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File
:
Operator
:
Acquired
:
Instrument :
Sample Name:
Misc Info :
Vial Number:
C:HPCHEM1DATACH36819B.D
Nicolie Aoki
27 Feb 2019 14:44
using AcqMethod HPFFAP2
CSS Instr
Eucalyptus(Young Living)
Black Fiber
1
Abundance
TIC: CH36819B.D
1700000
1600000
1500000
1400000
1300000
1200000
1100000
1000000
900000
800000
700000
600000
500000
400000
300000
200000
100000
Time–>
3.00
4.00
5.00
6.00
7.00
8.00
9.00 10.00 11.00 12.00 13.00 14.00 15.00 16.00 17.00 18.00 19.00 20.00 21.00
TIC: CH36819B.D
Eucalyptus(Young Living)
Peak#
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
Ret Time
2.505
3.181
3.262
3.487
5.329
5.387
5.448
6.525
6.701
6.809
6.892
6.964
7.014
7.082
7.143
7.203
7.406
7.846
7.952
8.426
9.175
9.561
10.357
14.472
15.098
16.170
Type
BB
PV
VV
VV
PV
VV
VV
VV
VV
VV
VV
VV
VV
VV
VV
VV
VV
VV
VV
PV
VB
BB
PV
VV
BV
BV
Width
0.057
0.091
0.184
0.236
0.099
0.062
0.036
0.281
0.136
0.085
0.078
0.055
0.046
0.061
0.052
0.052
0.070
0.153
0.026
0.042
0.031
0.034
0.034
0.036
0.035
0.035
Area
371262
5229080
7016444
5932032
3344172
2049366
949377
326801693
164123818
107240151
77267807
70943538
47045463
79733686
67481009
59685687
44668020
124118347
197404
196035
467318
258474
704478
417405
329971
343502
Start Time
2.403
2.913
3.249
3.468
5.133
5.350
5.429
5.466
6.534
6.718
6.832
6.911
6.982
7.028
7.105
7.171
7.249
7.513
7.922
8.361
9.120
9.510
10.296
14.425
14.972
16.093
End Time
2.689
3.249
3.468
4.041
5.350
5.429
5.466
6.534
6.718
6.832
6.911
6.982
7.028
7.105
7.171
7.249
7.513
7.922
7.988
8.516
9.256
9.629
10.424
14.580
15.200
16.260
File
:
Operator
:
Acquired
:
Instrument :
Sample Name:
Misc Info :
Vial Number:
C:HPCHEM1DATACH36819B.D
Nicolie Aoki
27 Feb 2019 14:44
using AcqMethod HPFFAP2
CSS Instr
Eucalyptus(Young Living)
Black Fiber
1
Abundance
130000
Average of 7.152 to 7.257 min.: CH36819B.D
43
125000
120000
115000
110000
105000
100000
95000
90000
85000
80000
75000
81
70000
65000
108
71
60000
93
55000
50000
154
55
45000
139
40000
35000
30000
25000
20000
15000
125
10000
65
5000
0
m/z–>
33
38
50
98
60
76
86
103
113 119
134
149
178
25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185
Hit 1 : Eucalyptol
C10H18O; MF: 939; RMF: 939; Prob 82.9%; CAS: 470-82-6; Lib: mainlib; ID: 8989.
43
100
81
O
108
71
69
50
55
84
93
41
39
53 58
0
10
30
79
125
65
31
20
139
40
50
60
70
154
96
67
27
15
111
80
90
100
110
120
136
130
140
150
160
170
(mainlib) Eucalyptol
O
Name: Eucalyptol
Formula: C10H18O
MW: 154 Exact Mass: 154.135765 CAS#: 470-82-6 NIST#: 341722 ID#: 8989 DB: mainlib
Other DBs: Fine, TSCA, RTECS, EPA, USP, HODOC, NIH, EINECS, IRDB
Contributor: NIST Mass Spectrometry Data Center
10 largest peaks:
43 999 | 81 654 | 108 560 | 71 492 | 111 470 | 84 454 | 69 414 | 55 400 |
Synonyms:
1.Cineole
2.2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl3.p-Menthane, 1,8-epoxy4.p-Cineole
5.Cajeputol
6.Cucalyptol
7.Eucapur
8.Terpan
Page 1 of 5
93 380 | 154 362 |
9.Zineol
10.1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane
11.1,8-Cineole
12.1,8-Epoxy-p-menthane
13.2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane
14.Cineol
15.Eucalyptole
16.NCI-C56575
17.1,8-Cineol
18.1,8-Oxido-p-menthane
19.Eukalyptol
20.NSC 6171
Page 2 of 5
Hit 6 : Trifluoroacetyl-α-terpineol
C12H17F3O2; MF: 796; RMF: 872; Prob 2.61%; Lib: mainlib; ID: 8065.
43
100
69
81
84
50
108
154
55
96
51
29
O
O
F
F
139
119
77
F
0
20
40
60
80
100
120
140
160
180
200
220
240
260
(mainlib) Trifluoroacetyl-α-terpineol
O
O
F
F
F
Name: Trifluoroacetyl-α-terpineol
Formula: C12H17F3O2
MW: 250 Exact Mass: 250.118065 NIST#: 58176 ID#: 8065 DB: mainlib
Contributor: W.VOELTER CHEM. INST., UNIV., TUBINGEN, GERMANY, F.R.G.
10 largest peaks:
43 999 | 69 600 | 45 530 | 81 510 | 71 450 | 84 440 | 108 430 | 154 420 |
Synonyms:
1.1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl trifluoroacetate #
Page 3 of 5
111 350 |
55 340 |
Hit 7 : Cyclohexanemethanol, 4-hydroxy-α,α,4-trimethylC10H20O2; MF: 789; RMF: 790; Prob 2.00%; CAS: 80-53-5; Lib: replib; ID: 6898.
59
100
OH
43
81
50
96
71
41
27 31
55
45
30
40
50
60
84
108
77
65
0
20
139
69
39
121
136
114
70
80
90
100
110
120
130
140
OH
154
150
160
170
180
(replib) Cyclohexanemethanol, 4-hydroxy-α,α,4-trimethyl-
OH
OH
Name: Cyclohexanemethanol, 4-hydroxy-α,α,4-trimethylFormula: C10H20O2
MW: 172 Exact Mass: 172.14633 CAS#: 80-53-5 NIST#: 156105 ID#: 6898 DB: replib
Other DBs: TSCA, NIH, EINECS
Contributor: Chemical Concepts
Related CAS#: 89923-77-3
10 largest peaks:
59 999 | 43 773 | 81 515 | 96 464 | 71 266 | 41 198 | 55 177 | 139 168 |
Synonyms:
1.p-Menthane-1,8-diol
2.Terpin
3.1,8-Terpin
4.Dipenteneglycol
5.4-(1-Hydroxy-1-methylethyl)-1-methylcyclohexanol #
6.p-Mentha-1,8-diol
7.NSC 403856
Page 4 of 5
58 166 |
69 159 |
Page 5 of 5
File
:
Operator
:
Acquired
:
Instrument :
Sample Name:
Misc Info :
Vial Number:
C:HPCHEM1DATACH36819B.D
Nicolie Aoki
27 Feb 2019 14:44
using AcqMethod HPFFAP2
CSS Instr
Eucalyptus(Young Living)
Black Fiber
1
Abundance
Average of 7.830 to 7.888 min.: CH36819B.D
119
180000
170000
160000
150000
140000
130000
120000
110000
100000
90000
80000
134
70000
91
60000
50000
40000
30000
20000
10000
41
65
51
77
103
58
m/z–>
71
128
86
108 113
98
139
149 154
169 176 183
46
34
0
25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190
Hit 1 : Benzene, 1-methyl-3-(1-methylethyl)C10H14; MF: 926; RMF: 945; Prob 20.7%; CAS: 535-77-3; Lib: replib; ID: 17252.
119
100
50
91
134
39
27
15
0
10
20
51
32
30
40
50
65
77
103
58
60
70
80
90
100
110
120
130
140
(replib) Benzene, 1-methyl-3-(1-methylethyl)-
Name: Benzene, 1-methyl-3-(1-methylethyl)Formula: C10H14
MW: 134 Exact Mass: 134.10955 CAS#: 535-77-3 NIST#: 113968 ID#: 17252 DB: replib
Other DBs: Fine, TSCA, RTECS, EPA, HODOC, NIH, EINECS, IRDB
Contributor: NIST Mass Spectrometry Data Center, 1990.
10 largest peaks:
119 999 | 91 357 | 134 237 | 117 147 | 65 113 | 77 110 | 120 101 | 39 93 | 115 89 |
Synonyms:
1.m-Cymene
2.β-Cymene
3.m-Cymol
4.m-Isopropyltoluene
5.m-Methylisopropylbenzene
6.1-Isopropyl-3-methylbenzene
7.1-Methyl-3-isopropylbenzene
8.1-Methyl-3-(1-methylethyl)-benzene
Page 1 of 6
51 73 |
9.1-Methyl-3-isopropyl benzene
10.3-Methyl-1-isopropylbenzene
11.meta-Cymene
12.3-Isopropyltoluene
13.NSC 73975
14.UN 2046 (Related)
Page 2 of 6
Hit 5 : o-Cymene
C10H14; MF: 904; RMF: 905; Prob 15.9%; CAS: 527-84-4; Lib: replib; ID: 17360.
119
100
50
134
91
15
27
39
51
43
0
10
20
30
40
50
58
60
77
65
70
80
93
90
103
100
128
110
120
130
140
150
(replib) o-Cymene
Name: o-Cymene
Formula: C10H14
MW: 134 Exact Mass: 134.10955 CAS#: 527-84-4 NIST#: 3133 ID#: 17360 DB: replib
Other DBs: Fine, TSCA, RTECS, EPA, HODOC, NIH, EINECS, IRDB
10 largest peaks:
119 999 | 134 234 | 91 163 | 39 110 | 120 99 | 15 74 | 117 71 | 41 70 |
Synonyms:
1.Benzene, 1-methyl-2-(1-methylethyl)2.o-Cymol
3.o-Isopropyltoluene
4.1-Isopropyl-2-methylbenzene
5.1-Methyl-2-isopropylbenzene
6.2-Isopropyltoluene
7.1-Methyl-2-(1-methylethyl)-benzene
8.Cymene, ortho
9.UN 2046
Page 3 of 6
27 69 |
77 69 |
10.1-(1-methylethyl)-2-methylbenzene
11.1-methyl,2-n-isopropylbenzene
12.ortho-Cymene
Page 4 of 6
Hit 10 : p-Cymene
C10H14; MF: 895; RMF: 900; Prob 14.0%; CAS: 99-87-6; Lib: replib; ID: 17342.
119
100
50
134
91
27
39
51
0
20
30
40
50
58
60
77
65
93
70
70
80
90
103
100
110
120
130
140
150
(replib) p-Cymene
Name: p-Cymene
Formula: C10H14
MW: 134 Exact Mass: 134.10955 CAS#: 99-87-6 NIST#: 156225 ID#: 17342 DB: replib
Other DBs: Fine, TSCA, RTECS, EPA, HODOC, NIH, EINECS, IRDB
Contributor: Chemical Concepts
10 largest peaks:
119 999 | 134 227 | 91 169 | 120 92 | 117 75 | 39 70 | 41 70 | 77 65 |
Synonyms:
1.Benzene, 1-methyl-4-(1-methylethyl)2.p-Cimene
3.p-Cymol
4.p-Isopropyltoluene
5.p-Methylisopropylbenzene
6.Camphogen
7.Dolcymene
8.1-Isopropyl-4-methylbenzene
Page 5 of 6
65 55 | 115 51 |
9.1-Methyl-4-isopropylbenzene
10.2-p-Tolylpropane
11.4-Isopropyl-1-methylbenzene
12.1-Methyl-4-(1-methylethyl)-benzene
13.Benzene, 1-isopropyl-4-methyl14.Cumene, p-methyl15.p-Isopropylmethylbenzene
16.Paracymene
17.Paracymol
18.p-Methylcumene
19.4-Isopropyltoluene
20.4-Methylisopropylbenzene
21.1-Methyl-4-isopropyl benzene
22.Benzene, 1-methyl-4(1-methylethyl)23.1-(1-methylethyl)-4-methylbenzene
24.benzene, 1-methyl-4-methylethyl25.p-Mentha-1,3,5-triene
26.NSC 4162
27.UN 2046 (Related)
Page 6 of 6
File
:
Operator
:
Acquired
:
Instrument :
Sample Name:
Misc Info :
Vial Number:
C:HPCHEM1DATACH36819B.D
Nicolie Aoki
27 Feb 2019 14:44
using AcqMethod HPFFAP2
CSS Instr
Eucalyptus(Young Living)
Black Fiber
1
Abundance
260000
Average of 7.725 to 7.878 min.: CH36819B.D
119
250000
240000
230000
220000
210000
200000
190000
180000
170000
160000
150000
140000
130000
120000
110000
134
100000
90000
80000
91
70000
60000
50000
40000
30000
41
77
65
20000
51
10000
0
m/z–>
103
58
36
46
71
86
98
108 113
128
139
149 154
169 176
183
25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190
Hit 1 : Benzene, 1-methyl-3-(1-methylethyl)C10H14; MF: 937; RMF: 948; Prob 22.4%; CAS: 535-77-3; Lib: replib; ID: 17252.
119
100
50
91
134
39
27
15
0
10
20
51
32
30
40
50
65
77
103
58
60
70
80
90
100
110
120
130
140
(replib) Benzene, 1-methyl-3-(1-methylethyl)-
Name: Benzene, 1-methyl-3-(1-methylethyl)Formula: C10H14
MW: 134 Exact Mass: 134.10955 CAS#: 535-77-3 NIST#: 113968 ID#: 17252 DB: replib
Other DBs: Fine, TSCA, RTECS, EPA, HODOC, NIH, EINECS, IRDB
Contributor: NIST Mass Spectrometry Data Center, 1990.
10 largest peaks:
119 999 | 91 357 | 134 237 | 117 147 | 65 113 | 77 110 | 120 101 | 39 93 | 115 89 |
Synonyms:
1.m-Cymene
2.β-Cymene
3.m-Cymol
4.m-Isopropyltoluene
5.m-Methylisopropylbenzene
6.1-Isopropyl-3-methylbenzene
7.1-Methyl-3-isopropylbenzene
8.1-Methyl-3-(1-methylethyl)-benzene
Page 1 of 6
51 73 |
9.1-Methyl-3-isopropyl benzene
10.3-Methyl-1-isopropylbenzene
11.meta-Cymene
12.3-Isopropyltoluene
13.NSC 73975
14.UN 2046 (Related)
Page 2 of 6
Hit 2 : p-Cymene
C10H14; MF: 937; RMF: 945; Prob 22.4%; CAS: 99-87-6; Lib: replib; ID: 17243.
119
100
50
91
134
39
27
15
0
10
20
51
32
30
40
50
77
65
89
58
60
70
80
90
103
128
100
110
120
130
140
(replib) p-Cymene
Name: p-Cymene
Formula: C10H14
MW: 134 Exact Mass: 134.10955 CAS#: 99-87-6 NIST#: 113988 ID#: 17243 DB: replib
Other DBs: Fine, TSCA, RTECS, EPA, HODOC, NIH, EINECS, IRDB
Contributor: NIST Mass Spectrometry Data Center, 1990.
10 largest peaks:
119 999 | 91 347 | 134 238 | 117 160 | 77 113 | 65 104 | 39 92 | 120 92 | 115 89 |
Synonyms:
1.Benzene, 1-methyl-4-(1-methylethyl)2.p-Cimene
3.p-Cymol
4.p-Isopropyltoluene
5.p-Methylisopropylbenzene
6.Camphogen
7.Dolcymene
8.1-Isopropyl-4-methylbenzene
Page 3 of 6
51 67 |
9.1-Methyl-4-isopropylbenzene
10.2-p-Tolylpropane
11.4-Isopropyl-1-methylbenzene
12.1-Methyl-4-(1-methylethyl)-benzene
13.Benzene, 1-isopropyl-4-methyl14.Cumene, p-methyl15.p-Isopropylmethylbenzene
16.Paracymene
17.Paracymol
18.p-Methylcumene
19.4-Isopropyltoluene
20.4-Methylisopropylbenzene
21.1-Methyl-4-isopropyl benzene
22.Benzene, 1-methyl-4(1-methylethyl)23.1-(1-methylethyl)-4-methylbenzene
24.benzene, 1-methyl-4-methylethyl25.p-Mentha-1,3,5-triene
26.NSC 4162
27.UN 2046 (Related)
Page 4 of 6
Hit 3 : o-Cymene
C10H14; MF: 934; RMF: 934; Prob 19.8%; CAS: 527-84-4; Lib: replib; ID: 17362.
119
100
50
134
91
27
15
0
10
20
30
41
40
51 57
50
60
77
65
70
80
93
90
103
100
110
120
130
140
150
(replib) o-Cymene
Name: o-Cymene
Formula: C10H14
MW: 134 Exact Mass: 134.10955 CAS#: 527-84-4 NIST#: 232297 ID#: 17362 DB: replib
Other DBs: Fine, TSCA, RTECS, EPA, HODOC, NIH, EINECS, IRDB
Contributor: Japan AIST/NIMC Database- Spectrum MS-NW-5332
10 largest peaks:
119 999 | 134 293 | 91 178 | 120 99 | 117 95 | 41 59 | 77 57 | 65 52 |
Synonyms:
1.Benzene, 1-methyl-2-(1-methylethyl)2.o-Cymol
3.o-Isopropyltoluene
4.1-Isopropyl-2-methylbenzene
5.1-Methyl-2-isopropylbenzene
6.2-Isopropyltoluene
7.1-Methyl-2-(1-methylethyl)-benzene
8.Cymene, ortho
Page 5 of 6
39 50 | 115 50 |
9.UN 2046
10.1-(1-methylethyl)-2-methylbenzene
11.1-methyl,2-n-isopropylbenzene
12.ortho-Cymene
Page 6 of 6
File
:
Operator
:
Acquired
:
Instrument :
Sample Name:
Misc Info :
Vial Number:
C:HPCHEM1DATACH36819B.D
Nicolie Aoki
27 Feb 2019 14:44
using AcqMethod HPFFAP2
CSS Instr
Eucalyptus(Young Living)
Black Fiber
1
Abundance
135000
Average of 6.483 to 6.579 min.: CH36819B.D
43
130000
125000
120000
115000
110000
105000
100000
95000
90000
85000
81
80000
75000
108
70000
71
93
65000
60000
55000
154
50000
55
67
45000
139
40000
35000
39
30000
25000
59
20000
121
15000
77
125
97
10000
25
30
35
112
63
47
33
0
m/z–>
85
51
5000
40
45
50
55
60
65
89
70
75
80
85
90
103
117
129 134
149
95 100 105 110 115 120 125 130 135 140 145 150 155 160 165
Hit 1 : Eucalyptol
C10H18O; MF: 921; RMF: 923; Prob 70.7%; CAS: 470-82-6; Lib: replib; ID: 2717.
43
100
81
50
71
68
41
O
84
108
93
111
55
139
39
154
96
79
53 58
121
65
136
0
30
40
50
60
70
80
90
100
110
120
130
140
150
160
(replib) Eucalyptol
O
Name: Eucalyptol
Formula: C10H18O
MW: 154 Exact Mass: 154.135765 CAS#: 470-82-6 NIST#: 379213 ID#: 2717 DB: replib
Other DBs: Fine, TSCA, RTECS, EPA, USP, HODOC, NIH, EINECS, IRDB
Contributor: Drug Lab
10 largest peaks:
43 999 | 81 603 | 108 504 | 93 470 | 71 452 | 84 431 | 111 417 | 68 391 |
Synonyms:
1.Cineole
2.2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl3.p-Menthane, 1,8-epoxy4.p-Cineole
5.Cajeputol
6.Cucalyptol
7.Eucapur
8.Terpan
Page 1 of 5
69 384 |
41 357 |
9.Zineol
10.1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane
11.1,8-Cineole
12.1,8-Epoxy-p-menthane
13.2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane
14.Cineol
15.Eucalyptole
16.NCI-C56575
17.1,8-Cineol
18.1,8-Oxido-p-menthane
19.Eukalyptol
20.NSC 6171
Page 2 of 5
Hit 6 : 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, transC10H18O; MF: 790; RMF: 794; Prob 2.88%; CAS: 29803-81-4; Lib: mainlib; ID: 9726.
43
100
OH
50
93
41
71
55
39
27
53
29
0
20
45
33
30
40
50
67
58
60
79
77
121
81
65
91
136
107
86
70
139
111
80
90
100
110
154
125
120
130
140
150
160
(mainlib) 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, trans-
OH
Name: 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, transFormula: C10H18O
MW: 154 Exact Mass: 154.135765 CAS#: 29803-81-4 NIST#: 107040 ID#: 9726 DB: mainlib
Other DBs: TSCA, EINECS
Contributor: N.W. Davies, Centr. Sci. Lab., Univ. Tasmania, Hobart, Australia
Related CAS#: 117064-02-5
10 largest peaks:
43 999 | 93 460 | 139 354 | 41 334 | 79 331 | 71 321 | 111 319 | 69 299 | 94 291 | 121 249 |
Synonyms:
1.1-Methyl-4-(methylethyl)-(E)-2-cyclohexenol
2.(E)-p-2-Menthen-1-ol
3.(E)-p-Menth-2-en-1-ol
4.(E)-p-Mentha-2-en-1-ol
5.Menth-2-en-1-ol (trans-p)
6.Menth-2-en-1-ol- trans-para
7.p-Menth-2-en-1-ol, trans
Page 3 of 5
8.t-p-Menth-2-en-1-ol
9.trans-2-Cyclohexene-1-ol-1-methyl-4(1-methylethyl)
10.trans-p-2-Menthen-1-ol
11.trans-para-Menth-2-en-1-ol
12.trans-para-Menth-2-ene-1-ol
13.trans-p-Ment-2-en-1-ol
14.trans-p-Menth-2-en-1-ol
15.trans-p-Menth-2-ene-1-ol
16.trans-p-Menth-2-enol
17.trans-p-Mentha-2-en-1-ol
18.4-Isopropyl-1-methyl-2-cyclohexen-1-ol, (E)-
Page 4 of 5
Hit 8 : Trifluoroacetyl-α-terpineol
C12H17F3O2; MF: 783; RMF: 866; Prob 2.17%; Lib: mainlib; ID: 8065.
43
100
69
81
84
50
108
154
55
96
51
29
O
O
F
F
139
119
77
F
0
20
40
60
80
100
120
140
160
180
200
220
240
260
(mainlib) Trifluoroacetyl-α-terpineol
O
O
F
F
F
Name: Trifluoroacetyl-α-terpineol
Formula: C12H17F3O2
MW: 250 Exact Mass: 250.118065 NIST#: 58176 ID#: 8065 DB: mainlib
Contributor: W.VOELTER CHEM. INST., UNIV., TUBINGEN, GERMANY, F.R.G.
10 largest peaks:
43 999 | 69 600 | 45 530 | 81 510 | 71 450 | 84 440 | 108 430 | 154 420 |
Synonyms:
1.1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl trifluoroacetate #
Page 5 of 5
111 350 |
55 340 |
File
:
Operator
:
Acquired
:
Instrument :
Sample Name:
Misc Info :
Vial Number:
C:HPCHEM1DATACH36819B.D
Nicolie Aoki
27 Feb 2019 14:44
using AcqMethod HPFFAP2
CSS Instr
Eucalyptus(Young Living)
Black Fiber
1
Abundance
Average of 3.121 to 3.370 min.: CH36819B.D
93
11500
11000
10500
10000
9500
9000
8500
8000
7500
7000
6500
6000
5500
5000
39
4500
77
4000
3500
3000
2500
2000
53
67
1500
121
105
1000
136
500
0
m/z–>
45
33
30
40
59
50
60
87
70
80
90
99
100
115
110
120
149
128
130
140
150
168
160
170
193
180
190
203
200
224
210
220
230
Hit 1 : (1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
C10H16; MF: 958; RMF: 959; Prob 28.3%; CAS: 7785-70-8; Lib: replib; ID: 13150.
93
100
50
91
77
41
79
53
43
105
67
63
40
50
60
70
136
89
75
0
121
80
90
100
110
120
130
140
150
(replib) (1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
Name: (1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
Formula: C10H16
MW: 136 Exact Mass: 136.1252 CAS#: 7785-70-8 NIST#: 140985 ID#: 13150 DB: replib
Other DBs: TSCA, EINECS
Contributor: Mark Whitten, Florida Museum of Natural History, U. of Florida
10 largest peaks:
93 999 | 91 454 | 92 440 | 77 358 | 41 325 | 79 270 | 53 135 | 105 118 | 121 115 |
Synonyms:
1.1R-α-Pinene
2.Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R)3.2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene-, (1R,5R)4.d-α-Pinene
5.1R-(+)-α-Pinene
6.(R)-α-Pinene
7.α-Pinene, (D)Page 1 of 5
80 111 |
Hit 2 : α-Pinene
C10H16; MF: 953; RMF: 959; Prob 22.8%; CAS: 80-56-8; Lib: mainlib; ID: 60228.
93
100
50
91
27
39
41
29
43
15
37
0
10
20
30
40
77
79
53
67
55
63
58
50
60
70
105
121
136
89
75
80
90
100
110
120
130
140
150
(mainlib) α-Pinene
Name: α-Pinene
Formula: C10H16
MW: 136 Exact Mass: 136.1252 CAS#: 80-56-8 NIST#: 134072 ID#: 60228 DB: mainlib
Other DBs: TSCA, RTECS, EPA, NIH, EINECS, IRDB
Contributor: NIST Mass Spectrometry Data Center, 1994
Related CAS#: 2437-95-8
10 largest peaks:
93 999 | 91 468 | 92 414 | 39 385 | 77 366 | 41 318 | 79 298 | 27 286 |
Synonyms:
1.Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl2.2-Pinene
3.2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
4.Pinene, α
5.2,6,6-Trimethylbicyclo(3.1.1)-2-hept-2-ene
6.2,6,6-Trimethylbicyclo[3.1.1]-2-heptene
7.Acintene A
Page 2 of 5
53 139 |
29 125 |
8.4,6,6-Trimethylbicyklo(3,1,1)hept-3-en
9.UN 2368
10.alpha-Pinene
11.PC 500
12.2,6,6-Trimethyl-bicyclo[3.1.1]hept-2-ene
13.Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (±)14.Sylvapine A
15.(±)-α-Pinene
16.NSC 7727
Page 3 of 5
Hit 5 : 3-Carene
C10H16; MF: 922; RMF: 934; Prob 6.10%; CAS: 13466-78-9; Lib: replib; ID: 13033.
93
100
50
41
39
77
27
43
29
91
121
53
136
105
67
0
20
30
40
50
60
70
80
90
100
110
120
130
140
150
(replib) 3-Carene
Name: 3-Carene
Formula: C10H16
MW: 136 Exact Mass: 136.1252 CAS#: 13466-78-9 NIST#: 34192 ID#: 13033 DB: replib
Other DBs: Fine, TSCA, RTECS, EPA, EINECS
Contributor: W. UTILIZATION R & D DIV., U.S. DEPT. OF AGRIC., ALBANY, CAL.
Related CAS#: 116783-27-8
10 largest peaks:
93 999 | 41 367 | 39 300 | 77 287 | 91 287 | 79 274 | 27 249 | 92 228 |
Synonyms:
1.Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl2.delta-3-Carene
3.3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene
4.δ 3-carene
5.3,7,7-Trimethylbicyclo[4.1.0]-3-heptene
6.3-Karen
7.3-Norcarene, 3,7,7-trimethylPage 4 of 5
80 205 | 121 173 |
8.4,7,7-Trimethyl-3-norcarene
9..DELTA.-caR-3-ene
10.3-δ-Carene
11.Car-3-ene
Page 5 of 5
TIC: CH36819G.D
Lemon(Young Living)
Peak#
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
Ret Time
3.171
4.335
4.473
4.525
4.630
5.216
5.304
5.501
6.264
6.336
6.415
6.522
7.065
7.407
7.547
7.655
8.503
9.467
10.442
10.665
10.786
10.957
11.978
12.083
12. …
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