Library Search Report

Data Path : D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\

Data File : LP1 01-03-2021.D
Acq On : 01 Mar 2021 12:17
Operator : AKSINGH\aksingh
Sample : Sample 1
Misc :
ALS Vial : 1 Sample Multiplier: 1
Search Libraries: D:\MassHunter\...ry\W11N17main.L Minimum Quality: 50
D:\MassHunter\Library\FFNSC2.L Minimum Quality: 0

Unknown Spectrum: Apex

Integration Events: ChemStation Integrator - autoint1.e
Abundance TIC: LP1 01-03-2021.D\DATA.MS
19.524
500000

18.653
450000

400000

350000

300000

250000

200000

150000

100000
16.883

50000 16.324 25.563

22.363 25.87527.554
18.912 23.550
14.479
13.608 15.971
15.787 24.157
10.918
9.85111.498
12.513
12.321
12.842 15.329 17.653
17.305
18.008 21.68223.421
3.155
3.180
3.227 13.009 14.675
14.231
14.545 16.936
15.644
16.048 18.173
17.359
17.221
17.502
16.693
16.565 19.052
20.55422.223 24.466
23.204 25.982
26.694
25.927
26.816
26.171
25.442 29.231
28.200 33.163 38.257
0
Time--> 4.00 6.00 8.00 10.00 12.00 14.00 16.00 18.00 20.00 22.00 24.00 26.00 28.00 30.00 32.00 34.00 36.00 38.00 40.00 42.00 44.00 46.00 48.00 50.00 52.00 54.00 56.00 58.00 60.00 62.00 64.00

default.m Tue Mar 02 09:49:07 2021 Page: 1

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 14 (3.154 min): LP1 01-03-2021.D\DATA.MS m/z 59.10 100.00%
9999
59

43 74 102
1483
m/z--> 20 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
Abundance #79587: Methyl (R)-2,2,3-trimethyl-4-oxobutanoate
9999 3.20 3.30 3.40 3.50 3.60
41 59
70 m/z 102.10 23.59%
55 73 101
45 87 115 128 143
3
m/z--> 20 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
Abundance #2085: Propane, 2-methoxy-
9999
59

27 31 41 74 3.20 3.30 3.40 3.50 3.60

38 45 55 62
1 m/z 43.10 18.99%
m/z--> 20 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
Abundance #2084: Propane, 2-methoxy-
9999
59

27 31 41 74
38 45 55
60
m/z--> 20 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 3.20 3.30 3.40 3.50 3.60
m/z 74.10 18.65%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 1 at 3.154 min Area: 8204 Area % 0.01

The 3 best hits from each library. Ref\# CAS\# Qual 3.20 3.30 3.40 3.50 3.60
--------------------------------------------------------------------- m/z 41.00 17.43%
D:\MassHunter\Library\W11N17main.L
1 Methyl (R)-2,2,3-trimethyl-4-oxo... 79587 997090-89-0 9
2 Propane, 2-methoxy- 2085 000598-53-8 7
3 Propane, 2-methoxy- 2084 000598-53-8 7
D:\MassHunter\Library\FFNSC2.L 3.20 3.30 3.40 3.50 3.60
1 Pinacol $$ 2,3-Butanediol, 2,3-d... 411 000076-09-5 1
2 Heptan-3-ol $$ 3-Heptanol 221 000589-82-2 1
3 Pentanol <3-> $$ 1-Ethyl-1-propanol 1949 000584-02-1 1

default.m Tue Mar 02 09:49:07 2021 Page: 2

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 20 (3.182 min): LP1 01-03-2021.D\DATA.MS m/z 59.10 100.00%
9999
59

41 73 74
1759
m/z--> 16 18 20 22 24 26 28 30 32 34 36 38 40 42 44 46 48 50 52 54 56 58 60 62 64 66 68 70 72 74 76 78 80 82 84
Abundance #2085: Propane, 2-methoxy-
9999 3.20 3.30 3.40 3.50 3.60
59
31 41 42 43 m/z 41.00 28.04%
29 73 74 75 76
26 27 33 37 38 40 44 45 46 55 56 57 58 60 61 62
1
m/z--> 16 18 20 22 24 26 28 30 32 34 36 38 40 42 44 46 48 50 52 54 56 58 60 62 64 66 68 70 72 74 76 78 80 82 84
Abundance #2021: Hydrazine, (1-methylethyl)-
9999
32 59
27
28
29 30 41 42 43 44 74
45 46 60 61 75 76 3.20 3.30 3.40 3.50 3.60
2 m/z 74.10 18.34%
m/z--> 16 18 20 22 24 26 28 30 32 34 36 38 40 42 44 46 48 50 52 54 56 58 60 62 64 66 68 70 72 74 76 78 80 82 84
Abundance #2023: Hydrazine, (1-methylethyl)-
9999
59
32
27
28
29 30 39 41 42 43 44 74
45
360
m/z--> 16 18 20 22 24 26 28 30 32 34 36 38 40 42 44 46 48 50 52 54 56 58 60 62 64 66 68 70 72 74 76 78 80 82 84 3.20 3.30 3.40 3.50 3.60
m/z 73.10 17.59%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 2 at 3.182 min Area: 4402 Area % 0.01

The 3 best hits from each library. Ref\# CAS\# Qual 3.20 3.30 3.40 3.50 3.60
---------------------------------------------------------------------
D:\MassHunter\Library\W11N17main.L
1 Propane, 2-methoxy- 2085 000598-53-8 7
2 Hydrazine, (1-methylethyl)- 2021 002257-52-5 7
3 Hydrazine, (1-methylethyl)- 2023 002257-52-5 7
D:\MassHunter\Library\FFNSC2.L
1 Undecanol <3-> $$ 3-Undecanol 2488 006929-08-4 1
2 Terpineol <trans-dihydro-alpha->... 2348 005114-00-1 1
3 Decanol <3-> $$ 3-Decanol 2269 001565-81-7 1

default.m Tue Mar 02 09:49:08 2021 Page: 3

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 29 (3.225 min): LP1 01-03-2021.D\DATA.MS m/z 59.20 100.00%
9999 59

41 43 73 102
1815
m/z--> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110
Abundance #2023: Hydrazine, (1-methylethyl)-
9999 3.20 3.30 3.40 3.50 3.60
59
32
28 42
74
m/z 73.00 30.29%
30 39 44
360
m/z--> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110
Abundance #2021: Hydrazine, (1-methylethyl)-
9999
32 59
28 42
44 74 3.20 3.30 3.40 3.50 3.60
30 46 61 76
2 m/z 41.00 25.24%
m/z--> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110
Abundance #2084: Propane, 2-methoxy-
9999
59

27 29 31 33 41 43 74
37 39 45 55 57
60
m/z--> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 3.20 3.30 3.40 3.50 3.60
m/z 74.10 22.24%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 3 at 3.225 min Area: 3852 Area % 0.01

The 3 best hits from each library. Ref\# CAS\# Qual 3.20 3.30 3.40 3.50 3.60
--------------------------------------------------------------------- m/z 102.10 21.27%
D:\MassHunter\Library\W11N17main.L
1 Hydrazine, (1-methylethyl)- 2023 002257-52-5 9
2 Hydrazine, (1-methylethyl)- 2021 002257-52-5 9
3 Propane, 2-methoxy- 2084 000598-53-8 7
D:\MassHunter\Library\FFNSC2.L 3.20 3.30 3.40 3.50 3.60
1 Pinacol $$ 2,3-Butanediol, 2,3-d... 411 000076-09-5 1
2 Pentanol <3-> $$ 1-Ethyl-1-propanol 1949 000584-02-1 1
3 Undecanol <3-> $$ 3-Undecanol 2488 006929-08-4 1

default.m Tue Mar 02 09:49:08 2021 Page: 4

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 1420 (9.849 min): LP1 01-03-2021.D\DATA.MS m/z 93.20 100.00%
9999
93 121
107
67 77 136
1557
m/z--> 15 20 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
Abundance #40243: Camphene
9999 9.60 9.80 10.00 10.20
41 93 121
27 67 79 m/z 121.30 69.51%
53 107
38 50 56 59 63 70 82 96 103 136
30 45 74 86 89 110 115 118 133
10
m/z--> 15 20 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
Abundance #40240: Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-
9999
41 93 121
27 67 79
53 107
38 50 56 59 63 70 74 82 86 89 103 136 9.60 9.80 10.00 10.20
45 110 115 118 124 133
1 m/z 121.00 64.17%
m/z--> 15 20 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
Abundance #40251: Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-
9999
41 93 121
67 79
27 107
53 82 136
38 50 56 59 63 70 75 89 96 100 103 110 115 118 124
1
m/z--> 15 20 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 9.60 9.80 10.00 10.20
m/z 107.10 41.28%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 4 at 9.849 min Area: 192818 Area % 0.31

The 3 best hits from each library. Ref\# CAS\# Qual 9.60 9.80 10.00 10.20
--------------------------------------------------------------------- m/z 90.90 37.52%
D:\MassHunter\Library\W11N17main.L
1 Camphene 40243 000079-92-5 91
2 Bicyclo[2.2.1]heptane, 2,2-dimet... 40240 000079-92-5 91
3 Bicyclo[2.2.1]heptane, 2,2-dimet... 40251 000079-92-5 90
D:\MassHunter\Library\FFNSC2.L 9.60 9.80 10.00 10.20
1 Mentha-2,8-diene <cis-meta-> $$ ... 2462 005208-51-5 87
2 Camphene $$ Bicyclo[2.2.1]heptan... 952 000079-92-5 86
3 Isocyclogeraniol $$ 3-Cyclohexen... 1315 068527-77-5 53

default.m Tue Mar 02 09:49:08 2021 Page: 5

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 1644 (10.916 min): LP1 01-03-2021.D\DATA.MS m/z 108.10 100.00%
9999
43 55 69 108
111
58 93 126
1526
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135
Abundance #27957: 5-Hepten-2-one, 6-methyl-
9999 10.60 10.80 11.00 11.20
43 69 108
55 m/z 69.10 85.32%
39 58 111
27 51 65 72 77 83 93 97 126
17
30
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135
Abundance #27951: 5-Hepten-2-one, 6-methyl-
9999
43
55 69 108
27 39 58 83 93 111 126 10.60 10.80 11.00 11.20
51 65 72 77 97 129
1 m/z 43.00 84.07%
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135
Abundance #28160: Cyclohexane, 1,2,3-trimethyl-, (1.alpha.,2.beta.,3.alpha.)-
9999
41 55 69 111
83 126
27 51 65 97
15 32 44 59 77 80 91
50
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 10.60 10.80 11.00 11.20
m/z 55.10 68.81%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 5 at 10.916 min Area: 208337 Area % 0.34

The 3 best hits from each library. Ref\# CAS\# Qual 10.60 10.80 11.00 11.20
--------------------------------------------------------------------- m/z 41.00 52.88%
D:\MassHunter\Library\W11N17main.L
1 5-Hepten-2-one, 6-methyl- 27957 000110-93-0 72
2 5-Hepten-2-one, 6-methyl- 27951 000110-93-0 72
3 Cyclohexane, 1,2,3-trimethyl-, (... 28160 001678-81-5 43
D:\MassHunter\Library\FFNSC2.L 10.60 10.80 11.00 11.20
1 Isobornyl isobutanoate <5-hydrox... 2132 107783-33-5 9
2 Dihydrofloralol $$ Cyclohexaneme... 1292 068480-15-9 9
3 Sesquilavandulol <(Z)-> $$ 4,8-D... 2196 131485-70-6 9

default.m Tue Mar 02 09:49:08 2021 Page: 6

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 1766 (11.497 min): LP1 01-03-2021.D\DATA.MS m/z 43.10 100.00%
9999
43 84
57 69
3860
m/z--> 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120
Abundance #3762: Piperidine
9999 11.20 11.40 11.60 11.80
56 84
44 m/z 84.00 73.43%
41 70
38 50 53 59 65 81 87
4
m/z--> 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120
Abundance #3763: Piperidine
9999
84
44 57
41 70 11.20 11.40 11.60 11.80
35 38 48 51 54 62 65 73 76 80 87
1 m/z 69.10 58.40%
m/z--> 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120
Abundance #43562: [1,5,5,6,7,7-2H6]-Dec-1-yne
9999
43 57 70 84
39
100
114
800
m/z--> 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 11.20 11.40 11.60 11.80
m/z 57.00 54.39%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 6 at 11.497 min Area: 31318 Area % 0.05

The 3 best hits from each library. Ref\# CAS\# Qual 11.20 11.40 11.60 11.80
--------------------------------------------------------------------- m/z 41.10 53.13%
D:\MassHunter\Library\W11N17main.L
1 Piperidine 3762 000110-89-4 90
2 Piperidine 3763 000110-89-4 90
3 [1,5,5,6,7,7-2H6]-Dec-1-yne 43562 997051-45-5 78
D:\MassHunter\Library\FFNSC2.L 11.20 11.40 11.60 11.80
1 Crotonaldehyde <3-methyl-> $$ 2-... 1630 000107-86-8 4
2 Benzene <hexahydro-> $$ Cyclohexane 1488 000110-82-7 4
3 Pentanol <3-methyl-> $$ 1-Pentan... 799 000589-35-5 4

default.m Tue Mar 02 09:49:09 2021 Page: 7

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 1939 (12.320 min): LP1 01-03-2021.D\DATA.MS m/z 93.10 100.00%
9999
68 79 93
107 136
121
2908
m/z--> 15 20 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
Abundance #254: Dihydrocarveol <1,6-> $$ Cyclohexanol, 2-methyl-5-(1-methylethenyl)-
9999 12.00 12.20 12.40 12.60
41 55 67 81 93 107 121
136 m/z 68.10 94.90%
58 70 97
45 51 77 84 111 139
320
m/z--> 15 20 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
Abundance #40755: Limonene
9999
39 68 93
27 53 79
107 121 136
23 30 36 42 45 50 56 59 62 65 71 75 82 86 89 96 103 115 118 127 132 12.00 12.20 12.40 12.60
2 m/z 78.90 70.75%
m/z--> 15 20 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
Abundance #40400: (+)-m-Mentha-1(6),8-diene
9999
68 93

27 41 53 79 107 121 136

50 65 82 103 110
1
m/z--> 15 20 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 12.00 12.20 12.40 12.60
m/z 94.10 64.97%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 7 at 12.320 min Area: 117879 Area % 0.19

The 3 best hits from each library. Ref\# CAS\# Qual 12.00 12.20 12.40 12.60
--------------------------------------------------------------------- m/z 67.10 60.71%
D:\MassHunter\Library\W11N17main.L
1 Limonene 40759 000138-86-3 68
2 Limonene 40755 000138-86-3 68
3 (+)-m-Mentha-1(6),8-diene 40400 001461-27-4 64
D:\MassHunter\Library\FFNSC2.L 12.00 12.20 12.40 12.60
1 Dihydrocarveol <1,6-> $$ Cyclohe... 254 000619-01-2 83
2 Dec-(7Z)-enal $$ 7-Decenal, (7Z)- 1878 021661-97-2 50
3 Dihydro carveol <neoiso-> $$ Cyc... 2671 018675-34-8 50

default.m Tue Mar 02 09:49:09 2021 Page: 8

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 1979 (12.511 min): LP1 01-03-2021.D\DATA.MS m/z 93.10 100.00%
9999
93
79 105 121
67
1204
m/z--> 5 10 15 20 25 30 35 40 45 50 5560 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145
Abundance #40363: 1,3,6-Octatriene, 3,7-dimethyl-, (E)-
9999 12.20 12.40 12.60 12.80
93
27 41 79 m/z 91.10 46.03%
53 105 108 121
38 50 56 63 67 82 89 136
2
m/z--> 5 10 15 20 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
Abundance #40587: Tricyclo[2.2.1.0(2,6)]heptane, 1,7,7-trimethyl-
9999
93

27 41 79 121 136 12.20 12.40 12.60 12.80

15 18 32 38 44 50 53 57 63 67 70 74 82 89 96 102105 108 115
10 m/z 92.10 31.18%
m/z--> 5 10 15 20 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
Abundance #40506: Tricyclo[2.2.1.0(2,6)]heptane, 1,3,3-trimethyl-
9999
93

27 30 39 79 121 136
15 43 50 53 58 62 65 68 74 82 89 96 102105 108 115
10
m/z--> 5 10 15 20 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 12.20 12.40 12.60 12.80
m/z 79.10 28.17%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 8 at 12.511 min Area: 95934 Area % 0.16

The 3 best hits from each library. Ref\# CAS\# Qual 12.20 12.40 12.60 12.80
--------------------------------------------------------------------- m/z 76.90 22.60%
D:\MassHunter\Library\W11N17main.L
1 1,3,6-Octatriene, 3,7-dimethyl-,... 40363 003779-61-1 83
2 Tricyclo[2.2.1.0(2,6)]heptane, 1... 40587 000508-32-7 83
3 Tricyclo[2.2.1.0(2,6)]heptane, 1... 40506 000488-97-1 83
D:\MassHunter\Library\FFNSC2.L 12.20 12.40 12.60 12.80
1 Tricyclene $$ Tricyclo[2.2.1.02,... 986 000508-32-7 83
2 Ocimene <(Z)-, beta-> $$ 1,3,6-O... 1030 003338-55-4 78
3 Sylvestrene $$ Cyclohexene, 1-me... 2258 001461-27-4 74

default.m Tue Mar 02 09:49:09 2021 Page: 9

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 2049 (12.844 min): LP1 01-03-2021.D\DATA.MS m/z 93.20 100.00%
9999 93
79
105
41 121
2438
m/z--> 5 10 15 20 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
Abundance #40735: Bicyclo[2.2.1]heptane, 7,7-dimethyl-2-methylene-
9999 12.60 12.80 13.00 13.20
79 93
41 121 m/z 79.10 59.05%
27 53 107 136
15 37 45 57 63 67 74 83 89 103 115
10
m/z--> 5 10 15 20 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
Abundance #62816: 8-methylene-2-exo-noradamantanol
9999
93
79
106 122 132 150 12.60 12.80 13.00 13.20
1 m/z 91.10 54.32%
m/z--> 5 10 15 20 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
Abundance #40248: Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-
9999
79 93
41 107 121
28 53 57 67 136
63 89 103
5
m/z--> 5 10 15 20 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 12.60 12.80 13.00 13.20
m/z 105.10 44.97%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 9 at 12.844 min Area: 91086 Area % 0.15

The 3 best hits from each library. Ref\# CAS\# Qual 12.60 12.80 13.00 13.20
--------------------------------------------------------------------- m/z 92.00 40.83%
D:\MassHunter\Library\W11N17main.L
1 Bicyclo[2.2.1]heptane, 7,7-dimet... 40735 000471-84-1 78
2 8-methylene-2-exo-noradamantanol 62816 116026-33-6 78
3 Bicyclo[2.2.1]heptane, 2,2-dimet... 40248 005794-03-6 78
D:\MassHunter\Library\FFNSC2.L 12.60 12.80 13.00 13.20
1 Carene <delta-3-> $$ Bicyclo[4.1... 1124 013466-78-9 72
2 Santolinatriene $$ 1,4-Hexadiene... 1063 002153-66-4 50
3 Ocimene <(Z)-, beta-> $$ 1,3,6-O... 1030 003338-55-4 38

default.m Tue Mar 02 09:49:10 2021 Page: 10

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 2084 (13.011 min): LP1 01-03-2021.D\DATA.MS m/z 85.00 100.00%
9999 85
57
69
41 97
2680
m/z--> 20 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
Abundance #6964: 2-Ethyl-1-pyrroline
9999 12.60 12.80 13.00 13.20 13.40
69
41 97 m/z 57.10 74.23%
56
82
11
m/z--> 20 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
Abundance #72686: 7-Octen-4-one, 2,6-dimethyl-
9999
57 69 85
41
97 12.60 12.80 13.00 13.20 13.40
29 37 45 53 61 65 79 91 105 112 121 125 139 154
10 m/z 69.10 52.58%
m/z--> 20 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
Abundance #72689: 3,7-Dimethyl-5-oxooc-1-ene
9999
41 57 69 85
97
154
3
m/z--> 20 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 12.60 12.80 13.00 13.20 13.40
m/z 97.10 28.18%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 10 at 13.011 min Area: 42068 Area % 0.07

The 3 best hits from each library. Ref\# CAS\# Qual 12.60 12.80 13.00 13.20 13.40
--------------------------------------------------------------------- m/z 40.80 27.84%
D:\MassHunter\Library\W11N17main.L
1 2-Ethyl-1-pyrroline 6964 997008-99-2 9
2 7-Octen-4-one, 2,6-dimethyl- 72686 001879-00-1 9
3 3,7-Dimethyl-5-oxooc-1-ene 72689 001879-00-1 9
D:\MassHunter\Library\FFNSC2.L 12.60 12.80 13.00 13.20 13.40
1 Pentanoate <trans-2-hexenyl-> $$... 1361 056922-74-8 2
2 Thiazole $$ Thiazole 830 000288-47-1 2
3 Dihydrotagetone $$ 7-Octen-4-one... 1211 001879-00-1 2

default.m Tue Mar 02 09:49:10 2021 Page: 11

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 2209 (13.606 min): LP1 01-03-2021.D\DATA.MS m/z 71.10 100.00%
9999
43 71 99
58 86
142
775
m/z--> 5 10 15 20 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
Abundance #50471: 4-Nonanone
9999 13.20 13.40 13.60 13.80 14.00
43 71
58 99 m/z 99.00 80.60%
27 39 86
14 31 53 67 81 113 142
70
m/z--> 5 10 15 20 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
Abundance #1946: Pentyl propyl ketone $$ 4-Nonanone
9999
43 71
58 99
86 13.20 13.40 13.60 13.80 14.00
48 53 63 67 77 81 95 109 113 127 142
20 m/z 43.10 67.93%
m/z--> 5 10 15 20 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
Abundance #50419: 3-Octanone, 2-methyl-
9999
43 71
99
39 51 55 59 63 67 77 81 86 95 113 142
1
m/z--> 5 10 15 20 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 13.20 13.40 13.60 13.80 14.00
m/z 86.10 30.54%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 11 at 13.606 min Area: 296446 Area % 0.48

The 3 best hits from each library. Ref\# CAS\# Qual 13.20 13.40 13.60 13.80 14.00
--------------------------------------------------------------------- m/z 57.90 27.03%
D:\MassHunter\Library\W11N17main.L
1 4-Nonanone 50471 004485-09-0 90
2 4-Nonanone 50472 004485-09-0 83
3 3-Octanone, 2-methyl- 50419 000923-28-4 72
D:\MassHunter\Library\FFNSC2.L 13.20 13.40 13.60 13.80 14.00
1 Pentyl propyl ketone $$ 4-Nonanone 1946 004485-09-0 90
2 Prenol $$ 2-Buten-1-ol, 3-methyl- 1156 000556-82-1 9
3 Pentanoate <2-methylpentyl-, 2-m... 1806 090397-38-9 9

default.m Tue Mar 02 09:49:10 2021 Page: 12

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 2340 (14.230 min): LP1 01-03-2021.D\DATA.MS m/z 149.90 100.00%
9999
150
135
7057
m/z--> 5 10 15 20 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
Abundance #62998: Furan, 3-methyl-2-(3-methyl-2-butenyl)-
9999 14.00 14.20 14.40 14.60
150
69 111 135
95 m/z 135.00 81.91%
1
m/z--> 5 10 15 20 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
Abundance #62214: 2-Methoxy-4-vinylphenol
9999
135 150
77 107
15 27 31 39 51 55 63 69 81 89 103 118 14.00 14.20 14.40 14.60
100 m/z 150.20 70.57%
m/z--> 5 10 15 20 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
Abundance #62273: Benzene, (1-propenylthio)-
9999
150
135
91 105 110 116
139 154
2
m/z--> 5 10 15 20 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 14.00 14.20 14.40 14.60

Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D

Sample : Sample 1
Peak Number: 12 at 14.230 min Area: 9968 Area % 0.02

The 3 best hits from each library. Ref\# CAS\# Qual

---------------------------------------------------------------------
D:\MassHunter\Library\W11N17main.L
1 Furan, 3-methyl-2-(3-methyl-2-bu... 62998 015186-51-3 5
2 2-Methoxy-4-vinylphenol 62214 007786-61-0 5
3 Benzene, (1-propenylthio)- 62273 022103-05-5 5
D:\MassHunter\Library\FFNSC2.L
1 Car-3-en-2-one $$ Bicyclo[4.1.0]... 2440 053585-45-8 5
2 Isophorone <4-methylene-> $$ 2-C... 2034 020548-00-9 5
3 Pyrazine <2-acetyl-, 3-ethyl-> $... 4 032974-92-8 4

default.m Tue Mar 02 09:49:11 2021 Page: 13

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 2392 (14.478 min): LP1 01-03-2021.D\DATA.MS m/z 71.00 100.00%
9999
71 93
43
55 67 80 121
83 105 109 136
735
m/z--> 20 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
Abundance #365: Linalool $$ 1,6-Octadien-3-ol, 3,7-dimethyl-
9999 14.20 14.40 14.60 14.80
41 55 71 93
80 m/z 93.10 94.97%
67 83 121
44 51 59 77 86 96 107 111 136139
80
m/z--> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160
Abundance #1267: Linalool isobutyrate $$ Propanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
9999
43 93
69 80
121
40 51 55 65 72 77 83 103 107 136139 154 14.20 14.40 14.60 14.80
40 m/z 43.00 50.79%
m/z--> 20 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
Abundance #40787: .gamma.-Terpinene
9999
93
77 121 136
27 39 43 51 55 58 62 65 68 80 89 102105108 115118
74
20
m/z--> 20 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 14.20 14.40 14.60 14.80
m/z 69.10 43.96%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 13 at 14.478 min Area: 361035 Area % 0.59

The 3 best hits from each library. Ref\# CAS\# Qual 14.20 14.40 14.60 14.80
--------------------------------------------------------------------- m/z 121.10 34.12%
D:\MassHunter\Library\W11N17main.L
1 1,6-Octadien-3-ol, 3,7-dimethyl- 71792 000078-70-6 53
2 Cyclofenchene 40508 000488-97-1 50
3 .gamma.-Terpinene 40787 000099-85-4 50
D:\MassHunter\Library\FFNSC2.L 14.20 14.40 14.60 14.80
1 Linalool $$ 1,6-Octadien-3-ol, 3... 365 000078-70-6 90
2 Linalool isobutyrate $$ Propanoi... 1267 000078-35-3 52
3 Linalyl acetate $$ 1,6-Octadien-... 368 000115-95-7 47

default.m Tue Mar 02 09:49:11 2021 Page: 14

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 2406 (14.544 min): LP1 01-03-2021.D\DATA.MS m/z 109.00 100.00%
9999
109

81
4537
m/z--> 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120
Abundance #12848: 4-Hydrazinylpyridine
9999 14.20 14.40 14.60 14.80
109
51 79 m/z 81.10 51.71%
39
42 45 54 65 69 75 82 94
20
m/z--> 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120
Abundance #13021: Pyridine, 4-methoxy-
9999
109
79
112 14.20 14.40 14.60 14.80
2 m/z 79.00 45.37%
m/z--> 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120
Abundance #13018: Pyridine, 4-methoxy-
9999
109
39 52 79
28 66 91
25 31 36 43 46 49 57 60 63 69 76 82 86 94 106 112
1
m/z--> 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 14.20 14.40 14.60 14.80

Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D

Sample : Sample 1
Peak Number: 14 at 14.544 min Area: 10625 Area % 0.02

The 3 best hits from each library. Ref\# CAS\# Qual

---------------------------------------------------------------------
D:\MassHunter\Library\W11N17main.L
1 4-Hydrazinylpyridine 12848 027256-91-3 5
2 Pyridine, 4-methoxy- 13021 000620-08-6 5
3 Pyridine, 4-methoxy- 13018 000620-08-6 5
D:\MassHunter\Library\FFNSC2.L
1 Menth-6-en-2,8-diol <trans-p-> $... 2928 042370-41-2 2
2 Phellandral $$ 1-Cyclohexene-1-c... 1104 021391-98-0 2
3 Sesquicineole <dehydro-> $$ 2-Ox... 1119 211237-38-6 2

default.m Tue Mar 02 09:49:11 2021 Page: 15

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 2433 (14.673 min): LP1 01-03-2021.D\DATA.MS m/z 137.10 100.00%
9999
69 81 109 137
123
41 95
55
3433
m/z--> 20 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
Abundance #66916: photocitral B
9999 14.40 14.60 14.80 15.00
41 69 81 109 123 137
55 95 m/z 109.10 90.19%
152
500
m/z--> 20 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
Abundance #67496: 1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-
9999
41 67 81 109 123 137 152
27 55
51 77 91 95
31 45 60 64 71 105 119 134 14.40 14.60 14.80 15.00
100 m/z 80.90 81.02%
m/z--> 20 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
Abundance #67494: 1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-
9999
41 67 81 109 123 137 152
27 55
51 77 91 95
31 45 60 64 71 105 119 134 155
3
m/z--> 20 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 14.40 14.60 14.80 15.00
m/z 69.20 73.77%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 15 at 14.673 min Area: 57236 Area % 0.09

The 3 best hits from each library. Ref\# CAS\# Qual 14.40 14.60 14.80 15.00
--------------------------------------------------------------------- m/z 123.30 63.11%
D:\MassHunter\Library\W11N17main.L
1 photocitral B 66916 006040-45-5 59
2 1-Cyclohexene-1-carboxaldehyde, ... 67496 000432-25-7 43
3 1-Cyclohexene-1-carboxaldehyde, ... 67494 000432-25-7 43
D:\MassHunter\Library\FFNSC2.L 14.40 14.60 14.80 15.00
1 Cyclocitral <beta-> $$ 1-Cyclohe... 2933 000432-25-7 38
2 Pinene oxide <beta-> $$ Spiro[bi... 2507 006931-54-0 25
3 Myrtanol <cis-> $$ Bicyclo(3.1.1... 2273 015358-92-6 12

default.m Tue Mar 02 09:49:11 2021 Page: 16

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 2571 (15.330 min): LP1 01-03-2021.D\DATA.MS m/z 121.00 100.00%
9999
121
105 136
79 93
1281
m/z--> 15 20 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
Abundance #40703: 1,3-Cyclopentadiene, 1,2,3,4,5-pentamethyl-
9999 15.00 15.20 15.40 15.60
121 136
105 m/z 136.05 57.37%
79 93
27 39 43 51 55 58 62 65 75 89 102 108 115 133
20
m/z--> 15 20 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
Abundance #40705: 1,3-Cyclopentadiene, 1,2,3,4,5-pentamethyl-
9999
121 136
105
39 79 93 15.00 15.20 15.40 15.60
43 50 53 58 62 65 74 89 102 108 115 118 124 128 133 139
1 m/z 105.10 50.55%
m/z--> 15 20 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
Abundance #40702: 1,3-Cyclopentadiene, 1,2,3,4,5-pentamethyl-
9999
121
105 136
27 39 51 79 91
30 43 46 55 58 62 65 68 72 75 82 87 94 98 102 108 111 115 118 124 128 133
1
m/z--> 15 20 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 15.00 15.20 15.40 15.60
m/z 93.10 30.08%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 16 at 15.330 min Area: 86327 Area % 0.14

The 3 best hits from each library. Ref\# CAS\# Qual 15.00 15.20 15.40 15.60
--------------------------------------------------------------------- m/z 91.00 28.31%
D:\MassHunter\Library\W11N17main.L
1 1,3-Cyclopentadiene, 1,2,3,4,5-p... 40703 004045-44-7 91
2 1,3-Cyclopentadiene, 1,2,3,4,5-p... 40705 004045-44-7 91
3 1,3-Cyclopentadiene, 1,2,3,4,5-p... 40702 004045-44-7 90
D:\MassHunter\Library\FFNSC2.L 15.00 15.20 15.40 15.60
1 Ocim-(4E,6Z)-ene <allo-> $$ 2,4,... 1701 007216-56-0 83
2 Isobazzanene $$ cyclohexene, 4-(... 2584 088661-59-0 40
3 Terpinyl acetate <alpha-> $$ 3-C... 279 000080-26-2 38

default.m Tue Mar 02 09:49:12 2021 Page: 17

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 2637 (15.644 min): LP1 01-03-2021.D\DATA.MS m/z 108.90 100.00%
9999 109
67 81
43
2405
m/z--> 5 10 15 20 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
Abundance #13052: 5-Heptenenitrile, (E)-
9999 15.40 15.60 15.80 16.00
81 109
67
m/z 81.00 42.31%
85
1
m/z--> 5 10 15 20 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
Abundance #98474: 3,7-Dimethyl-2-methylideneoct-4-enal
9999
109
41 55 67 81
95 15.40 15.60 15.80 16.00
123 151
2 m/z 67.00 36.53%
m/z--> 5 10 15 20 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
Abundance #12840: 2-Amino-4-methylpyrimidine
9999
109
43 67 82
15 27 35 39 52 94
10
m/z--> 5 10 15 20 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 15.40 15.60 15.80 16.00
m/z 70.00 29.22%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 17 at 15.644 min Area: 41118 Area % 0.07

The 3 best hits from each library. Ref\# CAS\# Qual 15.40 15.60 15.80 16.00
--------------------------------------------------------------------- m/z 42.90 28.16%
D:\MassHunter\Library\W11N17main.L
1 5-Heptenenitrile, (E)- 13052 055999-04-7 9
2 3,7-Dimethyl-2-methylideneoct-4-... 98474 997110-90-4 9
3 2-Amino-4-methylpyrimidine 12840 000108-52-1 5
D:\MassHunter\Library\FFNSC2.L 15.40 15.60 15.80 16.00
1 Phellandral $$ 1-Cyclohexene-1-c... 1104 021391-98-0 4
2 Verbenol <trans-> $$ Bicyclo[3.1... 1672 001820-09-3 2
3 Linalool acetate <dihydro-> $$ O... 2130 108597-90-6 2

default.m Tue Mar 02 09:49:12 2021 Page: 18

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 2667 (15.787 min): LP1 01-03-2021.D\DATA.MS m/z 69.10 100.00%
9999
69
41 109
53 65 81 91
515
m/z--> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195
Abundance #1459: Nona-1,3,7-triene <4,8-dimethyl-, (E)-> $$ 1,3,7-Nonatriene, 4,8-dimethyl-, (3E)-
9999 15.40 15.60 15.80 16.00 16.20
41 69
m/z 109.10 45.10%
53 79
65 83 91 95 103 107 115 122 135 150
20
m/z--> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195
Abundance #250925: (E,E)-4,8,12-Trimethyl-1,3,7,11-tridecatetraene
9999
69
81
41 15.40 15.60 15.80 16.00 16.20
53 94
600 m/z 41.10 40.50%
m/z--> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195
Abundance #375680: Succinic acid, di(3-methylbut-3-enyl) ester
9999
69
41 101 108
29 45 53 57 65 73 81 85 93 121 131 136 169 186
20
m/z--> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 15.40 15.60 15.80 16.00 16.20
m/z 108.10 24.71%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 18 at 15.787 min Area: 200031 Area % 0.33

The 3 best hits from each library. Ref\# CAS\# Qual 15.40 15.60 15.80 16.00 16.20
--------------------------------------------------------------------- m/z 67.10 14.88%
D:\MassHunter\Library\W11N17main.L
1 1,5-Heptadiene, 2,6-dimethyl- 25578 006709-39-3 37
2 (E,E)-4,8,12-Trimethyl-1,3,7,11-... 250925 062235-06-7 25
3 Succinic acid, di(3-methylbut-3-... 375680 997396-21-1 25
D:\MassHunter\Library\FFNSC2.L 15.40 15.60 15.80 16.00 16.20
1 Nona-1,3,7-triene <4,8-dimethyl-... 1459 019945-61-0 38
2 Dodeca-(2E,6Z)-dienal $$ 2,6-Dod... 1341 021662-13-5 25
3 Farnesol <(2E,6E)-> $$ 2,6,10-Do... 1894 000106-28-5 4

default.m Tue Mar 02 09:49:12 2021 Page: 19

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 2706 (15.973 min): LP1 01-03-2021.D\DATA.MS m/z 123.10 100.00%
9999
123
81 95
41 67 109 137
55
611
m/z--> 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260
Abundance #67311: photocitral A
9999 15.60 15.80 16.00 16.20
81 123
41 67 95 m/z 81.00 54.11%
55 109 137 152
200
m/z--> 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260
Abundance #399771: 4-Nitrophenyl bicyclo[4.1.0]heptane-7-carboxylate
9999
55 123
41 67 81 95
61 75 103 109 131 139 218 231 261 15.60 15.80 16.00 16.20
10 m/z 95.10 41.79%
m/z--> 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260
Abundance #43812: 2-Isopropyl-1,3-dimethyl-1-cyclopentene
9999
81 123
95
27 41 55 67 138
49 61 74 89 101 107 115 131
1
m/z--> 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 15.60 15.80 16.00 16.20
m/z 79.00 26.44%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 19 at 15.973 min Area: 278522 Area % 0.45

The 3 best hits from each library. Ref\# CAS\# Qual 15.60 15.80 16.00 16.20
--------------------------------------------------------------------- m/z 109.10 24.13%
D:\MassHunter\Library\W11N17main.L
1 photocitral A 67311 055253-28-6 64
2 4-Nitrophenyl bicyclo[4.1.0]hept... 399771 328938-65-4 59
3 2-Isopropyl-1,3-dimethyl-1-cyclo... 43812 061142-32-3 50
D:\MassHunter\Library\FFNSC2.L 15.60 15.80 16.00 16.20
1 Ethyl chrysanthemumate <cis-> $$... 2917 041641-26-3 47
2 Ethyl chrysanthemumate <trans-> ... 2916 041641-25-2 43
3 Veltolan <(E)-> $$ 2-Butenal, 2-... 2244 014398-40-4 38

default.m Tue Mar 02 09:49:13 2021 Page: 20

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 2722 (16.049 min): LP1 01-03-2021.D\DATA.MS m/z 69.00 100.00%
9999
69
121
41 95
4662
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125
Abundance #1214: Isoxazole
9999 15.80 16.00 16.20 16.40
40 69
29 m/z 121.00 68.42%
26 37 43 72
1
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125
Abundance #1224: Oxazole
9999
41 69

14 29 38 15.80 16.00 16.20 16.40

20 26 44 51 54
10 m/z 95.00 48.12%
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125
Abundance #1213: Isoxazole
9999
40 69
29
26 37 43 51 55
150
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 15.80 16.00 16.20 16.40
m/z 41.00 46.62%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 20 at 16.049 min Area: 18147 Area % 0.03

The 3 best hits from each library. Ref\# CAS\# Qual 15.80 16.00 16.20 16.40
---------------------------------------------------------------------
D:\MassHunter\Library\W11N17main.L
1 Isoxazole 1214 000288-14-2 4
2 Oxazole 1224 000288-42-6 4
3 Isoxazole 1213 000288-14-2 4
D:\MassHunter\Library\FFNSC2.L
1 Damascenone <(Z)-beta-> $$ 2-But... 2413 059739-63-8 1
2 Geranyl nitrile $$ 2,6-Octadiene... 934 005146-66-7 1
3 Ethyl propenyl ketone $$ 4-Hexen... 215 002497-21-4 1

default.m Tue Mar 02 09:49:13 2021 Page: 21

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 2780 (16.325 min): LP1 01-03-2021.D\DATA.MS m/z 109.10 100.00%
9999
67 81 94 109
41 119
53 77
59 63 84 105 123 137 152
338
m/z--> 20 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
Abundance #67620: 3,6-Octadienal, 3,7-dimethyl-
9999 16.00 16.20 16.40 16.60
41 67 81 94 109
55 91
m/z 94.10 81.77%
77 119 123
26 29 37 45 51 59 63 71 85 98 105 115 134137 152
10
m/z--> 20 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
Abundance #66898: (4S)-4-isopropylcyclohexene-1-carbaldehyde
9999
41 81 109
27 55 67 95
77
51 59 63 71 91 105 119 124127 134137 152 16.00 16.20 16.40 16.60
31 36 45 85 99 144 148 155
1 m/z 81.10 78.14%
m/z--> 20 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
Abundance #68148: Pentylidenecyclohexane
9999
67 81 109
96
41 55 152
27 51 77 91 123
63 71 85 105 137 155
10
m/z--> 20 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 16.00 16.20 16.40 16.60
m/z 67.10 71.96%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 21 at 16.325 min Area: 1096182 Area % 1.79

The 3 best hits from each library. Ref\# CAS\# Qual 16.00 16.20 16.40 16.60
--------------------------------------------------------------------- m/z 79.00 54.59%
D:\MassHunter\Library\W11N17main.L
1 3,6-Octadienal, 3,7-dimethyl- 67620 055722-59-3 60
2 (4S)-4-isopropylcyclohexene-1-ca... 66898 023963-70-4 58
3 Pentylidenecyclohexane 68148 039546-79-7 49
D:\MassHunter\Library\FFNSC2.L 16.00 16.20 16.40 16.60
1 Phellandral $$ 1-Cyclohexene-1-c... 1104 021391-98-0 45
2 Drimenol $$ 1-Naphthalenemethano... 205 019078-37-6 40
3 Verbenol <cis-> $$ Bicyclo[3.1.1... 971 001845-30-3 38

default.m Tue Mar 02 09:49:13 2021 Page: 22

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 2830 (16.563 min): LP1 01-03-2021.D\DATA.MS m/z 95.00 100.00%
9999
95

107 166
3284
m/z--> 5 10 15 20 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
Abundance #96004: .delta.-lactone octahydro-3-(hydroxymethyl)-1-pentatenecarboxylic acid
9999 16.20 16.40 16.60 16.80
41 67 80 93
122 m/z 166.00 34.53%
27 55 107 138 166
15 148
1
m/z--> 5 10 15 20 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
Abundance #98481: 1H-Indene, 1-ethyloctahydro-7a-methyl-, (1.alpha.,3a.beta.,7a.alpha.)-
9999
67 81 95
41 55 110 166
45 51 63 71 77 85 91 99 105 122 137 149 153 16.20 16.40 16.60 16.80
1 m/z 107.00 32.84%
m/z--> 5 10 15 20 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
Abundance #98000: 1,3,7,7-Tetramethylbicyclo[2.2.1]heptan-2-one
9999
73 95 108
45 166
29 33 59
22 41 55 67 91 124 137 151
1
m/z--> 5 10 15 20 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 16.20 16.40 16.60 16.80

Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D

Sample : Sample 1
Peak Number: 22 at 16.563 min Area: 6349 Area % 0.01

The 3 best hits from each library. Ref\# CAS\# Qual

---------------------------------------------------------------------
D:\MassHunter\Library\W11N17main.L
1 .delta.-lactone octahydro-3-(hyd... 96004 000000-00-0 9
2 1H-Indene, 1-ethyloctahydro-7a-m... 98481 056324-71-1 5
3 1,3,7,7-Tetramethylbicyclo[2.2.1... 98000 005811-48-3 5
D:\MassHunter\Library\FFNSC2.L
1 Patchenol <(E)-> $$ Ethanol, 2-(... 2398 058437-71-1 4
2 Undecadienal <2,4-trans,trans-> ... 379 030361-29-6 3
3 Pyrrole <2-formyl-> $$ 1H-Pyrrol... 1015 001003-29-8 2

default.m Tue Mar 02 09:49:13 2021 Page: 23

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 2857 (16.692 min): LP1 01-03-2021.D\DATA.MS m/z 95.00 100.00%
9999
95

110
3527
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120
Abundance #13325: Ethanone, 1-(2-furanyl)-
9999 16.40 16.60 16.80 17.00
95
110 m/z 110.30 35.27%
39 43
26 29 36 48 51 55 62 67 77 81
10
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120
Abundance #14035: Cyclohexene, 1,2-dimethyl-
9999
67 81 95
41 110
27 55
12 15 24 30 38 45 51 60 63 70 74 77 84 89 92 98 103 107 16.40 16.60 16.80 17.00
1
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120
Abundance #13327: Ethanone, 1-(2-furanyl)-
9999
95
110
15 18 39 43 67
25 28 32 36 51 55 60 63 77 81 98 113
1
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120

Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D

Sample : Sample 1
Peak Number: 23 at 16.692 min Area: 24231 Area % 0.04

The 3 best hits from each library. Ref\# CAS\# Qual

---------------------------------------------------------------------
D:\MassHunter\Library\W11N17main.L
1 Ethanone, 1-(2-furanyl)- 13325 001192-62-7 5
2 Cyclohexene, 1,2-dimethyl- 14035 001674-10-8 5
3 Ethanone, 1-(2-furanyl)- 13327 001192-62-7 5
D:\MassHunter\Library\FFNSC2.L
1 Furan <2-acetyl-> $$ Ethanone, 1... 113 001192-62-7 5
2 Pyrrole <2-formyl-> $$ 1H-Pyrrol... 1015 001003-29-8 2
3 Pyrrole <2-ethyl-> $$ 1H-Pyrrole... 1017 001551-06-0 2

default.m Tue Mar 02 09:49:14 2021 Page: 24

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 2897 (16.882 min): LP1 01-03-2021.D\DATA.MS m/z 81.10 100.00%
9999
67 81 94 109
41 77
51 55 59 63 105 119 123 137 152
180
m/z--> 5 10 15 20 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
Abundance #67620: 3,6-Octadienal, 3,7-dimethyl-
9999 16.60 16.80 17.00 17.20
41 67 81 94 109
55 m/z 109.10 78.27%
29 51 77 119 123
37 45 59 63 71 85 89 98 105 115 133 137 152
10
m/z--> 5 10 15 20 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
Abundance #67619: Isoneral
9999
41 67 81 94 109
55 77 119
29 37 45 51 59 63 71 85 89 98 105 115 123 127 133 137 152 16.60 16.80 17.00 17.20
10 m/z 67.10 69.56%
m/z--> 5 10 15 20 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
Abundance #13938: Cyclohexane, ethenyl-
9999
41 67 81
27 54
95 110
15 31 37 46 50 63 73 77 89 99 105
1
m/z--> 5 10 15 20 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 16.60 16.80 17.00 17.20
m/z 94.10 65.61%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 24 at 16.882 min Area: 1696434 Area % 2.76

The 3 best hits from each library. Ref\# CAS\# Qual 16.60 16.80 17.00 17.20
--------------------------------------------------------------------- m/z 79.10 46.96%
D:\MassHunter\Library\W11N17main.L
1 3,6-Octadienal, 3,7-dimethyl- 67620 055722-59-3 94
2 Isoneral 67619 997077-77-6 83
3 Cyclohexane, ethenyl- 13938 000695-12-5 41
D:\MassHunter\Library\FFNSC2.L 16.60 16.80 17.00 17.20
1 Thujone <alpha-> $$ Bicyclo[3.1.... 1020 000546-80-5 38
2 Cyclohexene <3,3,5-trimethyl-> $... 2350 000503-45-7 35
3 Sesquicineole <dehydro-> $$ 2-Ox... 1119 211237-38-6 25

default.m Tue Mar 02 09:49:14 2021 Page: 25

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 2908 (16.935 min): LP1 01-03-2021.D\DATA.MS m/z 137.10 100.00%
9999
93 137
84 108
77 119
55
2844
m/z--> 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320
Abundance #12684: 1-Methyltricyclo[2.2.1.0(2,6)]heptane
9999 16.60 16.80 17.00 17.20
93 108
79 m/z 93.00 73.42%
27 39 53 66
310
m/z--> 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320
Abundance #12643: 1,1-Dimethyl-3-methylene-1,4-pentadiene
9999
93 108
79
16.60 16.80 17.00 17.20
1 m/z 108.00 67.47%
m/z--> 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320
Abundance #594681: 2H-Cyclopenta[b]furan, hexahydro-6-(phenyltelluro)-, (3a.alpha.,6.alpha.,6a.alpha.)-
9999
51 84 93
67
77 111 160
207 318
300
m/z--> 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 16.60 16.80 17.00 17.20
m/z 84.20 60.78%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 25 at 16.935 min Area: 43922 Area % 0.07

The 3 best hits from each library. Ref\# CAS\# Qual 16.60 16.80 17.00 17.20
--------------------------------------------------------------------- m/z 83.80 51.67%
D:\MassHunter\Library\W11N17main.L
1 1-Methyltricyclo[2.2.1.0(2,6)]he... 12684 004601-85-8 27
2 1,1-Dimethyl-3-methylene-1,4-pen... 12643 997016-03-5 27
3 2H-Cyclopenta[b]furan, hexahydro... 594681 122823-52-3 25
D:\MassHunter\Library\FFNSC2.L 16.60 16.80 17.00 17.20
1 Nojigiku acetate $$ Bicyclo[2.2.... 2380 055627-02-6 9
2 Cyclopentanol <2-(2-hexenyl)-> $... 1393 034686-67-4 4
3 Piperitol <cis-> $$ 2-Cyclohexen... 2845 034350-53-3 4

default.m Tue Mar 02 09:49:14 2021 Page: 26

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 2968 (17.220 min): LP1 01-03-2021.D\DATA.MS m/z 67.00 100.00%
9999
67 81
41 110
54 98
5387
m/z--> 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240
Abundance #314241: cis,cis-7,10,-Hexadecadienal
9999 17.00 17.20 17.40 17.60
41 55 67 81
98 m/z 81.00 87.32%
93 109 123 137 151 165 179 193 236
230
m/z--> 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240
Abundance #43737: Cyclooctane, ethenyl-
9999
41 55 67 81 109
95
27 17.00 17.20 17.40 17.60
50 123 138
1 m/z 41.10 66.90%
m/z--> 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240
Abundance #43735: Cyclooctane, ethenyl-
9999
41 55 67 81
109
95
27
50 123 138
120
m/z--> 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 17.00 17.20 17.40 17.60
m/z 110.20 63.38%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 26 at 17.220 min Area: 17116 Area % 0.03

The 3 best hits from each library. Ref\# CAS\# Qual 17.00 17.20 17.40 17.60
--------------------------------------------------------------------- m/z 53.90 60.56%
D:\MassHunter\Library\W11N17main.L
1 cis,cis-7,10,-Hexadecadienal 314241 056829-23-3 78
2 Cyclooctane, ethenyl- 43737 013151-62-7 72
3 Cyclooctane, ethenyl- 43735 061142-41-4 72
D:\MassHunter\Library\FFNSC2.L 17.00 17.20 17.40 17.60
1 Salvene <Z-> $$ cis-2-methyl-3-m... 1950 033746-70-2 42
2 Dec-(4Z)-en-1-ol $$ 4-Decen-1-ol... 1342 057074-37-0 4
3 Tetradec-(9Z)-enal $$ 9-Tetradec... 1582 053939-27-8 4

default.m Tue Mar 02 09:49:15 2021 Page: 27

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 2986 (17.306 min): LP1 01-03-2021.D\DATA.MS m/z 81.00 100.00%
9999
43 81
55 124
69
97 153
3893
m/z--> 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210
Abundance #25511: 1-(1-cyclohex-2-enyl)ethanone
9999 17.00 17.20 17.40 17.60
43 81 124
53 86 m/z 43.00 89.78%
109
1
m/z--> 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210
Abundance #25102: Bicyclo[5.1.0]octan-2-one, (1R)-
9999
69 80
85 91 97 124
111 17.00 17.20 17.40 17.60
101 115
1 m/z 41.00 68.37%
m/z--> 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210
Abundance #266009: 1-Cyclopropyl-2,7-dodecadien-1-ol
9999
43 55 69 79
83 91 95 107 123 136
204
4
m/z--> 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 17.00 17.20 17.40 17.60
m/z 124.00 67.64%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 27 at 17.306 min Area: 87090 Area % 0.14

The 3 best hits from each library. Ref\# CAS\# Qual 17.00 17.20 17.40 17.60
--------------------------------------------------------------------- m/z 55.10 65.69%
D:\MassHunter\Library\W11N17main.L
1 1-(1-cyclohex-2-enyl)ethanone 25511 029372-98-3 38
2 Bicyclo[5.1.0]octan-2-one, (1R)- 25102 110717-01-6 35
3 1-Cyclopropyl-2,7-dodecadien-1-ol 266009 997284-47-6 32
D:\MassHunter\Library\FFNSC2.L 17.00 17.20 17.40 17.60
1 Octadecanol <n-> $$ 1-Octadecanol 2163 000112-92-5 9
2 Octanol <n-> $$ 1-Octanol 637 000111-87-5 9
3 Octadec-1-ene $$ 1-Octadecene 1845 000112-88-9 7

default.m Tue Mar 02 09:49:15 2021 Page: 28

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 2997 (17.359 min): LP1 01-03-2021.D\DATA.MS m/z 121.00 100.00%
9999
59 93 121
136
79
67
4302
m/z--> 5 10 15 20 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
Abundance #128008: 3-methyloctahydrocyclobuta[c]inden-2(1H)-one
9999 17.00 17.20 17.40 17.60
79 93 121 136
67 107
m/z 92.90 85.37%
150 163 178
1
m/z--> 5 10 15 20 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
Abundance #72807: Cyclohexanol, 2-ethylidene-1,3-dimethyl-, (1.alpha.,2E,3.beta.)-
9999
79 93 107 121 136

140 154 17.00 17.20 17.40 17.60

1 m/z 59.00 82.04%
m/z--> 5 10 15 20 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
Abundance #72406: 5-Caranol, trans,trans-(+)-
9999
43 55 79 93 111 121 136
59 69 107
27 39 83 97
15 31 51 65 154
103 115 125 140
1
m/z--> 5 10 15 20 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 17.00 17.20 17.40 17.60
m/z 136.20 73.84%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 28 at 17.359 min Area: 38921 Area % 0.06

The 3 best hits from each library. Ref\# CAS\# Qual 17.00 17.20 17.40 17.60
--------------------------------------------------------------------- m/z 79.20 54.77%
D:\MassHunter\Library\W11N17main.L
1 3-methyloctahydrocyclobuta[c]ind... 128008 997141-76-6 83
2 Cyclohexanol, 2-ethylidene-1,3-d... 72807 075731-82-7 74
3 5-Caranol, trans,trans-(+)- 72406 006909-21-3 72
D:\MassHunter\Library\FFNSC2.L 17.00 17.20 17.40 17.60
1 Isopulegyl acetate $$ Cyclohexan... 643 000089-49-6 38
2 Carene <delta-2-> $$ Bicyclo[4.1... 1470 000554-61-0 9
3 Pyrazine <2-acetyl-, 3-methyl-> ... 8 023787-80-6 9

default.m Tue Mar 02 09:49:15 2021 Page: 29

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 3027 (17.501 min): LP1 01-03-2021.D\DATA.MS m/z 84.10 100.00%
9999
84

4229
m/z--> 6 8 10 12 14 16 18 20 22 24 26 28 30 32 34 36 38 40 42 44 46 48 50 52 54 56 58 60 62 64 66 68 70 72 74 76 78 80 82 84 86 88 90 92 94 96
Abundance #3441: 2-Butenal, 3-methyl-
9999 17.20 17.40 17.60 17.80
41 55 84
39 m/z 82.90 42.29%
27 29
37 43 49 51 53 57 59 61 65 67 69 71 86
1
m/z--> 6 8 10 12 14 16 18 20 22 24 26 28 30 32 34 36 38 40 42 44 46 48 50 52 54 56 58 60 62 64 66 68 70 72 74 76 78 80 82 84 86 88 90 92 94 96
Abundance #3359: Furan, 2,3-dihydro-4-methyl-
9999
55 84
27 39 41
53 17.20 17.40 17.60 17.80
29 32 44 51 57 69
70
m/z--> 6 8 10 12 14 16 18 20 22 24 26 28 30 32 34 36 38 40 42 44 46 48 50 52 54 56 58 60 62 64 66 68 70 72 74 76 78 80 82 84 86 88 90 92 94 96
Abundance #3356: Furan, 2,3-dihydro-4-methyl-
9999
55 84
27 29 39 41
53 69
15 18 31 37 43 45 51 57 65 82
100
m/z--> 6 8 10 12 14 16 18 20 22 24 26 28 30 32 34 36 38 40 42 44 46 48 50 52 54 56 58 60 62 64 66 68 70 72 74 76 78 80 82 84 86 88 90 92 94 96

Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D

Sample : Sample 1
Peak Number: 29 at 17.501 min Area: 25373 Area % 0.04

The 3 best hits from each library. Ref\# CAS\# Qual

---------------------------------------------------------------------
D:\MassHunter\Library\W11N17main.L
1 2-Butenal, 3-methyl- 3441 000107-86-8 5
2 Furan, 2,3-dihydro-4-methyl- 3359 034314-83-5 5
3 Furan, 2,3-dihydro-4-methyl- 3356 034314-83-5 5
D:\MassHunter\Library\FFNSC2.L
1 Crotonaldehyde <3-methyl-> $$ 2-... 1630 000107-86-8 5
2 Tiglic aldehyde $$ 2-Butenal, 2-... 561 000497-03-0 2
3 Benzene <hexahydro-> $$ Cyclohexane 1488 000110-82-7 2

default.m Tue Mar 02 09:49:15 2021 Page: 30

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 3059 (17.654 min): LP1 01-03-2021.D\DATA.MS m/z 57.20 100.00%
9999 41 57
70 82 112
67 96
54
2714
m/z--> 20 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
Abundance #76749: Decanal
9999 17.40 17.60 17.80 18.00
41 57
70 82 m/z 41.10 82.06%
45 95 112
37 53 66 77 86 91 99 123 128 138
1
m/z--> 20 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
Abundance #890: Decanal <n-> $$ Decanal
9999
43 57
70 82
95 112 17.40 17.60 17.80 18.00
53 66 77 86 99 123 128 138
40 m/z 82.10 70.00%
m/z--> 20 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
Abundance #76745: Decanal
9999
43 57 70 82
29 95 112
39 53 128
61 66 77 86 91 99 108 123 138 155
10
m/z--> 20 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 17.40 17.60 17.80 18.00
m/z 112.10 63.81%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 30 at 17.654 min Area: 138266 Area % 0.23

The 3 best hits from each library. Ref\# CAS\# Qual 17.40 17.60 17.80 18.00
--------------------------------------------------------------------- m/z 70.20 62.38%
D:\MassHunter\Library\W11N17main.L
1 Decanal 76749 000112-31-2 91
2 Decanal 76746 000112-31-2 72
3 Decanal 76745 000112-31-2 72
D:\MassHunter\Library\FFNSC2.L 17.40 17.60 17.80 18.00
1 Decanal <n-> $$ Decanal 890 000112-31-2 90
2 Tridecanal <n-> $$ Tridecanal 1032 010486-19-8 43
3 Dodec-2-en-1-ol <trans-> $$ 2-Do... 1370 069064-37-5 43

default.m Tue Mar 02 09:49:16 2021 Page: 31

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 3133 (18.006 min): LP1 01-03-2021.D\DATA.MS m/z 84.10 100.00%
9999
84

55 69 77 91 109 121
1195
m/z--> 20 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
Abundance #67625: cis/trans-Isopiperitenol
9999 17.60 17.80 18.00 18.20 18.40
84
m/z 83.10 51.20%
41 56 69 91 109 121 134 152
4
m/z--> 20 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
Abundance #67624: (-)-cis-Isopiperitenol
9999
84

41 69 17.60 17.80 18.00 18.20 18.40

27 31 38 44 50 53 56 59 62 65 74 77 81 91 94 97 102105 109 115118121124 128 134137 152
10 m/z 77.20 19.35%
m/z--> 20 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
Abundance #67628: (-)-trans-Isopiperitenol
9999
84
41 56 69
26 29 38 44 50 53 59 62 65 74 77 81 91 95 102105108 115 119 124 128 134137 152
10
m/z--> 20 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 17.60 17.80 18.00 18.20 18.40
m/z 55.20 16.19%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 31 at 18.006 min Area: 72502 Area % 0.12

The 3 best hits from each library. Ref\# CAS\# Qual 17.60 17.80 18.00 18.20 18.40
--------------------------------------------------------------------- m/z 121.20 16.11%
D:\MassHunter\Library\W11N17main.L
1 cis/trans-Isopiperitenol 67625 997077-78-2 64
2 (-)-cis-Isopiperitenol 67624 096555-02-1 64
3 (-)-trans-Isopiperitenol 67628 074410-00-7 59
D:\MassHunter\Library\FFNSC2.L 17.60 17.80 18.00 18.20 18.40
1 Piperitol <cis-> $$ 2-Cyclohexen... 2845 034350-53-3 40
2 Caryophyllane <4,8-alpha-epoxy->... 2613 178737-41-2 9
3 Crotonaldehyde <3-methyl-> $$ 2-... 1630 000107-86-8 7

default.m Tue Mar 02 09:49:16 2021 Page: 32

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 3168 (18.173 min): LP1 01-03-2021.D\DATA.MS m/z 69.10 100.00%
9999 69
41 93
121
2015
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210
Abundance #179162: (2Z)-3,7-Dimethyl-2,6-octadienyl acetate
9999 17.80 18.00 18.20 18.40
41 69
93 m/z 41.10 49.87%
27 53 58 63 80 121 136
36 85 98 107 112 127 154 196
3
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210
Abundance #71991: 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-
9999
41 69
93
27 32 53 59 64 17.80 18.00 18.20 18.40
18 74 79 84 98 105 111 121 136 154
10 m/z 93.20 41.81%
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210
Abundance #412302: Nerolidyl acetate
9999
43 69 93
55 80 107
29 121 136 147 153 161 189 195 204
19 113
110
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 17.80 18.00 18.20 18.40
m/z 68.10 25.69%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 32 at 18.173 min Area: 50264 Area % 0.08

The 3 best hits from each library. Ref\# CAS\# Qual 17.80 18.00 18.20 18.40
--------------------------------------------------------------------- m/z 67.00 22.80%
D:\MassHunter\Library\W11N17main.L
1 (2Z)-3,7-Dimethyl-2,6-octadienyl... 179162 000141-12-8 9
2 2,6-Octadien-1-ol, 3,7-dimethyl-... 71991 000106-25-2 9
3 Nerolidyl acetate 412302 002306-78-7 9
D:\MassHunter\Library\FFNSC2.L 17.80 18.00 18.20 18.40
1 Geranyl isobutyrate $$ Propanoic... 1401 002345-26-8 9
2 Neryl propionate $$ 2,6-Octadien... 1208 000105-91-9 9
3 Geranyl propanoate $$ 2,6-Octadi... 896 000105-90-8 9

default.m Tue Mar 02 09:49:16 2021 Page: 33

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 3269 (18.654 min): LP1 01-03-2021.D\DATA.MS m/z 69.10 100.00%
9999
41 69 109
84 94
53 79 119 137
59 65 89 105 115 123 152
45 74 133
31
m/z--> 5 10 15 20 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
Abundance #1002: Neral $$ 2,6-Octadienal, 3,7-dimethyl-, (2Z)-
9999 18.40 18.60 18.80 19.00
41 69
84 94 m/z 41.10 74.64%
53 59 79 109 119 123
65 105 137
40
m/z--> 5 10 15 20 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
Abundance #67979: Neral
9999
41 69
53 59 84 94 109 18.40 18.60 18.80 19.00
15 27 31 37 45 49 65 74 79 89 98 105 115 119 123 133 137 152
10 m/z 109.10 70.72%
m/z--> 5 10 15 20 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
Abundance #67995: 2,6-Octadienal, 3,7-dimethyl-, (Z)-
9999
41 69
53 59 84 94 109
37 45 65 74 79 89 105 115 119 123 134 138 152
1
m/z--> 5 10 15 20 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 18.40 18.60 18.80 19.00
m/z 94.10 49.27%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 33 at 18.654 min Area: 21004517 Area % 34.22

The 3 best hits from each library. Ref\# CAS\# Qual 18.40 18.60 18.80 19.00
--------------------------------------------------------------------- m/z 95.10 44.31%
D:\MassHunter\Library\W11N17main.L
1 2,6-Octadienal, 3,7-dimethyl-, (Z)- 67996 000106-26-3 62
2 Neral 67979 000106-26-3 58
3 2,6-Octadienal, 3,7-dimethyl-, (Z)- 67995 000106-26-3 55
D:\MassHunter\Library\FFNSC2.L 18.40 18.60 18.80 19.00
1 Neral $$ 2,6-Octadienal, 3,7-dim... 1002 000106-26-3 86
2 Verbenol <trans-> $$ Bicyclo[3.1... 1672 001820-09-3 27
3 Farnesal <(E,E)-> $$ 2,6,10-Dode... 911 000502-67-0 16

default.m Tue Mar 02 09:49:17 2021 Page: 34

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 3323 (18.911 min): LP1 01-03-2021.D\DATA.MS m/z 69.20 100.00%
9999
69
41
93 123
53 57 65 77 81 84 97 107 111 136 139 154
275
m/z--> 20 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
Abundance #169: Geraniol $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, (2E)-
9999 18.60 18.80 19.00 19.20
41 69
m/z 41.10 44.54%
53 57 65 77 80 84 93 97 107 111 123 136 154
40
m/z--> 20 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
Abundance #71985: 2,6-Octadien-1-ol, 3,7-dimethyl-
9999
69
41
26 29 37 45 50 53 57 65 77 80 84 93 97 107 111 119 123 136 140 154 18.60 18.80 19.00 19.20
10 m/z 68.10 24.54%
m/z--> 20 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
Abundance #71987: Geraniol
9999
69
41
26 29 45 51 55 59 65 73 77 80 84 89 93 97 103 107 111 120123 131 136 140 147 154
10
m/z--> 20 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 18.60 18.80 19.00 19.20
m/z 123.10 20.65%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 34 at 18.911 min Area: 660332 Area % 1.08

The 3 best hits from each library. Ref\# CAS\# Qual 18.60 18.80 19.00 19.20
--------------------------------------------------------------------- m/z 67.10 18.15%
D:\MassHunter\Library\W11N17main.L
1 Geraniol 71983 000106-24-1 91
2 2,6-Octadien-1-ol, 3,7-dimethyl- 71985 000624-15-7 87
3 Geraniol 71987 000106-24-1 72
D:\MassHunter\Library\FFNSC2.L 18.60 18.80 19.00 19.20
1 Geraniol $$ 2,6-Octadien-1-ol, 3... 169 000106-24-1 94
2 Lavandulol $$ 4-Hexen-1-ol, 5-me... 979 058461-27-1 45
3 Nerol $$ 2,6-Octadien-1-ol, 3,7-... 726 000106-25-2 42

default.m Tue Mar 02 09:49:17 2021 Page: 35

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 3353 (19.054 min): LP1 01-03-2021.D\DATA.MS m/z 82.10 100.00%
9999
82 110
95
137
6644
m/z--> 5 10 15 20 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
Abundance #13940: Cyclohexane, ethenyl-
9999 18.80 19.00 19.20 19.40
67 81
41 54 110 m/z 110.00 92.62%
95
15 27 38 45 51 57 63 70 74 77 84 91 107
10
m/z--> 5 10 15 20 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
Abundance #13901: 1,4-Octadiene
9999
41 54 67 81
27
38 51 77 95 110 18.80 19.00 19.20 19.40
15 44 63 70 74 91
110 m/z 95.00 77.18%
m/z--> 5 10 15 20 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
Abundance #13673: 7-Oxabicyclo[4.1.0]heptane, 2-methylene-
9999
27 39 53 67 81
95 110
42 45 50 56 59 63 77 91
24 31 35 70 74 86 104 107
10
m/z--> 5 10 15 20 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 18.80 19.00 19.20 19.40
m/z 136.90 66.44%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 35 at 19.054 min Area: 16991 Area % 0.03

The 3 best hits from each library. Ref\# CAS\# Qual 18.80 19.00 19.20 19.40
---------------------------------------------------------------------
D:\MassHunter\Library\W11N17main.L
1 Cyclohexane, ethenyl- 13940 000695-12-5 9
2 1,4-Octadiene 13901 005675-25-2 9
3 7-Oxabicyclo[4.1.0]heptane, 2-me... 13673 098126-49-9 9
D:\MassHunter\Library\FFNSC2.L
1 Pinene oxide <alpha-> $$ 3-Oxatr... 2061 001686-14-2 4
2 Linalool oxide <dehydro-, cis-> ... 1616 054750-69-5 2
3 Pyrazine <2-methoxy-> $$ Pyrazin... 554 003149-28-8 2

default.m Tue Mar 02 09:49:17 2021 Page: 36

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 3452 (19.525 min): LP1 01-03-2021.D\DATA.MS m/z 69.10 100.00%
9999
69
41
84 94 109 123 137
53 152
45 59 65 74 79 89 98 105 115 119 131
14
m/z--> 5 10 15 20 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
Abundance #67984: 2,6-Octadienal, 3,7-dimethyl-, (E)-
9999 19.20 19.40 19.60 19.80
41 69
84 m/z 41.10 52.70%
53 94
15 27 31 37 45 49 59 65 74 79 89 98 105 109 115 119 123 133 137 152
10
m/z--> 5 10 15 20 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
Abundance #1003: Geranial $$ 2,6-Octadienal, 3,7-dimethyl-, (2E)-
9999
41 69
84 94 19.20 19.40 19.60 19.80
53 59 65 79 105 109 119 123 137 152
20 m/z 84.10 30.50%
m/z--> 5 10 15 20 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
Abundance #67982: 2,6-Octadienal, 3,7-dimethyl-, (E)-
9999
41 69
27 53 84 94
31 37 45 59 65 74 79 89 98 105 109 115 119 123 133 137 152
10
m/z--> 5 10 15 20 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 19.20 19.40 19.60 19.80
m/z 94.10 25.65%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 36 at 19.525 min Area: 30148198 Area % 49.12

The 3 best hits from each library. Ref\# CAS\# Qual 19.20 19.40 19.60 19.80
--------------------------------------------------------------------- m/z 137.05 24.60%
D:\MassHunter\Library\W11N17main.L
1 2,6-Octadienal, 3,7-dimethyl-, (E)- 67984 000141-27-5 97
2 Citral 67988 005392-40-5 94
3 2,6-Octadienal, 3,7-dimethyl-, (E)- 67982 000141-27-5 94
D:\MassHunter\Library\FFNSC2.L 19.20 19.40 19.60 19.80
1 Geranial $$ 2,6-Octadienal, 3,7-... 1003 000141-27-5 95
2 Neral $$ 2,6-Octadienal, 3,7-dim... 1002 000106-26-3 42
3 Nona-(2E,6E)-dienal $$ 2,6-Nonad... 808 017587-33-6 37

default.m Tue Mar 02 09:49:17 2021 Page: 37

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 3668 (20.554 min): LP1 01-03-2021.D\DATA.MS m/z 150.00 100.00%
9999
135 150

107
4353
m/z--> 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
Abundance #62485: 3-Methyl-3-(3'-methyl-2'-butenyl)furan
9999 20.20 20.40 20.60 20.80
91 135 150
79 82 107 m/z 135.00 95.02%
95
138 153
2
m/z--> 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
Abundance #62684: Y-Methylbicyclo(4.3.0)non-6-en-8-one
9999
109 135 150
79
93 121
43 53 67 82 105 20.20 20.40 20.60 20.80
500 m/z 107.00 43.53%
m/z--> 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
Abundance #62884: 4-Methyl-2-(3-methyl-2-butenyl)-furan
9999
135 150
41 79 91 107
53 67 82 95
50 63 138 153
2
m/z--> 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 20.20 20.40 20.60 20.80

Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D

Sample : Sample 1
Peak Number: 37 at 20.554 min Area: 15759 Area % 0.03

The 3 best hits from each library. Ref\# CAS\# Qual

---------------------------------------------------------------------
D:\MassHunter\Library\W11N17main.L
1 3-Methyl-3-(3'-methyl-2'-butenyl... 62485 000000-00-0 74
2 Y-Methylbicyclo(4.3.0)non-6-en-8... 62684 997072-23-5 74
3 4-Methyl-2-(3-methyl-2-butenyl)-... 62884 997072-45-0 74
D:\MassHunter\Library\FFNSC2.L
1 Guaiacol <4-vinyl-> $$ Phenol, 4... 900 007786-61-0 74
2 Pyrazine <2,3-diethyl-, 5-methyl... 299 018138-04-0 5
3 Ocimenone <trans-> $$ 2,5,7-Octa... 1587 033746-72-4 5

default.m Tue Mar 02 09:49:18 2021 Page: 38

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 3905 (21.682 min): LP1 01-03-2021.D\DATA.MS m/z 164.00 100.00%
9999
164
103 149
77 91 121 131 137
51 107
808
m/z--> 20 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
Abundance #92008: Phenol, 2-methoxy-4-(2-propenyl)-
9999 21.40 21.60 21.80 22.00
164
77 103 149 m/z 149.00 45.54%
27 31 39
44 51 55 65 91
95 107 121 131 137
81 115
1
m/z--> 20 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
Abundance #92007: Eugenol
9999
164
77 103 149
27 31 39 43 51 55 65 81
91
107 121 131 137 21.40 21.60 21.80 22.00
115
210 m/z 103.00 35.93%
m/z--> 20 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
Abundance #91844: 3-Allyl-6-methoxyphenol
9999
164
77 103 131 137 149
39 43 51 55 65 69 73 91 121
27 31 60 81 86 95 99 107 111 115 125 145 153 159
10
m/z--> 20 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 21.40 21.60 21.80 22.00
m/z 77.10 28.95%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 38 at 21.682 min Area: 205174 Area % 0.33

The 3 best hits from each library. Ref\# CAS\# Qual 21.40 21.60 21.80 22.00
--------------------------------------------------------------------- m/z 131.20 27.64%
D:\MassHunter\Library\W11N17main.L
1 Phenol, 2-methoxy-4-(2-propenyl)- 92008 000097-53-0 90
2 Eugenol 92007 000097-53-0 90
3 3-Allyl-6-methoxyphenol 91844 000501-19-9 90
D:\MassHunter\Library\FFNSC2.L 21.40 21.60 21.80 22.00
1 Eugenol $$ Phenol, 2-methoxy-4-(... 160 000097-53-0 80
2 Isoeugenol $$ Phenol, 2-methoxy-... 878 000097-54-1 72
3 Eugenyl acetate $$ Phenol, 2-met... 103 000093-28-7 64

default.m Tue Mar 02 09:49:18 2021 Page: 39

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 4019 (22.225 min): LP1 01-03-2021.D\DATA.MS m/z 105.00 100.00%
10099

105
10000
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115
Abundance #11279: 1-Deuterioethenylbenzene
9999 22.00 22.20 22.40 22.60
105
51 77
12 15 24 27 31 36 39 42 45 48 54 60 63 66 74 85 90 93 98 102
10
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115
Abundance #11400: Pyridine, 4-ethenyl-
9999
105
51 78
27 39 44 54 62 65 75 91 102
10
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115
Abundance #11406: Pyridine, 2-ethenyl-
9999
105
79
36 39 42 45 52 63 71 76 89 102 108
1
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115

Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D

Sample : Sample 1
Peak Number: 39 at 22.225 min Area: 2524 Area % 0.00

The 3 best hits from each library. Ref\# CAS\# Qual

---------------------------------------------------------------------
D:\MassHunter\Library\W11N17main.L
1 1-Deuterioethenylbenzene 11279 001193-80-2 1
2 Pyridine, 4-ethenyl- 11400 000100-43-6 1
3 Pyridine, 2-ethenyl- 11406 000100-69-6 1
D:\MassHunter\Library\FFNSC2.L
1 Benzoate <(3Z)-hexenyl-> $$ 3-He... 435 025152-85-6 1
2 Pregeijerene B $$ 1,4,7-Cyclodec... 2946 556799-96-3 1
3 Pentanol <phenyl-> $$ Benzenepen... 775 010521-91-2 1

default.m Tue Mar 02 09:49:18 2021 Page: 40

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 4048 (22.363 min): LP1 01-03-2021.D\DATA.MS m/z 69.10 100.00%
9999
69
41 93 121 136
53 65 77 80 85 107 127
275
m/z--> 20 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
Abundance #707: Neryl butyrate $$ Butanoic acid, (2Z)-3,7-dimethyl-2,6-octadienyl ester
9999 22.00 22.20 22.40 22.60
41 69 93
80 m/z 68.10 41.56%
53 56 107 111 121 136
44 60 65 72 77 84 97 154
40
m/z--> 20 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
Abundance #179148: 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-
9999
41 69
93
27 31 38 45 50 53 57 60 65 72 77 80 85 89 97 101 107 111 117 121124127 136139 154 22.00 22.20 22.40 22.60
11 m/z 93.20 41.37%
m/z--> 20 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
Abundance #179199: 2-Isopropenyl-5-methyl-4-hexenyl acetate
9999
69 93
53 77 80 85 107 121 136
57 65 73 127
59
m/z--> 20 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 22.00 22.20 22.40 22.60
m/z 41.10 36.33%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 40 at 22.363 min Area: 649720 Area % 1.06

The 3 best hits from each library. Ref\# CAS\# Qual 22.00 22.20 22.40 22.60
--------------------------------------------------------------------- m/z 121.10 35.88%
D:\MassHunter\Library\W11N17main.L
1 2,6-Octadien-1-ol, 3,7-dimethyl-... 179153 016409-44-2 90
2 2,6-Octadien-1-ol, 3,7-dimethyl-... 179148 000105-87-3 90
3 2-Isopropenyl-5-methyl-4-hexenyl... 179199 025905-14-0 90
D:\MassHunter\Library\FFNSC2.L 22.00 22.20 22.40 22.60
1 Neryl butyrate $$ Butanoic acid,... 707 000999-40-6 91
2 Geranyl acetate $$ 2,6-Octadien-... 170 000105-87-3 90
3 Geranyl isobutyrate $$ Propanoic... 1401 002345-26-8 78

default.m Tue Mar 02 09:49:19 2021 Page: 41

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 4224 (23.202 min): LP1 01-03-2021.D\DATA.MS m/z 82.10 100.00%
9999
82

55
7391
m/z--> 4 6 8 10 12 14 16 18 20 22 24 26 28 30 32 34 36 38 40 42 44 46 48 50 52 54 56 58 60 62 64 66 68 70 72 74 76 78 80 82 84 86 88 90 92
Abundance #2795: 1H-Pyrazole, 3-methyl-
9999 22.80 23.00 23.20 23.40 23.60
82
54 m/z 81.10 88.89%
42 49 51
36 38 40 44 56 59 64 67 76 80 84
1
m/z--> 4 6 8 10 12 14 16 18 20 22 24 26 28 30 32 34 36 38 40 42 44 46 48 50 52 54 56 58 60 62 64 66 68 70 72 74 76 78 80 82 84 86 88 90 92
Abundance #2798: 1H-Imidazole, 4-methyl-
9999
54 82
28
15 24 26 30 37 39 41 43 50 52 56 65 67 77 80 22.80 23.00 23.20 23.40 23.60
10 m/z 55.00 73.91%
m/z--> 4 6 8 10 12 14 16 18 20 22 24 26 28 30 32 34 36 38 40 42 44 46 48 50 52 54 56 58 60 62 64 66 68 70 72 74 76 78 80 82 84 86 88 90 92
Abundance #2796: 1H-Pyrazole, 3-methyl-
9999
28 82
54
24 26 30 36 38 40 42 46 49 51 56 59 66 68 71 78 80
16
m/z--> 4 6 8 10 12 14 16 18 20 22 24 26 28 30 32 34 36 38 40 42 44 46 48 50 52 54 56 58 60 62 64 66 68 70 72 74 76 78 80 82 84 86 88 90 92 22.80 23.00 23.20 23.40 23.60

Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D

Sample : Sample 1
Peak Number: 41 at 23.202 min Area: 6117 Area % 0.01

The 3 best hits from each library. Ref\# CAS\# Qual

---------------------------------------------------------------------
D:\MassHunter\Library\W11N17main.L
1 1H-Pyrazole, 3-methyl- 2795 001453-58-3 5
2 1H-Imidazole, 4-methyl- 2798 000822-36-6 5
3 1H-Pyrazole, 3-methyl- 2796 001453-58-3 5
D:\MassHunter\Library\FFNSC2.L
1 Pyrazole <3-methyl-> $$ 1H-Pyraz... 976 001453-58-3 4
2 Cyclohexaneethanol <2-> $$ Cyclo... 1277 004442-79-9 4
3 Tetradec-(9E)-en-1-yl acetate $$... 1573 023192-82-7 4

default.m Tue Mar 02 09:49:19 2021 Page: 42

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 4270 (23.421 min): LP1 01-03-2021.D\DATA.MS m/z 150.10 100.00%
9999
91 107 150
79 135
41 95
65 117
1255
m/z--> 10 15 20 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
Abundance #1587: Ocimenone <trans-> $$ 2,5,7-Octatrien-4-one, 2,6-dimethyl-, (5E)-
9999 23.20 23.40 23.60 23.80
91 107 135 150
41 55 67 79 83 m/z 107.10 83.73%
51 95
63 103 115 122
160
m/z--> 10 15 20 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
Abundance #63316: (E)-2,6-Dimethylocta-2,5,7-trien-4-one
9999
39 91 107 135 150
55 67 79 83
29 51 95 115 121 23.20 23.40 23.60 23.80
17 63 74 103
20 m/z 91.10 83.35%
m/z--> 10 15 20 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
Abundance #62688: 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethylidene)-
9999
107 150
39 91 135
79
32 43 47 53 59 63 67 74 83 87 95 99 103 111 115 121 127 131 139 145 166
1
m/z--> 10 15 20 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 23.20 23.40 23.60 23.80
m/z 79.00 58.17%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 42 at 23.421 min Area: 166262 Area % 0.27

The 3 best hits from each library. Ref\# CAS\# Qual 23.20 23.40 23.60 23.80
--------------------------------------------------------------------- m/z 135.05 57.78%
D:\MassHunter\Library\W11N17main.L
1 6,6-Dimethyl-2,4-cyclooctadien-1... 63377 091531-51-0 72
2 (E)-2,6-Dimethylocta-2,5,7-trien... 63316 033746-72-4 68
3 2-Cyclohexen-1-one, 3-methyl-6-(... 62688 000491-09-8 64
D:\MassHunter\Library\FFNSC2.L 23.20 23.40 23.60 23.80
1 Ocimenone <trans-> $$ 2,5,7-Octa... 1587 033746-72-4 81
2 Car-3-en-2-one $$ Bicyclo[4.1.0]... 2440 053585-45-8 64
3 Terpinen-7-al <alpha-> $$ 1,3-Cy... 1047 001197-15-5 53

default.m Tue Mar 02 09:49:19 2021 Page: 43

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 4297 (23.549 min): LP1 01-03-2021.D\DATA.MS m/z 93.10 100.00%
9999
93 133
69 79 105 120
41 148 161 189
53 109 115 175 204
969
m/z--> 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215
Abundance #204354: Caryophyllene
9999 23.20 23.40 23.60 23.80
41 69 79 93 133
55 105 120 m/z 91.10 77.98%
148 161
27 189 204
34 50 63 74 84 98 111 128 138 143 155 169 175 180 195
10
m/z--> 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215
Abundance #204356: Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-,[1R-(1R*,4Z,9S*)]-
9999
69 79 93 105 133
41 119 161
55 147 189 23.20 23.40 23.60 23.80
29 50 63 74 84 110 124 138 153 166 175 204
10 m/z 133.05 75.32%
m/z--> 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215
Abundance #204369: (3Z)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-3-ene
9999
41 79 93 105 119 133
27 55 67 161
148 189
50 62 74 84 110 128 141 175 204
1
m/z--> 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 23.20 23.40 23.60 23.80
m/z 105.00 55.89%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 43 at 23.549 min Area: 415510 Area % 0.68

The 3 best hits from each library. Ref\# CAS\# Qual 23.20 23.40 23.60 23.80
--------------------------------------------------------------------- m/z 79.10 53.98%
D:\MassHunter\Library\W11N17main.L
1 Caryophyllene 204354 000087-44-5 93
2 Bicyclo[7.2.0]undec-4-ene, 4,11,... 204356 000118-65-0 87
3 (3Z)-4,11,11-trimethyl-8-methyle... 204369 997221-04-2 83
D:\MassHunter\Library\FFNSC2.L 23.20 23.40 23.60 23.80
1 Prezizaene $$ 1H-3a,6-Methanoazu... 1931 116498-31-8 50
2 Spirolepechinene $$ Spiro[4.5]de... 2783 246243-00-5 46
3 Valencene $$ Naphthalene, 1,2,3,... 828 004630-07-3 38

default.m Tue Mar 02 09:49:19 2021 Page: 44

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 4425 (24.159 min): LP1 01-03-2021.D\DATA.MS m/z 164.00 100.00%
9999
164
91 103 121 131 149
51 55 65 77 107
407
m/z--> 5 10 15 20 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
Abundance #91425: trans-Isoeugenol
9999 23.80 24.00 24.20 24.40
164
77 149 m/z 149.05 31.34%
51 55 91 103 131 137
15 27 31 39 43 61 65 71 82 86 95 99 107 111 115 121 145
10
m/z--> 5 10 15 20 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
Abundance #92009: Phenol, 2-methoxy-4-(2-propenyl)-
9999
164
131 137 149
27 31 39 43 51 55 59 65 69 73 77 81 86 91 95 103 107 115 121 23.80 24.00 24.20 24.40
14 18 145 153
1 m/z 91.10 20.21%
m/z--> 5 10 15 20 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
Abundance #91431: Phenol, 2-methoxy-4-(1-propenyl)-
9999
164
55 77 149
39 43 51 91 103 131 137
65 81 107 115 121
2
m/z--> 5 10 15 20 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 23.80 24.00 24.20 24.40
m/z 120.90 19.85%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 44 at 24.159 min Area: 255336 Area % 0.42

The 3 best hits from each library. Ref\# CAS\# Qual 23.80 24.00 24.20 24.40
--------------------------------------------------------------------- m/z 131.00 18.91%
D:\MassHunter\Library\W11N17main.L
1 trans-Isoeugenol 91425 005932-68-3 91
2 Phenol, 2-methoxy-4-(2-propenyl)- 92009 000097-53-0 91
3 Phenol, 2-methoxy-4-(1-propenyl)- 91431 000097-54-1 91
D:\MassHunter\Library\FFNSC2.L 23.80 24.00 24.20 24.40
1 Isoeugenol <Z-> $$ Phenol, 2-met... 2943 005912-86-7 91
2 Isoeugenol $$ Phenol, 2-methoxy-... 878 000097-54-1 91
3 Eugenol $$ Phenol, 2-methoxy-4-(... 160 000097-53-0 90

default.m Tue Mar 02 09:49:20 2021 Page: 45

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 4489 (24.463 min): LP1 01-03-2021.D\DATA.MS m/z 93.00 100.00%
9999
93
121
147
3293
m/z--> 20 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
Abundance #57378: Acrylanilide
9999 24.20 24.40 24.60 24.80
55 93
147 m/z 121.00 43.26%
27 39 42 45 51 62 65 74 77 90 103 106 116 119 128
10
m/z--> 20 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
Abundance #57270: Indole-4,7-dione
9999
93
147
119 24.20 24.40 24.60 24.80
122 150
1 m/z 147.05 32.93%
m/z--> 20 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
Abundance #57381: 2-Propenamide, N-phenyl-
9999
55 93
27 147
39 65 150
1
m/z--> 20 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 24.20 24.40 24.60 24.80

Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D

Sample : Sample 1
Peak Number: 45 at 24.463 min Area: 16063 Area % 0.03

The 3 best hits from each library. Ref\# CAS\# Qual

---------------------------------------------------------------------
D:\MassHunter\Library\W11N17main.L
1 Acrylanilide 57378 002210-24-4 5
2 Indole-4,7-dione 57270 997066-27-3 5
3 2-Propenamide, N-phenyl- 57381 002210-24-4 4
D:\MassHunter\Library\FFNSC2.L
1 Picoline <beta-> $$ Pyridine, 3-... 973 000108-99-6 2
2 Furfuryl pyrrole <N-> $$ 1H-Pyrr... 110 001438-94-4 2
3 Elemene <beta-> $$ Cyclohexane, ... 965 033880-83-0 2

default.m Tue Mar 02 09:49:20 2021 Page: 46

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 4694 (25.440 min): LP1 01-03-2021.D\DATA.MS m/z 207.10 100.00%
9999
161 207

105
7833
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215
Abundance #212965: (1E,2Z)-3-(4-hydroxy-3-methoxyphenyl)acrylaldehyde O-methyl oxime
9999 25.20 25.40 25.60 25.80
133 161 176 206
77 89 116 m/z 161.10 93.00%
51 63 105
41 68 94 122 144 149 192
100
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215
Abundance #211966: 3-Nitro-5-(trifluoromethyl)phenol
9999
161 207
113
63 83
30
14 19 38 43 50 57 69 75 88 101 107 121 133 143 149 177 188 25.20 25.40 25.60 25.80
10 m/z 105.10 78.33%
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215
Abundance #211976: .alpha.,.alpha.,.alpha.-Trifluoro-4-nitro-m-cresol
9999
161 177 207
63 113
30 39 57 75 83 101
14 121 129 143 149 155 188 193
2
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 25.20 25.40 25.60 25.80

Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D

Sample : Sample 1
Peak Number: 46 at 25.440 min Area: 13593 Area % 0.02

The 3 best hits from each library. Ref\# CAS\# Qual

---------------------------------------------------------------------
D:\MassHunter\Library\W11N17main.L
1 (1E,2Z)-3-(4-hydroxy-3-methoxyph... 212965 997230-03-4 5
2 3-Nitro-5-(trifluoromethyl)phenol 211966 000349-57-5 5
3 .alpha.,.alpha.,.alpha.-Trifluor... 211976 000088-30-2 5
D:\MassHunter\Library\FFNSC2.L
1 Cubebol $$ 1H-Cyclopenta[1,3]cyc... 1592 023445-02-5 2
2 Muurol-5-en-4-alpha-ol <cis-> $$... 2280 157374-45-3 2
3 Muurol-5-en-4-beta-ol <cis-> $$ ... 2282 157374-46-4 2

default.m Tue Mar 02 09:49:20 2021 Page: 47

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 4720 (25.563 min): LP1 01-03-2021.D\DATA.MS m/z 205.10 100.00%
9999
205

177 220
41 57 81 91 105 115 121 128 133 145 161 189
104
m/z--> 10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230
Abundance #257901: Butylated Hydroxytoluene
9999 25.20 25.40 25.60 25.80
205
220
m/z 220.20 26.22%
57 145
15 29 41 51 62 67 73 81 86 91 97 105 115 121 126 131 137 150 155 161 172 177 189
10
m/z--> 10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230
Abundance #257906: Butylated Hydroxytoluene
9999
205
57 220
41 51 67 73 81 91 105 115 121 128 133 139 145 150 155 161 172 177 189 25.20 25.40 25.60 25.80
10 m/z 206.20 15.13%
m/z--> 10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230
Abundance #257343: Butylated hydroxy toluene
9999
205
57 220
41 52 67 74 81 91 105 115 121 128 133 145 161 177 189
2
m/z--> 10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 25.20 25.40 25.60 25.80
m/z 177.10 13.02%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 47 at 25.563 min Area: 966905 Area % 1.58

The 3 best hits from each library. Ref\# CAS\# Qual 25.20 25.40 25.60 25.80
--------------------------------------------------------------------- m/z 145.00 9.47%
D:\MassHunter\Library\W11N17main.L
1 Butylated Hydroxytoluene 257901 000128-37-0 97
2 Butylated Hydroxytoluene 257906 000128-37-0 97
3 Butylated hydroxy toluene 257343 000000-00-0 96
D:\MassHunter\Library\FFNSC2.L 25.20 25.40 25.60 25.80
1 BHT $$ Phenol, 2,6-bis(1,1-dimet... 305 000128-37-0 96

default.m Tue Mar 02 09:49:21 2021 Page: 48

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 4785 (25.873 min): LP1 01-03-2021.D\DATA.MS m/z 161.10 100.00%
9999
161
91 105 119 133 204
41 55 65 77 128 147 189
277
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215
Abundance #204742: Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methylene-1-(1-methylethyl)-, (1.alpha.,4a.beta.,8a.alpha.)-
9999 25.60 25.80 26.00 26.20
161
105 119
79 91 133 204 m/z 91.00 30.70%
41
27 50 55 62 67 74 96 110 128 141 148 153 176 189
10
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215
Abundance #204039: (-)-Germacrene D
9999
41 91 105 119 161
27 79
18 55 67 133 204 25.60 25.80 26.00 26.20
128 147
1 m/z 119.10 29.57%
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215
Abundance #204033: Germacrene D
9999
41 91 105 119 161
27 79
55 67 133 204
15 128 147
240
m/z--> 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 25.60 25.80 26.00 26.20
m/z 105.10 29.01%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 48 at 25.873 min Area: 644630 Area % 1.05

The 3 best hits from each library. Ref\# CAS\# Qual 25.60 25.80 26.00 26.20
--------------------------------------------------------------------- m/z 133.05 27.36%
D:\MassHunter\Library\W11N17main.L
1 Naphthalene, 1,2,3,4,4a,5,6,8a-o... 204742 039029-41-9 95
2 (-)-Germacrene D 204039 023986-74-5 95
3 Germacrene D 204033 023986-74-5 95
D:\MassHunter\Library\FFNSC2.L 25.60 25.80 26.00 26.20
1 Cubebene <beta-> $$ 1H-Cyclopent... 1471 013744-15-5 95
2 Dauca-5,8-diene $$ Azulene, 1,2,... 2256 142928-08-3 94
3 Isoledene $$ 1H-Cycloprop[e]azul... 1729 095910-36-4 91

default.m Tue Mar 02 09:49:21 2021 Page: 49

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 4796 (25.925 min): LP1 01-03-2021.D\DATA.MS m/z 161.00 100.00%
9999 161
207
121
79 105
2639
m/z--> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225 230
Abundance #265691: (3S,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol
9999 25.60 25.80 26.00 26.20
105 119 161 207
43 81 91 m/z 207.10 62.15%
55 69 133
29 97 111 124 138 147 152 179 189 222
20
m/z--> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225 230
Abundance #1592: Cubebol $$ 1H-Cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol, octahydro-3,7-dimethyl-4-(1-methylethyl)-, (3S,3aR,3bR,4S,7R,7aR)-
9999
43 105 161 207
81 93 121
55 67 135 25.60 25.80 26.00 26.20
111 147 179 189
560 m/z 121.10 42.71%
m/z--> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225 230
Abundance #212248: Propane-1,3-diol 3-nitro-benzeneboronate
9999
161 207
77 103 133
91 115 121 149 177 191
340
m/z--> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225 230 25.60 25.80 26.00 26.20
m/z 79.00 31.25%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 49 at 25.925 min Area: 17211 Area % 0.03

The 3 best hits from each library. Ref\# CAS\# Qual 25.60 25.80 26.00 26.20
--------------------------------------------------------------------- m/z 104.90 29.17%
D:\MassHunter\Library\W11N17main.L
1 (3S,3aR,3bR,4S,7R,7aR)-4-Isoprop... 265691 023445-02-5 64
2 Propane-1,3-diol 4-nitro-benzene... 212250 085107-43-3 9
3 Propane-1,3-diol 3-nitro-benzene... 212248 085107-44-4 9
D:\MassHunter\Library\FFNSC2.L 25.60 25.80 26.00 26.20
1 Cubebol $$ 1H-Cyclopenta[1,3]cyc... 1592 023445-02-5 64
2 Muurol-5-en-4-beta-ol <cis-> $$ ... 2282 157374-46-4 4
3 Daucene $$ Azulene, 2,3,3a,4,7,8... 2305 016661-00-0 4

default.m Tue Mar 02 09:49:21 2021 Page: 50

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 4808 (25.983 min): LP1 01-03-2021.D\DATA.MS m/z 161.10 100.00%
9999 161
119
134 204
91 105
2066
m/z--> 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215
Abundance #204025: .delta.-Cadinene
9999 25.60 25.80 26.00 26.20 26.40
105 119 134 161
41 81 91 204 m/z 119.00 58.15%
55 77 189
36 51 65 69 73 87 95 109 115 128 141 147 155 165 176
1
m/z--> 30 35 40 45 50 55 60 65 70 75 80
85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215
Abundance #204024: 1-Isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene
9999
105 119 134 161
41 91 204
55 69 77 81
51 65 95 101 109 115 128 141 147 152 176 189 25.60 25.80 26.00 26.20 26.40
87
20 m/z 134.00 46.75%
m/z--> 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215
Abundance #1773: Amorphene <delta-> $$ Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1R,8aR)-
9999
105 119 161
81 91 134 204
41 55 77 189
51 67 95 109 115 129 147 176
280
m/z--> 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 25.60 25.80 26.00 26.20 26.40
m/z 204.10 45.17%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 50 at 25.983 min Area: 52394 Area % 0.09

The 3 best hits from each library. Ref\# CAS\# Qual 25.60 25.80 26.00 26.20 26.40
--------------------------------------------------------------------- m/z 162.00 26.36%
D:\MassHunter\Library\W11N17main.L
1 .delta.-Cadinene 204025 000483-76-1 90
2 1-Isopropyl-4,7-dimethyl-1,2,3,5... 204024 016729-01-4 90
3 .delta.-Cadinene 204026 000483-76-1 83
D:\MassHunter\Library\FFNSC2.L 25.60 25.80 26.00 26.20 26.40
1 Amorphene <delta-> $$ Naphthalen... 1773 317819-82-2 90
2 Cadinene <delta-> $$ Naphthalene... 838 016729-01-4 83
3 Cadina-1(6),4-diene $$ Naphthale... 1077 016729-00-3 78

default.m Tue Mar 02 09:49:22 2021 Page: 51

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 4848 (26.173 min): LP1 01-03-2021.D\DATA.MS m/z 92.90 100.00%
9999
93 107

135
5341
m/z--> 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215
Abundance #63683: Bicyclo[2.2.1]hept-2-ene, 1,2,7,7-tetramethyl-, (1S)-
9999 25.80 26.00 26.20 26.40
79 93 107
67 135 m/z 107.00 97.28%
43 121 150
50 55
1
m/z--> 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215
Abundance #93302: Bicyclo[2.2.2]oct-2-ene, 1,2,3,6-tetramethyl-
9999
93 107
41 135
27 55 67 77 83 121 164
36 50 61 72 88 98 115 129 149 25.80 26.00 26.20 26.40
10 m/z 135.30 53.41%
m/z--> 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215
Abundance #211055: (1S,4S,7R)-4,8,8-Trimethyl-2-methylenebicyclo[5.2.0]nonane-4-carbaldehyde (Birkenal)
9999
41 69 79 93 107 121
55 135
149 163 177 191 206
1
m/z--> 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 25.80 26.00 26.20 26.40

Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D

Sample : Sample 1
Peak Number: 51 at 26.173 min Area: 18632 Area % 0.03

The 3 best hits from each library. Ref\# CAS\# Qual

---------------------------------------------------------------------
D:\MassHunter\Library\W11N17main.L
1 Bicyclo[2.2.1]hept-2-ene, 1,2,7,... 63683 059581-90-7 9
2 Bicyclo[2.2.2]oct-2-ene, 1,2,3,6... 93302 062376-14-1 9
3 (1S,4S,7R)-4,8,8-Trimethyl-2-met... 211055 997228-07-1 9
D:\MassHunter\Library\FFNSC2.L
1 Patchoulene <alpha-> $$ 1H-3a,7-... 1083 000560-32-7 9
2 Aromandendrene epoxide <allo-> $... 2576 085760-81-2 4
3 Perillaldehyde $$ 1-Cyclohexene-... 779 002111-75-3 4

default.m Tue Mar 02 09:49:22 2021 Page: 52

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 4957 (26.692 min): LP1 01-03-2021.D\DATA.MS m/z 93.10 100.00%
9999
59 93 107
121 161
135 189
4529
m/z--> 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225 230
Abundance #265359: 2-Naphthalenemethanol, decahydro-.alpha.,.alpha.,4a-trimethyl-8-methylene-, [2R-(2.alpha.,4a.alpha.,8a.beta.)]-
9999 26.40 26.60 26.80 27.00
59
43 149 m/z 59.20 85.29%
53 67 79 93 108 122 164 189
72 84 103 117 128 135 175 204 222
30
m/z--> 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225 230
Abundance #204840: Azulene, 1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1S-(1.alpha.,7.alpha.,8a.beta.)]-
9999
41 79 93 107 119 161 189
55 67 133 147
175 204 26.40 26.60 26.80 27.00
50 62 102 128 141
110 m/z 107.00 82.35%
m/z--> 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225 230
Abundance #204799: (1E,5E)-(S)-8-Isopropenyl-1,5-dimethyl-cyclodeca-1,5-diene
9999
68 77 93 107 147
119 133 161 189
41 53
175 204
1
m/z--> 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225 230 26.40 26.60 26.80 27.00
m/z 161.10 64.41%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 52 at 26.692 min Area: 26241 Area % 0.04

The 3 best hits from each library. Ref\# CAS\# Qual 26.40 26.60 26.80 27.00
--------------------------------------------------------------------- m/z 120.90 61.18%
D:\MassHunter\Library\W11N17main.L
1 2-Naphthalenemethanol, decahydro... 265359 000473-15-4 42
2 Azulene, 1,2,3,5,6,7,8,8a-octahy... 204840 003691-11-0 40
3 (1E,5E)-(S)-8-Isopropenyl-1,5-di... 204799 997221-59-8 40
D:\MassHunter\Library\FFNSC2.L 26.40 26.60 26.80 27.00
1 Hinesol $$ Spiro[4.5]dec-6-ene-2... 1507 023811-08-7 25
2 Elemol <alpha-> $$ Cyclohexaneme... 1051 019078-36-5 23
3 Aromandendrene epoxide <allo-> $... 2576 085760-81-2 23

default.m Tue Mar 02 09:49:22 2021 Page: 53

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 4983 (26.816 min): LP1 01-03-2021.D\DATA.MS m/z 69.00 100.00%
9999
69

81 93
3283
m/z--> 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280
Abundance #272735: Butanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
9999 26.40 26.60 26.80 27.00 27.20
41 69 93
80 121 m/z 71.20 75.87%
53 60 136
47 86 99 107 113 129 142 154 166 181
5
m/z--> 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280
Abundance #76347: Propanoic acid, 2-methyl-, 3-methyl-2-butenyl ester
9999
43 69

53 59 75 83 89 97 115 126 141 156 26.40 26.60 26.80 27.00 27.20

30 m/z 93.10 50.00%
m/z--> 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280
Abundance #468010: 2,6,10-Dodecatriene, 12-acetoxy-6-hydroxymethyl-2,10-dimethyl-, (E,E)-
9999
43 69
55 81 93 109
29 61 103 119 126 134 145 152 159 165 177 187 193 202 209 220 262
75 87 238 280
10
m/z--> 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 26.40 26.60 26.80 27.00 27.20
m/z 68.20 43.04%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 53 at 26.816 min Area: 19834 Area % 0.03

The 3 best hits from each library. Ref\# CAS\# Qual 26.40 26.60 26.80 27.00 27.20
--------------------------------------------------------------------- m/z 81.00 42.61%
D:\MassHunter\Library\W11N17main.L
1 Butanoic acid, 3,7-dimethyl-2,6-... 272735 000106-29-6 64
2 Propanoic acid, 2-methyl-, 3-met... 76347 076649-23-5 39
3 2,6,10-Dodecatriene, 12-acetoxy-... 468010 997490-26-9 9
D:\MassHunter\Library\FFNSC2.L 26.40 26.60 26.80 27.00 27.20
1 Myrcenol $$ 7-Octen-2-ol, 2-meth... 1310 000543-39-5 9
2 Geranyl butyrate $$ Butanoic aci... 171 000106-29-6 4
3 Geranyl isobutyrate $$ Propanoic... 1401 002345-26-8 4

default.m Tue Mar 02 09:49:23 2021 Page: 54

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 5138 (27.554 min): LP1 01-03-2021.D\DATA.MS m/z 91.00 100.00%
9999
79 91
41 107 121
55 69 96
85 131 136 149 161 177 187
898
m/z--> 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225 230
Abundance #257927: 5-Oxatricyclo[8.2.0.04,6]dodecane, 4,12,12-trimethyl-9-methylene-, (1R,4R,6R,10S)-
9999 27.20 27.40 27.60 27.80
41 79 93
55 69 m/z 79.00 81.75%
109 121
31 50 63 85 98 103 115 127 135 140 149 161 177 187 192 205
1
m/z--> 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225 230
Abundance #257928: 5-Oxatricyclo[8.2.0.04,6]dodecane, 4,12,12-trimethyl-9-methylene-, (1R,4R,6R,10S)-
9999
41 79 93
55 69 109 121
50 63 74 85 98 103 115 127 135 140 149 161 166 177 187 192 205 220 27.20 27.40 27.60 27.80
1 m/z 93.10 69.78%
m/z--> 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225 230
Abundance #250462: (1R,6R,8R)-8-Isopropenyl-1,6-dimethyltricyclo[4.4.0.0(2,10)]decan-3-one
9999
93 107
121
133 147 161 203 219
1
m/z--> 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225 230 27.20 27.40 27.60 27.80
m/z 81.00 60.62%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 54 at 27.554 min Area: 560060 Area % 0.91

The 3 best hits from each library. Ref\# CAS\# Qual 27.20 27.40 27.60 27.80
--------------------------------------------------------------------- m/z 95.20 58.23%
D:\MassHunter\Library\W11N17main.L
1 5-Oxatricyclo[8.2.0.04,6]dodecan... 257927 001139-30-6 87
2 5-Oxatricyclo[8.2.0.04,6]dodecan... 257928 001139-30-6 74
3 (1R,6R,8R)-8-Isopropenyl-1,6-dim... 250462 997268-41-0 46
D:\MassHunter\Library\FFNSC2.L 27.20 27.40 27.60 27.80
1 Caryophyllene <14-hydroxy-4,5-di... 2819 289621-83-6 43
2 Camphene $$ Bicyclo[2.2.1]heptan... 952 000079-92-5 43
3 Isolimonene <trans-> $$ Cyclohex... 2355 005113-87-1 38

default.m Tue Mar 02 09:49:23 2021 Page: 55

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 5274 (28.202 min): LP1 01-03-2021.D\DATA.MS m/z 109.10 100.00%
9999
96 109

138
7610
m/z--> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225
Abundance #43621: Cyclopropane, 2-(1,2-dimethylpropylidene)-1,1-dimethyl-, (E)-
9999 27.80 28.00 28.20 28.40 28.60
55 67
81 123 m/z 96.10 92.20%
95 109 138
1
m/z--> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225
Abundance #98275: (1S*,4S*,5S*,8R*)-tricyclo[6.3.0.0(1,4)]undecan-5-ol
9999
41 67 79 90 96 109 119 138

27.80 28.00 28.20 28.40 28.60

3 m/z 138.00 76.10%
m/z--> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225
Abundance #258046: (1R,3E,7E,11R)-1,5,5,8-Tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
9999
43 67 96 109 138
55 81 123
91
29 38 50 62 72 86 103 115 131 147 152 162 179 187 192 205 220
10
m/z--> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225 27.80 28.00 28.20 28.40 28.60

Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D

Sample : Sample 1
Peak Number: 55 at 28.202 min Area: 9095 Area % 0.01

The 3 best hits from each library. Ref\# CAS\# Qual

---------------------------------------------------------------------
D:\MassHunter\Library\W11N17main.L
1 Cyclopropane, 2-(1,2-dimethylpro... 43621 085851-37-2 9
2 (1S*,4S*,5S*,8R*)-tricyclo[6.3.0... 98275 120052-68-8 9
3 (1R,3E,7E,11R)-1,5,5,8-Tetrameth... 258046 019888-34-7 9
D:\MassHunter\Library\FFNSC2.L
1 Humulene epoxide II $$ 12-Oxabic... 1643 019888-34-7 9
2 Anisyl alcohol <para-> $$ Benzen... 123 000105-13-5 5
3 Naphthalene <cis-decahydro-> $$ ... 2321 000493-01-6 5

default.m Tue Mar 02 09:49:23 2021 Page: 56

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 5490 (29.230 min): LP1 01-03-2021.D\DATA.MS m/z 149.30 100.00%
9999
59 149
109
189
204
133
6494
m/z--> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225 230
Abundance #265389: (1aR,3aS,7S,7aS,7bR)-1,1,3a,7-Tetramethyldecahydro-1H-cyclopropa[a]naphthalen-7-ol
9999 29.00 29.20 29.40 29.60
43 59 81
67 93 109 125 189
133 149 161 204 m/z 59.00 98.70%
29 53 119
38 72 86 98 103 138 166 175 180 222
10
m/z--> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225 230
Abundance #204576: (-)-Tricyclo[6.2.1.0(4,11)]undec-5-ene, 1,5,9,9-tetramethyl- (isocaryophyllene-I1)
9999
41 55 93 105 119 133 148 189
28 81 161 204
69
34 50 63 76 110 128 141 175 29.00 29.20 29.40 29.60
90 m/z 109.10 84.42%
m/z--> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225 230
Abundance #204577: (-)-Tricyclo[6.2.1.0(4,11)]undec-5-ene, 1,5,9,9-tetramethyl- (isocaryophyllene-I1)
9999
41 55 93 105 119 133 148 189
28 81 161 204
69
34 50 63 76 110 128 141 175
3
m/z--> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225 230 29.00 29.20 29.40 29.60
m/z 106.90 78.79%
Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D
Sample : Sample 1
Peak Number: 56 at 29.230 min Area: 19374 Area % 0.03

The 3 best hits from each library. Ref\# CAS\# Qual 29.00 29.20 29.40 29.60
--------------------------------------------------------------------- m/z 188.90 77.49%
D:\MassHunter\Library\W11N17main.L
1 (1aR,3aS,7S,7aS,7bR)-1,1,3a,7-Te... 265389 000527-90-2 78
2 (-)-Tricyclo[6.2.1.0(4,11)]undec... 204576 997221-32-1 50
3 (-)-Tricyclo[6.2.1.0(4,11)]undec... 204577 997221-32-2 50
D:\MassHunter\Library\FFNSC2.L 29.00 29.20 29.40 29.60
1 Maaliol $$ 1H-Cyclopropa[a]napht... 2407 000527-90-2 39
2 Intermedeol <neo-> $$ 1-Naphthal... 2942 005945-72-2 38
3 Silphiperfol-5-ene <7-epi-> $$ C... 2215 138752-23-5 35

default.m Tue Mar 02 09:49:24 2021 Page: 57

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 6316 (33.164 min): LP1 01-03-2021.D\DATA.MS m/z 57.80 100.00%
9999
43 58

71
7440
m/z--> 4 6 8 10 12 14 16 18 20 22 24 26 28 30 32 34 36 38 40 42 44 46 48 50 52 54 56 58 60 62 64 66 68 70 72 74 76 78 80 82 84 86 88 90 92 94 96
Abundance #606: Ethene, methoxy-
9999 32.80 33.00 33.20 33.40
43 58
m/z 43.10 97.10%
33 36 39 41 45 55 60
1
m/z--> 4 6 8 10 12 14 16 18 20 22 24 26 28 30 32 34 36 38 40 42 44 46 48 50 52 54 56 58 60 62 64 66 68 70 72 74 76 78 80 82 84 86 88 90 92 94 96
Abundance #605: Ethene, methoxy-
9999
43 58

27 29 31 32.80 33.00 33.20 33.40

45 60
1 m/z 71.10 74.40%
m/z--> 4 6 8 10 12 14 16 18 20 22 24 26 28 30 32 34 36 38 40 42 44 46 48 50 52 54 56 58 60 62 64 66 68 70 72 74 76 78 80 82 84 86 88 90 92 94 96
Abundance #558: acetamidine hydrochloride
9999
42 58
28
14 17 26 30 32 35 38 40 44 46 51 53 55 60 65 67 69 71 73 78 81 83 86 88
10
m/z--> 4 6 8 10 12 14 16 18 20 22 24 26 28 30 32 34 36 38 40 42 44 46 48 50 52 54 56 58 60 62 64 66 68 70 72 74 76 78 80 82 84 86 88 90 92 94 96 32.80 33.00 33.20 33.40

Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D

Sample : Sample 1
Peak Number: 57 at 33.164 min Area: 6940 Area % 0.01

The 3 best hits from each library. Ref\# CAS\# Qual

---------------------------------------------------------------------
D:\MassHunter\Library\W11N17main.L
1 Ethene, methoxy- 606 000107-25-5 4
2 Ethene, methoxy- 605 000107-25-5 4
3 acetamidine hydrochloride 558 997000-69-5 4
D:\MassHunter\Library\FFNSC2.L
1 Phytone $$ 2-Pentadecanone, 6,10... 1113 000502-69-2 2
2 Butanoic acid <1-methyl-, 2-oxop... 1140 084642-61-5 1
3 Hexanoate <3-oxo-, ethyl-> $$ He... 93 003249-68-1 1

default.m Tue Mar 02 09:49:24 2021 Page: 58

 Library Search Report - ChemStation Integrator
Unknown Spectrum based on Apex
Abundance Scan 7386 (38.259 min): LP1 01-03-2021.D\DATA.MS m/z 203.20 100.00%
10099

203
10000
m/z--> 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215
Abundance #199057: 3-benzyl-4,5-dimethyl-1,3-oxazol-2(3H)-one
9999 38.00 38.20 38.40 38.60
203
91
65 112
9
m/z--> 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215
Abundance #199829: 5-Hexen-1-amine, N,N-dimethyl-6-phenyl-, (E)-
9999
58 203

84
4000
m/z--> 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215
Abundance #198770: 7-(N-Oxy-N-methyliminomethyl)coumarin
9999
203
145
207
1
m/z--> 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215

Data File: D:\MassHunter\GCMS\DR. VINEET KUMAR\RISHIKA\2021\MARCH\LP1 01-03-2021.D

Sample : Sample 1
Peak Number: 58 at 38.259 min Area: 7891 Area % 0.01

The 3 best hits from each library. Ref\# CAS\# Qual

---------------------------------------------------------------------
D:\MassHunter\Library\W11N17main.L
1 3-benzyl-4,5-dimethyl-1,3-oxazol... 199057 997215-48-1 2
2 5-Hexen-1-amine, N,N-dimethyl-6-... 199829 061308-47-2 2
3 7-(N-Oxy-N-methyliminomethyl)cou... 198770 997215-17-9 2
D:\MassHunter\Library\FFNSC2.L
1 Nootkatone $$ 2(3H)-Naphthalenon... 978 091416-23-8 1
2 Aristolone $$ 2H-Cyclopropa[a]na... 2501 006831-17-0 1
3 Squamulosone $$ 3H-Cycloprop[e]a... 2846 034413-94-0 1

default.m Tue Mar 02 09:49:25 2021 Page: 59