample ID : MS 3_15_3
Injection Volume : 0.20
Method File : C:\GCMSsolution\Data\metoda\atsiri.qgm
Tuning File : C:\GCMSsolution\System\Tune1\11 desember 2014.qgt

Chromatogram minyak atsiri/nurdin C:\GCMSsolution\Data\pengukuran 2015\maret 2015\ms mart 3.qgd

TIC
3

6,383,334
2

8
1
4
5

7
6

1.0 10.0 20.0 26.0

min
Peak Report TIC
Peak# R.Time Height Area Area% A/H Name
1 1.380 26308 28784 0.20 1.09 Ethanol
2 1.451 294062 359063 2.56 1.22 Acetic acid, methyl ester (CAS) Methyl acetate
3 1.591 6365461 13483076 95.97 2.12 Acetic acid, ethyl ester (CAS) Acetic acid ethyl ester (CAS) Ethyl acetate
4 1.720 1785 1101 0.01 0.62 Acetic acid, 1-methylethyl ester
5 1.907 14645 20125 0.14 1.37 Propanoic acid, ethyl ester
6 2.159 6620 7717 0.05 1.17 Acetic acid, 1-methylpropyl ester
7 17.805 7727 40058 0.29 5.18 2-Pentadecanone, 6,10,14-trimethyl-
8 24.090 39366 109679 0.78 2.79 Hexanedioic acid, bis(2-ethylhexyl) ester
6755974 14049603 100.00

Library
<< Target >>
Line#:1 R.Time:1.380(Scan#:277) MassPeaks:187
RawMode:Averaged 1.375-1.385(276-278) BasePeak:45.00(14396)
BG Mode:Calc. from Peak Group 1 - Event 1
100 45

42
35 69 8087 98 113 138 161 180 201 214 231241 257 276286 314324 349 377 391 405 420 447 460 487

0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480
Hit#:1 Entry:47 Library:NIST08s.LIB
SI:96 Formula:C2H6O CAS:64-17-5 MolWeight:46 RetIndex:463
CompName:Ethanol $$ Ethyl alcohol $$ Alcohol $$ Alcohol anhydrous $$ Algrain $$ Anhydrol $$ Denatured ethanol $$ Ethyl hydrate $$ Ethyl hydroxide $$ Jayso
100 31

45 OH
27
13

0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480
Hit#:2 Entry:48 Library:NIST08s.LIB
SI:93 Formula:C2H6O CAS:115-10-6 MolWeight:46 RetIndex:296
CompName:Dimethyl ether $$ Methane, oxybis- $$ Methyl ether $$ Methoxymethane $$ Wood ether $$ Oxybismethane $$ (CH3)2O $$ Ether, dimethyl $$ Ethe
100 45
29

15

O
13

0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480
Hit#:3 Entry:8767 Library:NIST08.LIB
SI:90 Formula:C4H6O5 CAS:595-98-2 MolWeight:134 RetIndex:1223
CompName:Methyltartronic acid $$ 2-Hydroxy-2-methylmalonic acid # $$
100 45
OH
O
OH
29 OH O
27
13 56 75 90 133

0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480
Hit#:4 Entry:224 Library:WILEY7.LIB
SI:89 Formula:C H3 N O CAS:865-40-7 MolWeight:45 RetIndex:0
CompName:Methane, nitroso- (CAS) Nitrosomethane $$ CH3NO $$
100 45

ON Me
33 41

0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480
Hit#:5 Entry:1116 Library:NIST08.LIB
SI:89 Formula:C3H6O3 CAS:79-33-4 MolWeight:90 RetIndex:838
CompName:(S)-2-Hydroxypropanoic acid $$ Lactic acid $$ L-(+)-Lactic acid $$ Propanoic acid, 2-hydroxy-, (S)- $$ Lactic acid, L- $$ Espiritin $$ (S)-2-Hydroxyp
100 45
OH
O
29
27
OH
24 58 75 90

0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480
<< Target >>
Line#:2 R.Time:1.450(Scan#:291) MassPeaks:216
RawMode:Averaged 1.445-1.455(290-292) BasePeak:43.00(173579)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43

74
59
36 84 104 117 131 144 167 182 207 227 247257 270 290300 320330 345 363373 388 403 428438 456 476 491

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
Hit#:1 Entry:1688 Library:WILEY7.LIB
SI:98 Formula:C3 H6 O2 CAS:79-20-9 MolWeight:74 RetIndex:0
CompName:Acetic acid, methyl ester (CAS) Methyl acetate $$ Devoton $$ Tereton $$ Acetic acid methyl ester $$ Methyl ester of acetic acid $$ methyl acetate $
100 43

MeOAc
74
59
33 41

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
Hit#:2 Entry:1658 Library:WILEY7.LIB
SI:96 Formula:C2 H6 N2 O CAS:1068-57-1 MolWeight:74 RetIndex:0
CompName:Acetic acid, hydrazide (CAS) 374 $$ ENT-61241 $$ NSC 53155 $$ Acethydrazide $$ Acetohydrazide $$ Acetylhydrazine $$ Acetyl hydrazide $$ N-Ac
100 43

31

H 2 NNHAc
74
24 60

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
Hit#:3 Entry:423 Library:NIST08s.LIB
SI:93 Formula:C3H6O2 CAS:116-09-6 MolWeight:74 RetIndex:698
CompName:2-Propanone, 1-hydroxy- $$ Acetol $$ CH3C(O)CH2OH $$ Hydroxyacetone $$ Acetone alcohol $$ Acetylcarbinol $$ Hydroxypropanone $$ Methanol,
100 43

O
OH
31
74
25 56

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
Hit#:4 Entry:7670 Library:WILEY7.LIB
SI:91 Formula:C4 H6 O3 CAS:600-22-6 MolWeight:102 RetIndex:0
CompName:Propanoic acid, 2-oxo-, methyl ester (CAS) Methyl pyruvate $$ Pyruvic acid, methyl ester $$ Methylglyoxylic acid methyl ester $$ methyl 2-oxo-1-pr
100 43

Me CO C(O) OMe

36 59 73 86 102

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
Hit#:5 Entry:2472 Library:NIST08.LIB
SI:91 Formula:C4H8O3 CAS:542-59-6 MolWeight:104 RetIndex:829
CompName:1,2-Ethanediol, monoacetate $$ Ethylene glycol, monoacetate $$ .beta.-Hydroxyethyl acetate $$ Ethylene glycol, acetate $$ Glycol, monoacetate $$
100 43

O O
OH

74
31 61
13 86

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
<< Target >>
Line#:3 R.Time:1.590(Scan#:319) MassPeaks:277
RawMode:Averaged 1.585-1.595(318-320) BasePeak:43.05(2895476)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43

61 70
89
36 98 114 131 143 159 179189 204214 232 247257 272 292 305 330 342 375 388 413 438 453 465 478

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
Hit#:1 Entry:3918 Library:WILEY7.LIB
SI:95 Formula:C4 H8 O2 CAS:141-78-6 MolWeight:88 RetIndex:0
CompName:Acetic acid, ethyl ester (CAS) Acetic acid ethyl ester (CAS) Ethyl acetate $$ Acetidin $$ Acetic ether $$ Acetoxyethane $$ Ethyl ethanoate $$ Ethyl a
100 43

EtOAc
29 61
70
88
25

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
Hit#:2 Entry:978 Library:NIST08.LIB
SI:92 Formula:C4H8O2 CAS:590-90-9 MolWeight:88 RetIndex:798
CompName:2-Butanone, 4-hydroxy- $$ 2-Butanone, 4-hydroxy- $$ Methylolacetone $$ Monomethylolacetone $$ 3-Ketobutan-1-ol $$ 3-Oxo-1-butanol $$ 3-Oxo
100 43

OH
70
31 61 88
13

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
Hit#:3 Entry:3785 Library:WILEY7.LIB
SI:89 Formula:C4 H8 O2 CAS:0-00-0 MolWeight:88 RetIndex:0
CompName:
100 43

70
27 61 88
25

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
Hit#:4 Entry:227929 Library:WILEY7.LIB
SI:87 Formula:C15 H8 CL2 N2 O2 CAS:61995-44-6 MolWeight:318 RetIndex:0
CompName:3-(4,5-DICHLORO-2-CYANO-3,6-DIHYDROXY-1-PHENYL) INDOLE $$ Benzonitrile, 3,4-dichloro-2,5-dihydroxy-6-(1H-indol-3-yl)- (CAS)
100 43
H
N CN
OH

HO Cl
29 61 Cl
70 88 318
28

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
Hit#:5 Entry:7785 Library:WILEY7.LIB
SI:86 Formula:C5 H10 O2 CAS:109-60-4 MolWeight:102 RetIndex:0
CompName:Acetic acid, propyl ester (CAS) n-Propyl acetate $$ Propyl acetate $$ 1-Acetoxypropane $$ 1-Propyl acetate $$ Propyl ester of acetic acid $$ CH3CO
100 43

PrOAc
27 61
73
24 87 101

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
<< Target >>
Line#:4 R.Time:1.720(Scan#:345) MassPeaks:211
RawMode:Averaged 1.715-1.725(344-346) BasePeak:42.95(688)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43

41 61
87
37 80 106 120 131141 161 179 193 218 236 247 257 279 298 310 327337 355 370 387 419 433 445 461 483

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
Hit#:1 Entry:2240 Library:NIST08.LIB
SI:74 Formula:C5H10O2 CAS:108-21-4 MolWeight:102 RetIndex:621
CompName:Acetic acid, 1-methylethyl ester $$ Acetic acid, isopropyl ester $$ Isopropyl acetate $$ 2-Acetoxypropane $$ 2-Propyl acetate $$ CH3COOCH(CH3)2
100 43

O
61
41
87 O
27
14 101

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
Hit#:2 Entry:7788 Library:WILEY7.LIB
SI:71 Formula:C5 H10 O2 CAS:109-60-4 MolWeight:102 RetIndex:0
CompName:Acetic acid, propyl ester (CAS) n-Propyl acetate $$ Propyl acetate $$ 1-Acetoxypropane $$ 1-Propyl acetate $$ Propyl ester of acetic acid $$ CH3CO
100 43

PrOAc
61
27
41 73
21 87 101

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
Hit#:3 Entry:21398 Library:WILEY7.LIB
SI:70 Formula:C7 H14 O2 CAS:124472-60-2 MolWeight:130 RetIndex:0
CompName:1-isopropoxy-3-methyl-oxirane $$ Oxirane, 2-methyl-3-[(1-methylethoxy)methyl]-, trans- (CAS)
100 43

41 59
29
71
87

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
Hit#:4 Entry:535 Library:WILEY7.LIB
SI:70 Formula:C4 H10 CAS:106-97-8 MolWeight:58 RetIndex:0
CompName:Butane (CAS) n-Butane $$ LPG $$ R 600 $$ Diethyl $$ Freon 600 $$ Liquefied petroleum gas $$ n-C4H10 $$ Butanen $$ Butani $$ Methylethylmeth
100 43

41
Pr Me
58
37

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
Hit#:5 Entry:7204 Library:NIST08s.LIB
SI:70 Formula:C3H7ClO2S CAS:10147-37-2 MolWeight:142 RetIndex:938
CompName:Isopropylsulfonyl chloride $$ Propane-2-sulfonyl chloride $$ 2-Propanesulfonyl chloride $$
100 43
O
S Cl
41
27
O
64
14 76 85 99

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
<< Target >>
Line#:5 R.Time:1.905(Scan#:382) MassPeaks:272
RawMode:Averaged 1.900-1.910(381-383) BasePeak:57.00(5911)
BG Mode:Calc. from Peak Group 1 - Event 1
100 57

45 74 102
39 84 125 137 160 175 190 213 235245 273 291 306 321 343 361 374 386396406 421 441 457467 499

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
Hit#:1 Entry:2231 Library:NIST08.LIB
SI:93 Formula:C5H10O2 CAS:105-37-3 MolWeight:102 RetIndex:686
CompName:Propanoic acid, ethyl ester $$ Propionic acid, ethyl ester $$ Ethyl propanoate $$ Ethyl propionate $$ Propionic ester $$ Propionic ether $$ C2H5COO
100 29

57
O

27
O
75 102
45
13 87

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
Hit#:2 Entry:21597 Library:WILEY7.LIB
SI:86 Formula:C6 H10 O3 CAS:123-62-6 MolWeight:130 RetIndex:0
CompName:Propanoic acid, anhydride (CAS) Propionic anhydride $$ Propionyl oxide $$ Propanoic anhydride $$ Methylacetic anhydride $$ Propionic acid anhydri
100 57

29
Et C(O) OC(O) Et
27 74
45
13 105

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
Hit#:3 Entry:63887 Library:NIST08.LIB
SI:82 Formula:C12H24O4 CAS:0-00-0 MolWeight:232 RetIndex:1399
CompName:p-Dioxane, 2,3-bis(tert-butyloxy)-
100 57

O O

O O

41 73
26 86 103 119 159 175

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
Hit#:4 Entry:135076 Library:WILEY7.LIB
SI:82 Formula:C12 H24 O4 CAS:0-00-0 MolWeight:232 RetIndex:0
CompName:1,4-DIOXANE, 2,3-DI-TERT-BUTYLOXY- $$
100 57

41 73
26 86 103 119 159 175

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
Hit#:5 Entry:12185 Library:WILEY7.LIB
SI:82 Formula:C7 H12 D2 O CAS:22381-83-5 MolWeight:114 RetIndex:0
CompName:4,4-DIDEUTERO-HEPTEN-1-OL-3 $$
100 57

Pr CD 2 CH(OH) CH CH 2

74
41 87

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
<< Target >>
Line#:6 R.Time:2.160(Scan#:433) MassPeaks:257
RawMode:Averaged 2.155-2.165(432-434) BasePeak:43.00(2576)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43

56 87
41
38 73 101 124 142 157 175 187 202 220 235 258 272 293 320 337 361 391401 413 444 464 484

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
Hit#:1 Entry:4533 Library:NIST08.LIB
SI:89 Formula:C6H12O2 CAS:105-46-4 MolWeight:116 RetIndex:721
CompName:Acetic acid, 1-methylpropyl ester $$ Acetic acid, sec-butyl ester $$ sec-Butyl acetate $$ sec-Butyl alcohol acetate $$ 2-Butyl acetate $$ CH3COOCH(
100 43

O O

56 87
41
73
14 27 101 116

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
Hit#:2 Entry:13697 Library:WILEY7.LIB
SI:84 Formula:C6 H12 O2 CAS:123-86-4 MolWeight:116 RetIndex:0
CompName:Acetic acid, butyl ester (CAS) n-Butyl acetate $$ ETHANOIC ACID, BUTANOL ESTER $$ Butyl acetate $$ Butyl ethanoate $$ 1-Butyl acetate $$ Acetic
100 43

Me (CH 2 ) 3 OAc
56
27 41
73
87 98

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
Hit#:3 Entry:13721 Library:WILEY7.LIB
SI:84 Formula:C6 H12 O2 CAS:110-19-0 MolWeight:116 RetIndex:0
CompName:Acetic acid, 2-methylpropyl ester (CAS) Isobutyl acetate $$ 2-Methylpropyl acetate $$ Acetic acid isobutyl ester $$ Acetic acid, isobutyl ester $$ .bet
100 43

i-BuOAc
56
15 27 41 73
86 115

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
Hit#:4 Entry:7778 Library:NIST08.LIB
SI:80 Formula:C6H10O3 CAS:0-00-0 MolWeight:130 RetIndex:857
CompName:3-Hydroxy-2-butanone, acetate
100 43
O

O O
87
14 29 56 70 130

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
Hit#:5 Entry:7803 Library:WILEY7.LIB
SI:80 Formula:C5 H10 O2 CAS:108-21-4 MolWeight:102 RetIndex:0
CompName:Acetic acid, 1-methylethyl ester (CAS) Isopropyl acetate $$ 2-Acetoxypropane $$ 2-Propyl acetate $$ Acetic acid, isopropyl ester $$ Isopropyl ester
100 43

i-PrOAc
61
41 87
31 73 101

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
<< Target >>
Line#:7 R.Time:17.805(Scan#:3562) MassPeaks:252
RawMode:Averaged 17.800-17.810(3561-3563) BasePeak:43.00(979)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43
58

71
41
85 109
124
137 147 165 250
36 179 207 225 275 290 305315 328 348 360 383 403 431441451 471 484 496

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
Hit#:1 Entry:89229 Library:NIST08.LIB
SI:90 Formula:C18H36O CAS:502-69-2 MolWeight:268 RetIndex:1754
CompName:2-Pentadecanone, 6,10,14-trimethyl- $$ Hexahydrofarnesyl acetone $$ 6,10,14-Trimethyl-2-pentadecanone $$
100 43 58

O
71
41
85 109
27 124 250
140 165 179 210

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
Hit#:2 Entry:41878 Library:NIST08.LIB
SI:84 Formula:C13H26O CAS:1604-34-8 MolWeight:198 RetIndex:1321
CompName:2-Undecanone, 6,10-dimethyl- $$ Hexahydropseudoionone $$ Pseudoionone, hexahydro- $$ Tetrahydrogeranylacetone $$ 6,10-Dimethyl-2-undecan
100 43 58

41 71
85
27 109 180
123 137 155 198

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
Hit#:3 Entry:99254 Library:NIST08.LIB
SI:82 Formula:C19H38O CAS:629-66-3 MolWeight:282 RetIndex:2046
CompName:2-Nonadecanone $$ Methyl heptadecyl ketone $$
100 58
43

O
71
41
85
27 111 127 222 264 282

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
Hit#:4 Entry:50922 Library:NIST08.LIB
SI:81 Formula:C14H28O CAS:73105-73-4 MolWeight:212 RetIndex:1485
CompName:6-Methyl-2-tridecanone
100 58
43

71
41
85
109 194
27 125
138 152 169 212

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
Hit#:5 Entry:165826 Library:NIST08.LIB
SI:80 Formula:C26H50O2 CAS:0-00-0 MolWeight:394 RetIndex:2878
CompName:Hexacosa-2,25-dione
100 43

58
O

71 O

41 95 109 125 394

29 336
240 254 278 318

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
<< Target >>
Line#:8 R.Time:24.090(Scan#:4819) MassPeaks:257
RawMode:Averaged 24.085-24.095(4818-4820) BasePeak:129.05(7657)
BG Mode:Calc. from Peak Group 1 - Event 1
100 129

57
70
55 111 147
41
84 241
35 157 178 190 212 230 259 293 308 327 349 363 385 416 431 445 458 488

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
Hit#:1 Entry:155684 Library:NIST08.LIB
SI:98 Formula:C22H42O4 CAS:103-23-1 MolWeight:370 RetIndex:2414
CompName:Hexanedioic acid, bis(2-ethylhexyl) ester $$ Adipic acid, bis(2-ethylhexyl) ester $$ Adipol 2EH $$ Bis(2-ethylhexyl) adipate $$ Bisoflex DOA $$ Di(2-
100 129

O
O
O

57 O

55 70 112
111 147
41 84 241 259
27 157 199 212

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
Hit#:2 Entry:268036 Library:WILEY7.LIB
SI:95 Formula:C22 H42 O4 CAS:123-79-5 MolWeight:370 RetIndex:0
CompName:Hexanedioic acid, dioctyl ester (CAS) Dioctyl adipate $$ DOA $$ Adiimoll DO $$ Di-n-octyl adipate $$ Octyl adipate $$ Adipic acid dioctyl ester $$ Ad
100 129

57 Me (CH 2 ) 7 O C(O) (CH 2 ) 4 C(O) O(CH 2 ) 7 Me

70 112
55
41 147
84 111 241 259
157 199 212

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
Hit#:3 Entry:155683 Library:NIST08.LIB
SI:92 Formula:C22H42O4 CAS:1330-86-5 MolWeight:370 RetIndex:2414
CompName:Diisooctyl adipate $$ Hexanedioic acid, diisooctyl ester $$ Monoplex DIOA $$ Plasthall DIOA $$ Bis(6-methylheptyl) hexanedioate # $$
100 129

57 O

55 O
O
41 O
70
147
111
27 84 241 259
157 199 212

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
Hit#:4 Entry:21969 Library:NIST08s.LIB
SI:90 Formula:C14H26O4 CAS:4337-65-9 MolWeight:258 RetIndex:1872
CompName:Hexanedioic acid, mono(2-ethylhexyl)ester $$ Mono-2-ethylhexyl adipate $$ 6-[(2-Ethylhexyl)oxy]-6-oxohexanoic acid # $$
100 129

O
HO
55 O
70
111 O
41 57 147
84
27 157 199 241 259

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
Hit#:5 Entry:179606 Library:NIST08.LIB
SI:88 Formula:C28H54O4 CAS:0-00-0 MolWeight:454 RetIndex:3075
CompName:Adipic acid, 2-ethylhexyl tetradecyl ester
100 129

O
O
O
O

55 71 147 325
111
41 87 241
27 212 259 283 343

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