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LABORATORIO DE ANÁLISIS INSTRUMENTAL

PROGRAMA DE QUÍMICA
UNIVERSIDAD DEL QUINDÍO

Sample Information
Analyzed by : Admin
Analyzed : 10/20/2021 2:46:31 PM
Sample Type : Unknown
Level # :1
Sample Name : G1
Sample ID : G1
IS Amount : [1]=1
Sample Amount :1
Dilution Factor :1
Vial # :1
Injection Volume : 1.00
Data File : C:\GCMSsolution\Data\QIDEA\Paula Charry\20-10-2021\G1.qgd
Org Data File : C:\GCMSsolution\Data\QIDEA\Paula Charry\20-10-2021\G1.qgd
Method File : C:\GCMSsolution\Data\QIDEA\Alcanos\Alk-3.qgm
Org Method File : C:\GCMSsolution\Data\QIDEA\Alcanos\Alk-3.qgm
Report File : C:\GCMSsolution\Data\REPORTES\Escencias.qgr
Tuning File : C:\GCMSsolution\System\Tune1\TUNING FILAMENTO2 julio 07 de 2021.qgt
Modified by : Admin
Modified : 10/21/2021 3:57:11 PM

Chromatogram G1 C:\GCMSsolution\Data\QIDEA\Paula Charry\20-10-2021\G1.qgd


TIC
110,000,000
1

5
3
2

10.0 20.0 30.0 32.0


min
Peak Report TIC
Peak# R.Time Name Base m/z Area Area% Height Height% A/H
1 21.589 Eugenol 1642277198116 83.87 104094192 62.38 21.88
2 22.453 Vanillin 151 3562980 0.13 1046335 0.63 3.41
3 22.808 Caryophyllene 41 13666449 0.50 4068358 2.44 3.36
4 25.381 Phenol, 2-methoxy-4-(2-propenyl)-,
164 acetate
403501169 14.86 53068029 31.80 7.60
5 26.854 Caryophyllene oxide 43 17258830 0.64 4607221 2.76 3.75
2715187544 100.00 166884135 100.00
Spectrum

Peak#:1 R.Time:21.589(Scan#:5729)
MassPeaks:113
RawMode:Averaged 21.583-21.597(5726-5730)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
110
164
100
90 149
77
80 103 131
70
55
60 91
121
50
40
30
65
20
41
10
200
40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
m/z

Peak#:2 R.Time:22.453(Scan#:5986)
MassPeaks:51
RawMode:Averaged 22.447-22.460(5985-5989)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
110
151
100
90
80
70
60
50
40 81
30 109 123
20 53
65
10 41 93 137
154
40 50 60 70 80 90 100 110 120 130 140 150
m/z
Peak#:3 R.Time:22.808(Scan#:6093)
MassPeaks:83
RawMode:Averaged 22.800-22.813(6091-6095)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
110
41
100
90 69 93
80 79 133
70
105
60
50
119
40
55
30 161
147
20
189
10 175
204

40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
m/z

Peak#:4 R.Time:25.381(Scan#:6866)
MassPeaks:109
RawMode:Averaged 25.373-25.387(6863-6867)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
110
164
100
90
80
70
60 149
50
40 43 131
30 77 91 104 121
20
65 206
10 41
175
40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
m/z
Peak#:5 R.Time:26.854(Scan#:7306)
MassPeaks:104
RawMode:Averaged 26.847-26.860(7305-7309)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
110
43
100
90 41 79
80
70
60 93
69
50
40 109
30 121
20
135 149 161
10 177 187
205
40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
m/z
Library
<< Target >>
Line#:1 R.Time:21.593(Scan#:5729) Retention Index:1380 MassPeaks:113
RawMode:Averaged 21.583-21.597(5726-5730) BasePeak:164.15(8283462)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 77 103 131 149 164
55 91 121
50 65
40 200

10 30 50 70 90 110 130 150 170 190


Hit#:1 Entry:18320 Library:NIST11s.lib
SI:85 Formula:C12H14O3 CAS:93-28-7 MolWeight:206 RetIndex:1552
CompName:Phenol, 2-methoxy-4-(2-propenyl)-, acetate $$ Phenol, 4-allyl-2-methoxy-, acetate $$ Ace
O

100 43 164 O
O
70 77
91
103 149
40 39
65
121
131

15 206

10 30 50 70 90 110 130 150 170 190


Hit#:2 Entry:11669 Library:NIST11s.lib
SI:83 Formula:C10H12O2 CAS:97-53-0 MolWeight:164 RetIndex:1392
CompName:Eugenol $$ Phenol, 2-methoxy-4-(2-propenyl)- $$ Phenol, 4-allyl-2-methoxy- $$ p-Allylg
OH
100 164
O

70
40 55
77 91
103
121
131 149
65
40

10 30 50 70 90 110 130 150 170 190


Hit#:3 Entry:11660 Library:NIST11s.lib
SI:82 Formula:C10H12O2 CAS:5932-68-3 MolWeight:164 RetIndex:1410
CompName:trans-Isoeugenol $$ Phenol, 2-methoxy-4-(1-propenyl)-, (E)- $$ Phenol, 2-methoxy-4-pro
O
100 164 HO
70
149
40 39
55 77 91 103 121 131
27 65

10 30 50 70 90 110 130 150 170 190


Hit#:4 Entry:11667 Library:NIST11s.lib
SI:81 Formula:C10H12O2 CAS:97-53-0 MolWeight:164 RetIndex:1392
CompName:Eugenol $$ Phenol, 2-methoxy-4-(2-propenyl)- $$ Phenol, 4-allyl-2-methoxy- $$ p-Allylg
OH
100 164
O

70
40 55
77 91 103
121
131
149
65
37

10 30 50 70 90 110 130 150 170 190


Hit#:5 Entry:11662 Library:NIST11s.lib
SI:79 Formula:C10H12O2 CAS:97-54-1 MolWeight:164 RetIndex:1410
CompName:Phenol, 2-methoxy-4-(1-propenyl)- $$ Isoeugenol $$ Phenol, 2-methoxy-4-propenyl-
O
$$ 2
100 164 HO
70
77 149
40 28
55
91 103
121 131
27 65

10 30 50 70 90 110 130 150 170 190


<< Target >>
Line#:2 R.Time:22.450(Scan#:5986) Retention Index:1412 MassPeaks:51
RawMode:Averaged 22.447-22.460(5985-5989) BasePeak:151.00(298230)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 151
50 53 65
81 109 123
40 93 137 154

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150


Hit#:1 Entry:9385 Library:NIST11s.lib
SI:96 Formula:C8H8O3 CAS:121-33-5 MolWeight:152 RetIndex:1392
CompName:Vanillin $$ Benzaldehyde, 4-hydroxy-3-methoxy- $$ p-Hydroxy-m-methoxybenzaldehyd
100 O 152
O
60
81
109 HO
20 13 27 39 51 65
95
123
137 154

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150


Hit#:2 Entry:9366 Library:NIST11s.lib
SI:96 Formula:C8H8O3 CAS:121-33-5 MolWeight:152 RetIndex:1392
CompName:Vanillin $$ Benzaldehyde, 4-hydroxy-3-methoxy- $$ p-Hydroxy-m-methoxybenzaldehyd
100 O 151
O
60 81
53 109 HO
20 36
39 65
95
123
137 154

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150


Hit#:3 Entry:9383 Library:NIST11s.lib
SI:94 Formula:C8H8O3 CAS:621-59-0 MolWeight:152 RetIndex:1392
CompName:Benzaldehyde, 3-hydroxy-4-methoxy- $$ p-Anisaldehyde, 3-hydroxy- $$ Isovanillin O$$ 3
100 HO152

60
81
109
20 12 27 39 52 65 93
123
137 154 O

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150


Hit#:4 Entry:9384 Library:NIST11s.lib
SI:91 Formula:C8H8O3 CAS:121-33-5 MolWeight:152 RetIndex:1392
CompName:Vanillin $$ Benzaldehyde, 4-hydroxy-3-methoxy- $$ p-Hydroxy-m-methoxybenzaldehyd
100 O 152
O
60
81 HO
20 2527 39 53 65 93
109 123
137 154

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150


Hit#:5 Entry:9370 Library:NIST11s.lib
SI:90 Formula:C8H8O3 CAS:621-59-0 MolWeight:152 RetIndex:1392
CompName:Benzaldehyde, 3-hydroxy-4-methoxy- $$ p-Anisaldehyde, 3-hydroxy- $$ Isovanillin O$$ 3
100 151
HO

60
20 14 18 38
51 65
81
95
109 123
137 O

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150


<< Target >>
Line#:3 R.Time:22.807(Scan#:6093) Retention Index:1426 MassPeaks:83
RawMode:Averaged 22.800-22.813(6091-6095) BasePeak:41.05(404901)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41 69 79 93 133
105
50 55 119
147 161
40 175 189 204

20 40 60 80 100 120 140 160 180 200


Hit#:1 Entry:18069 Library:NIST11s.lib
SI:94 Formula:C15H24 CAS:87-44-5 MolWeight:204 RetIndex:1494
CompName:Caryophyllene $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,
100 69 93 133
41 79
60 55
105 120
148 161
189
20 27 175 204

20 40 60 80 100 120 140 160 180 200


Hit#:2 Entry:18068 Library:NIST11s.lib
SI:94 Formula:C15H24 CAS:13877-93-5 MolWeight:204 RetIndex:1494
CompName:Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene- $$ Bicyclo[7.2.0]undec-4-ene
100 69 93
41 133
79
60 55
105
161
119
20 27
147
175
189
204

20 40 60 80 100 120 140 160 180 200


Hit#:3 Entry:18023 Library:NIST11s.lib
SI:94 Formula:C15H24 CAS:87-44-5 MolWeight:204 RetIndex:1494
CompName:Caryophyllene $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,
100 41 69 93
79 133
60 55 107 120
27 147 161
20 175 189 204

20 40 60 80 100 120 140 160 180 200


Hit#:4 Entry:18022 Library:NIST11s.lib
SI:93 Formula:C15H24 CAS:118-65-0 MolWeight:204 RetIndex:1494
CompName:Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-,[1R-(1R*,4Z,9S*)]- $$ Isocar
100 41 69 93
79 133
60 55 107
27 120
20 148 161
175 189 204

20 40 60 80 100 120 140 160 180 200


Hit#:5 Entry:18035 Library:NIST11s.lib
SI:92 Formula:C15H24 CAS:118-65-0 MolWeight:204 RetIndex:1494
CompName:Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-,[1R-(1R*,4Z,9S*)]- $$ Isocar
100 41
69
93
79 133
60 55 105 161
27 119
20 147
175
189 204

20 40 60 80 100 120 140 160 180 200


<< Target >>
Line#:4 R.Time:25.383(Scan#:6866) Retention Index:1530 MassPeaks:109
RawMode:Averaged 25.373-25.387(6863-6867) BasePeak:164.15(8349124)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 164
149
50 43
77 91 104 121
131
206
40 65 175

10 30 50 70 90 110 130 150 170 190


Hit#:1 Entry:18321 Library:NIST11s.lib
SI:91 Formula:C12H14O3 CAS:93-28-7 MolWeight:206 RetIndex:1552
CompName:Phenol, 2-methoxy-4-(2-propenyl)-, acetate $$ Phenol, 4-allyl-2-methoxy-, acetate $$ Ac O

100 164 O
O

60 43 149
77 91 103 131
20 12 15 39 65 121 206

10 30 50 70 90 110 130 150 170 190


Hit#:2 Entry:11669 Library:NIST11s.lib
SI:89 Formula:C10H12O2 CAS:97-53-0 MolWeight:164 RetIndex:1392
CompName:Eugenol $$ Phenol, 2-methoxy-4-(2-propenyl)- $$ Phenol, 4-allyl-2-methoxy- $$ p-Allyl
OH
100 164
O

60 77 103 149
91 131
55 121
20 40
65

10 30 50 70 90 110 130 150 170 190


Hit#:3 Entry:11667 Library:NIST11s.lib
SI:89 Formula:C10H12O2 CAS:97-53-0 MolWeight:164 RetIndex:1392
CompName:Eugenol $$ Phenol, 2-methoxy-4-(2-propenyl)- $$ Phenol, 4-allyl-2-methoxy- $$ p-Allyl
OH
100 164
O

60 149
77 91 103 131
121
20 37
55 65

10 30 50 70 90 110 130 150 170 190


Hit#:4 Entry:11660 Library:NIST11s.lib
SI:87 Formula:C10H12O2 CAS:5932-68-3 MolWeight:164 RetIndex:1410
CompName:trans-Isoeugenol $$ Phenol, 2-methoxy-4-(1-propenyl)-, (E)- $$ Phenol, 2-methoxy-4-pro
O
100 164 HO

60 55 103
149
77 91 121
39 131
20 25
65

10 30 50 70 90 110 130 150 170 190


Hit#:5 Entry:11666 Library:NIST11s.lib
SI:87 Formula:C10H12O2 CAS:97-53-0 MolWeight:164 RetIndex:1392
CompName:Eugenol $$ Phenol, 2-methoxy-4-(2-propenyl)- $$ Phenol, 4-allyl-2-methoxy- $$ p-Allyl
OH
100 164
O

60
149
77 103 131
20 14 27 39
55
65 91 121

10 30 50 70 90 110 130 150 170 190


<< Target >>
Line#:5 R.Time:26.850(Scan#:7306) Retention Index:1592 MassPeaks:104
RawMode:Averaged 26.847-26.860(7305-7309) BasePeak:43.00(465042)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41 79
69 93
50 109 121
40 135 149 161 177 187 205

20 40 60 80 100 120 140 160 180 200 220


Hit#:1 Entry:20008 Library:NIST11s.lib
SI:96 Formula:C15H24O CAS:1139-30-6 MolWeight:220 RetIndex:1507
CompName:Caryophyllene oxide $$ 5-Oxatricyclo[8.2.0.0(4,6)-]dodecane, 4,12,12-trimethyl-9-methy
100 43
41 79 93
69
60 109 O
121
20 36
138 149 161 177 187 205 220

20 40 60 80 100 120 140 160 180 200 220


Hit#:2 Entry:20261 Library:NIST11s.lib
SI:86 Formula:C15H26O CAS:577-27-5 MolWeight:222 RetIndex:1530
CompName:Ledol $$ 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1ar-(1a.alpha.,4.a
OH
100 41
60 69
81 109
93 122
27
20 133 147
161
179 189 204 222

20 40 60 80 100 120 140 160 180 200 220


Hit#:3 Entry:20005 Library:NIST11s.lib
SI:82 Formula:C15H24O CAS:1139-30-6 MolWeight:220 RetIndex:1507
CompName:Caryophyllene oxide $$ 5-Oxatricyclo[8.2.0.0(4,6)-]dodecane, 4,12,12-trimethyl-9-methy
100 41
43
60 79 93 O
69 107
20 121
131 149 161 177 187 205 220

20 40 60 80 100 120 140 160 180 200 220


Hit#:4 Entry:18023 Library:NIST11s.lib
SI:81 Formula:C15H24 CAS:87-44-5 MolWeight:204 RetIndex:1494
CompName:Caryophyllene $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,
100 41 69 93
79 133
60 55 107 120
27 147 161
20 175 189 204

20 40 60 80 100 120 140 160 180 200 220


Hit#:5 Entry:18068 Library:NIST11s.lib
SI:81 Formula:C15H24 CAS:13877-93-5 MolWeight:204 RetIndex:1494
CompName:Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene- $$ Bicyclo[7.2.0]undec-4-ene
100 69 93
41 133
79
60 55
105
161
119
20 27
147
175
189
204

20 40 60 80 100 120 140 160 180 200 220


Method

[Comment]

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

[AOC-20i+s]
# of Rinses with Presolvent :5
# of Rinses with Solvent(post) :5
# of Rinses with Sample :3
Plunger Speed(Suction) :Middle
Viscosity Comp. Time :0.2 sec
Plunger Speed(Injection) :Middle
Syringe Insertion Speed :Low
Injection Mode :Normal
Pumping Times :5
Inj. Port Dwell Time :0.3 sec
Terminal Air Gap :No
Plunger Washing Speed :High
Washing Volume :8uL
Syringe Suction Position :0.0 mm
Syringe Injection Position :0.0 mm
Solvent Selection :All A,B,C

[GC-2010]
Column Oven Temp. :40.0 °C
Injection Temp. :300.00 °C
Injection Mode :Split
Flow Control Mode :Linear Velocity
Pressure :65.5 kPa
Total Flow :41.0 mL/min
Column Flow :1.00 mL/min
Linear Velocity :36.0 cm/sec
Purge Flow :0.0 mL/min
Split Ratio :40.0
High Pressure Injection :OFF
Carrier Gas Saver :OFF
Splitter Hold :OFF
Oven Temp. Program
Rate Temperature(°C) Hold Time(min)
- 40.0 2.00
5.00 260.0 0.00
20.00 310.0 3.00

< Ready Check Heat Unit >


Column Oven : Yes
SPL1 : Yes
MS : Yes
< Ready Check Detector(FTD) >
< Ready Check Baseline Drift >
< Ready Check Injection Flow >
SPL1 Carrier : Yes
SPL1 Purge : Yes
< Ready Check APC Flow >
< Ready Check Detector APC Flow >
External Wait :Yes
Equilibrium Time :0.1 min
[GC Program]

[GCMS-QP2010 Ultra]
IonSourceTemp :240.00 °C
Interface Temp. :300.00 °C
Solvent Cut Time :2.00 min
Detector Gain Mode :Relative
Detector Gain :1.07 kV +0.30 kV
Threshold :3000

[MS Table]
--Group 1 - Event 1--
Start Time :2.50min
End Time :45.00min
ACQ Mode :Scan
Event Time :0.20sec
Scan Speed :2500
Start m/z :40.00
End m/z :450.00

Sample Inlet Unit :GC

[MS Program]
Use MS Program :OFF
Column Performance Report
Peak# R.Time k' T.Plate HETP Tailing F. Resolution Sep. F. Name
1 21.589 0.000 24141 1242.720 0.560 -- 0.000 Eugenol
2 22.453 0.040 937313 32.006 1.061 2.664 0.000 Vanillin
3 22.808 0.056 966797 31.030 0.959 3.821 1.410 Caryophyllene
4 25.381 0.176 205139 146.242 0.660 16.238 3.112 Phenol, 2-methoxy-4-(2-propenyl)-, ac
5 26.854 0.244 1230473 24.381 1.146 9.177 1.388 Caryophyllene oxide
Mass Table
Line#:1 R.Time:21.593(Scan#:5729)
MassPeaks:113
RawMode:Averaged 21.583-21.597(5726-5730) BasePeak:164(8283462)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
# m/z Rel. Int. # m/z Rel. Int. # m/z Rel. Int. # m/z Rel. Int.
1 40 4.57 30 70 0.15 59 99 0.11 88 131 75.76
2 41 13.07 31 71 0.53 60 101 1.00 89 132 35.24
3 42 1.20 32 72 0.06 61 102 5.57 90 133 50.02
4 43 8.61 33 73 0.33 62 103 75.28 91 134 5.52
5 44 0.34 34 74 2.47 63 104 49.14 92 135 4.75
6 45 1.99 35 75 2.93 64 105 25.55 93 136 1.10
7 46 1.18 36 76 3.20 65 106 3.44 94 137 46.46
8 47 0.19 37 77 80.63 66 107 10.36 95 138 4.13
9 49 0.52 38 78 21.94 67 108 1.82 96 139 0.36
10 50 8.76 39 79 21.72 68 109 3.07 97 144 0.05
11 51 30.56 40 80 2.32 69 110 0.64 98 145 0.79
12 52 11.33 41 81 5.38 70 111 0.07 99 146 0.61
13 53 16.97 42 82 0.63 71 113 0.12 100 147 13.89
14 54 2.07 43 83 0.23 72 114 0.33 101 148 2.50
15 55 61.61 44 84 0.05 73 115 7.15 102 149 87.73
16 56 2.16 45 85 0.29 74 116 1.69 103 150 8.88
17 57 1.08 46 86 0.46 75 117 2.36 104 151 0.78
18 58 0.21 47 87 0.56 76 118 1.81 105 152 0.05
19 59 1.05 48 88 0.31 77 119 4.83 106 161 0.22
20 60 0.86 49 89 4.82 78 120 2.95 107 162 0.52
21 61 0.95 50 90 2.11 79 121 50.46 108 163 9.79
22 62 3.14 51 91 57.18 80 122 24.35 109 164 100.00
23 63 9.08 52 92 6.66 81 123 2.79 110 165 32.92
24 64 2.98 53 93 15.82 82 124 0.74 111 166 2.28
25 65 22.91 54 94 16.22 83 125 0.06 112 167 0.14
26 66 10.70 55 95 2.57 84 127 0.14 113 200 0.07
27 67 3.32 56 96 0.42 85 128 0.13
28 68 0.99 57 97 0.13 86 129 0.28
29 69 1.92 58 98 0.30 87 130 1.29
Line#:2 R.Time:22.450(Scan#:5986)
MassPeaks:51
RawMode:Averaged 22.447-22.460(5985-5989) BasePeak:151(298230)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
# m/z Rel. Int. # m/z Rel. Int. # m/z Rel. Int. # m/z Rel. Int.
1 40 1.41 14 62 3.75 27 81 34.89 40 122 2.05
2 41 4.76 15 63 7.84 28 82 2.20 41 123 26.87
3 42 0.62 16 64 2.42 29 91 0.91 42 124 2.99
4 43 0.93 17 65 11.65 30 92 2.34 43 131 0.26
5 44 0.54 18 66 2.84 31 93 3.82 44 132 0.20
6 49 1.48 19 67 5.14 32 94 1.35 45 136 2.23
7 50 8.28 20 69 0.88 33 95 2.64 46 137 5.46
8 51 15.31 21 74 1.40 34 105 0.41 47 149 0.34
9 52 15.64 22 75 1.48 35 108 10.05 48 151 100.00
10 53 17.89 23 77 8.49 36 109 25.53 49 152 98.14
11 54 1.86 24 78 1.53 37 110 2.09 50 153 9.40
12 55 4.42 25 79 7.78 38 119 0.73 51 154 0.70
13 61 1.56 26 80 7.11 39 121 1.29
Line#:3 R.Time:22.807(Scan#:6093)
MassPeaks:83
RawMode:Averaged 22.800-22.813(6091-6095) BasePeak:41(404901)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
# m/z Rel. Int. # m/z Rel. Int. # m/z Rel. Int. # m/z Rel. Int.
1 40 7.07 5 44 0.31 9 53 22.19 13 57 6.68
2 41 100.00 6 50 1.22 10 54 2.83 14 58 0.33
3 42 4.83 7 51 5.93 11 55 33.03 15 63 1.58
4 43 14.20 8 52 4.66 12 56 2.97 16 64 0.41
# m/z Rel. Int. # m/z Rel. Int. # m/z Rel. Int. # m/z Rel. Int.
17 65 14.86 34 93 84.42 51 118 1.55 68 146 0.64
18 66 4.58 35 94 18.12 52 119 41.77 69 147 22.71
19 67 38.20 36 95 18.00 53 120 40.80 70 148 18.68
20 68 8.20 37 96 2.43 54 121 27.62 71 149 5.20
21 69 84.72 38 97 1.22 55 122 7.87 72 150 0.32
22 70 5.44 39 103 3.65 56 123 4.98 73 160 0.65
23 71 3.87 40 104 2.54 57 124 0.48 74 161 26.78
24 77 41.23 41 105 59.87 58 128 1.00 75 162 7.45
25 78 11.39 42 106 30.42 59 129 1.08 76 163 2.33
26 79 79.15 43 107 43.64 60 131 3.42 77 164 0.63
27 80 19.27 44 108 10.72 61 132 1.62 78 175 8.49
28 81 41.47 45 109 17.29 62 133 76.58 79 176 4.95
29 82 11.99 46 110 2.78 63 134 18.45 80 177 0.33
30 83 4.07 47 111 2.87 64 135 9.74 81 189 11.80
31 89 0.16 48 115 3.79 65 136 4.78 82 190 2.04
32 91 77.38 49 116 1.48 66 137 1.66 83 204 3.25
33 92 21.78 50 117 5.85 67 145 1.16
Line#:4 R.Time:25.383(Scan#:6866)
MassPeaks:109
RawMode:Averaged 25.373-25.387(6863-6867) BasePeak:164(8349124)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
# m/z Rel. Int. # m/z Rel. Int. # m/z Rel. Int. # m/z Rel. Int.
1 40 1.71 29 70 0.05 57 102 1.78 85 134 3.13
2 41 7.62 30 71 0.23 58 103 24.05 86 135 3.00
3 42 1.32 31 73 0.06 59 104 24.11 87 136 0.64
4 43 37.67 32 74 0.58 60 105 10.21 88 137 15.39
5 44 0.87 33 75 0.75 61 106 1.46 89 138 1.39
6 45 0.88 34 76 1.08 62 107 4.53 90 139 0.11
7 46 0.30 35 77 23.81 63 108 0.73 91 145 0.42
8 49 0.11 36 78 8.00 64 109 0.89 92 146 0.24
9 50 2.50 37 79 9.32 65 110 0.16 93 147 7.20
10 51 8.82 38 80 0.90 66 113 0.04 94 148 1.14
11 52 2.83 39 81 1.28 67 114 0.17 95 149 56.36
12 53 3.63 40 82 0.15 68 115 4.37 96 150 5.54
13 54 0.47 41 83 0.06 69 116 1.15 97 151 0.50
14 55 14.64 42 85 0.08 70 117 1.46 98 161 0.29
15 56 0.53 43 86 0.11 71 118 0.78 99 162 0.38
16 57 0.61 44 87 0.15 72 119 2.31 100 163 7.08
17 58 0.05 45 88 0.12 73 120 1.51 101 164 100.00
18 59 0.23 46 89 2.09 74 121 23.12 102 165 26.28
19 60 0.08 47 90 0.97 75 122 6.64 103 166 2.07
20 61 0.17 48 91 24.04 76 123 0.92 104 167 0.13
21 62 0.95 49 92 3.06 77 124 0.32 105 175 0.11
22 63 3.46 50 93 5.41 78 127 0.05 106 205 0.09
23 64 1.40 51 94 3.95 79 128 0.06 107 206 11.56
24 65 9.69 52 95 0.76 80 129 0.13 108 207 1.62
25 66 3.12 53 96 0.16 81 130 0.62 109 208 0.17
26 67 0.96 54 97 0.04 82 131 38.08
27 68 0.32 55 98 0.07 83 132 25.13
28 69 0.63 56 101 0.24 84 133 29.61
Line#:5 R.Time:26.850(Scan#:7306)
MassPeaks:104
RawMode:Averaged 26.847-26.860(7305-7309) BasePeak:43(465042)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
# m/z Rel. Int. # m/z Rel. Int. # m/z Rel. Int. # m/z Rel. Int.
1 40 5.43 7 50 0.80 13 56 4.12 19 65 11.37
2 41 86.23 8 51 4.41 14 57 5.80 20 66 4.99
3 42 4.78 9 52 2.98 15 58 2.10 21 67 41.79
4 43 100.00 10 53 17.43 16 59 1.50 22 68 10.46
5 44 4.36 11 54 3.67 17 63 1.08 23 69 54.72
6 45 2.50 12 55 35.66 18 64 0.13 24 70 5.01
# m/z Rel. Int. # m/z Rel. Int. # m/z Rel. Int. # m/z Rel. Int.
25 71 18.68 45 103 2.58 65 125 2.67 85 151 3.07
26 72 1.51 46 104 2.05 66 126 0.62 86 152 0.90
27 77 33.19 47 105 29.71 67 127 1.96 87 153 0.13
28 78 11.79 48 106 28.43 68 129 0.72 88 159 4.06
29 79 87.65 49 107 34.39 69 131 7.30 89 160 1.36
30 80 15.32 50 108 13.70 70 132 2.45 90 161 7.48
31 81 35.38 51 109 37.48 71 133 7.88 91 162 2.20
32 82 20.24 52 110 24.42 72 134 6.32 92 163 4.22
33 83 21.06 53 111 8.30 73 135 10.54 93 164 2.37
34 84 3.82 54 112 1.16 74 136 6.16 94 165 1.42
35 85 6.41 55 115 1.44 75 137 5.41 95 173 0.95
36 91 51.67 56 116 0.72 76 138 7.58 96 174 0.29
37 92 9.82 57 117 4.60 77 139 1.54 97 175 0.31
38 93 59.80 58 118 2.28 78 140 0.78 98 176 2.03
39 94 15.86 59 119 17.68 79 145 3.67 99 177 5.33
40 95 43.94 60 120 15.61 80 146 2.02 100 178 0.73
41 96 27.61 61 121 26.88 81 147 6.58 101 187 2.41
42 97 7.04 62 122 8.67 82 148 2.31 102 191 0.85
43 98 0.94 63 123 18.63 83 149 9.18 103 192 0.45
44 99 0.66 64 124 3.40 84 150 1.72 104 205 1.70

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