Report Colonia.

txt
FileName CAS Name RT RI Width Purity Model Min.
Abund. Amount Scan Peak Tailing S/N (total) Base Peak Max.
Amount Area Intgr.Signal Max. Area Extra Width Models Frac.
Good Expec. RT RI-RI(lib) Net Weighted Simple Reverse
Corrections (m/z) S/N (m/z) Area % (m/z) Conc. RT-RT(lib)
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 64-17-5 ethanol ICW=900 IHP1=500 1.7460
482.0 >14 scans 38% 45 m/z (31) 0.0067% 2.31% 271 4.0
1284 1989855 52529857 49553910 0-1 2: 45 43
0.991 -18.0 94 95 82 98

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 105-57-7 1,1-DIETHOXY ETHANE / ACETAL /

ACETALDEHYDE DIETHYLACETAL 3.9745 723.2 7.4 scans 74% 45 m/z
1.1% 0.0106% 634 3.1 119 11462 241716 239894
0-1 10: 45 73 103 47 43 29 27 61 30 72 0.987 5.2 98
97 89 99
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 629-14-1 DIETHOXY ETHANE ETHYLENE GLYCOL
DIE 3.9745 723.2 7.4 scans 74% 45 m/z 1.1% 0.0106% 634
3.1 119 11462 241716 239894 0-1 10: 45 73 103 47
43 29 27 61 30 72 0.987 18.2 97 96 87 98

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 18172-67-3 ALPHA PINENE DBW=1016 U1=930

INNO=1013 se=923 9.8064 932.4 5.9 scans 97% 93 m/z 0.022%
0.642% 1586 0.8 1009 587691 14583373 14029814
1-1 20: 93 91 92 77 79 121 39 41 105 80 94 67 53 136 65 107 51 27 78 55
0.999 2.4 100 99 95 99

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 508-32-7 TRICYCLENE I(INNO)=996

1,7,7-TRIMETHYLTRICYCLO[2.2.1.0]HEPTA 9.8064 932.4 5.9 scans 97%
93 m/z 0.022% 0.642% 1586 0.8 1009 587691 14583373
14029814 1-1 20: 93 91 92 77 79 121 39 41 105 80 94 67 53 136
65 107 51 27 78 55 0.999 14.4 96 95 92 96

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 498-15-7 DELTA-3-CARENE I(DBW)=1136

I(U1)=1004 I(INNO)=1158 Ise=997 ( 9.8064 932.4 5.9 scans 97%
93 m/z 0.022% 0.642% 1586 0.8 1009 587691 14583373
14029814 1-1 20: 93 91 92 77 79 121 39 41 105 80 94 67 53 136
65 107 51 27 78 55 0.999 -71.6 95 97 93 97

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 ALPHA THUJENE INNO=1018 U1=923 9.8064

932.4 5.9 scans 97% 93 m/z 0.022% 0.642% 1586 0.8 1009
587691 14583373 14029814 1-1 20: 93 91 92 77
79 121 39 41 105 80 94 67 53 136 65 107 51 27 78 55 0.999 9.4
95 94 92 95
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 13877-91-3 cis beta OCIMENE I(U1)=1027
I(INNO)=1228 Ise=1021 cis 3,7-DI 9.8064 932.4 5.9 scans 97%
93 m/z 0.022% 0.642% 1586 0.8 1009 587691 14583373
14029814 1-1 20: 93 91 92 77 79 121 39 41 105 80 94 67 53 136
65 107 51 27 78 55 0.999 -94.6 93 95 93 96

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 3387-41-5 SABINENE DBW=1112 U1=964

INNO=1113 SE=958 9.8064 932.4 5.9 scans 97% 93 m/z 0.022%
0.642% 1586 0.8 1009 587691 14583373 14029814
1-1 20: 93 91 92 77 79 121 39 41 105 80 94 67 53 136 65 107 51 27 78 55
0.999 -31.6 92 92 89 92

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 106-68-3 ETHYL AMYL CETONE 10.0650

940.2 5.1 scans 81% 57 m/z 1.7% 0.0106% 1628 1.1 138
7486 241641 232178 1-2 14: 57 43 71 72 99 29 41 73 128
39 55 42 58 81 0.983 -28.8 96 95 84 98

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 79-92-5 CAMPHENE DBW=1058 U1=940 INNO=1053

apo=933 10.3371 948.4 5.8 scans 72% 93 m/z 2.8% 0.00740%
1673 0.9 106 4709 167936 148156 4-2 15: 93
121 79 107 67 68 41 136 39 53 52 78 82 122 65 0.984 8.4 99
99 95 99
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 100-52-7 BENZALDEHYDE I(DBW)=1497
I(INNO)=1518 I(U1)=927 I(FFAP)=1540 10.7978 962.4 7.6 scans 29%
105 m/z 14% 0.00138% 1748 1.5 38 891 31473
Page 1
 Report Colonia.txt
26850 3-2 6: 105 106 77 51 78 50 0.954 35.4 92
96 82 96
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 3387-41-5 SABINENE DBW=1112 U1=964
INNO=1113 SE=958 11.1079 971.8 5.6 scans 74% 93 m/z 1.9%
0.00654% 1799 1.0 104 6868 148531 142592
2-2 19: 93 91 77 136 94 92 80 41 39 51 53 65 121 27 105 43 63 107 55
0.991 7.8 98 97 92 98

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 PHELLANDRENE BETA I(DBW)=1197 I(U1)=1019

11.1079 971.8 5.6 scans 74% 93 m/z 1.9% 0.00654% 1799
1.0 104 6868 148531 142592 2-2 19: 93 91 77 136
94 92 80 41 39 51 53 65 121 27 105 43 63 107 55 0.991 -47.2 95
96 93 97
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 18172-67-3 BETA PINENE DBW=1102 U1=968
INNO=1097 11.1079 971.8 5.6 scans 74% 93 m/z 1.9% 0.00654%
1799 1.0 104 6868 148531 142592 2-2 19: 93 91
77 136 94 92 80 41 39 51 53 65 121 27 105 43 63 107 55 0.991 3.8
94 94 88 94
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 4221-98-1 R(-)ALPHA PHELLANDRENE
I(INNO)=1160 (R)-5-ISOPROPYL-2-METHYL 11.1079 971.8 5.6 scans 74%
93 m/z 1.9% 0.00654% 1799 1.0 104 6868 148531
142592 2-2 19: 93 91 77 136 94 92 80 41 39 51 53 65 121 27 105 43 63
107 55 0.991 -18.2 91 91 87 91

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 498-15-7 DELTA-3-CARENE I(DBW)=1136

I(U1)=1004 I(INNO)=1158 Ise=997 ( 11.1079 971.8 5.6 scans 74%
93 m/z 1.9% 0.00654% 1799 1.0 104 6868 148531
142592 2-2 19: 93 91 77 136 94 92 80 41 39 51 53 65 121 27 105 43 63
107 55 0.991 -32.2 91 91 87 91

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 1233-50-3 MYRCENE DBW=1150 U1=982 INNO=1154

se=977 11.6642 988.6 5.7 scans 93% 93 m/z 0.32% 0.0493% 1889
1.0 284 40842 1120053 1075670 1-1 20: 93 41 69 91
39 77 67 92 27 80 68 70 136 107 78 43 63 50 54 56 0.995 6.6
99 98 94 98
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 18172-67-3 BETA PINENE DBW=1102 U1=968
INNO=1097 11.6642 988.6 5.7 scans 93% 93 m/z 0.32% 0.0493%
1889 1.0 284 40842 1120053 1075670 1-1 20: 93 41
69 91 39 77 67 92 27 80 68 70 136 107 78 43 63 50 54 56 0.995 20.6
96 95 93 96
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 4221-98-1 R(-)ALPHA PHELLANDRENE
I(INNO)=1160 (R)-5-ISOPROPYL-2-METHYL 12.2035 1005.0 6.1 scans 29%
TIC 10% 0.000409% 1977 1.2 40 1271 9269
9269 0-0 0.877 15.0 92 94 80
94
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 ALPHA PHELLANDRENE 12.2035 1005.0
6.1 scans 29% TIC 10% 0.000409% 1977 1.2 40
1271 9269 9269 0-0 0.877 12.0
92 95 85 94
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 ALPHA PHELLANDRENE 12.2041 1005.1
5.8 scans 24% 93 m/z 10% 0.000824% 1978 0.9 37
1227 18694 16964 1-1 6: 93 91 77 136 92 79 0.871
12.1 92 95 77 94
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 4221-98-1 R(-)ALPHA PHELLANDRENE
I(INNO)=1160 (R)-5-ISOPROPYL-2-METHYL 12.2041 1005.1 5.8 scans 24%
93 m/z 10% 0.000824% 1978 0.9 37 1227 18694
16964 1-1 6: 93 91 77 136 92 79 0.871 15.1 91
93 70 93
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 498-15-7 DELTA-3-CARENE I(DBW)=1136
I(U1)=1004 I(INNO)=1158 Ise=997 ( 12.2984 1008.0 5.6 scans 62%
93 m/z 3.8% 0.00396% 1993 0.9 81 3426 89842
85880 1-1 13: 93 91 79 77 80 136 41 94 65 39 67 51 119 0.977
4.0 96 97 89 97
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 18172-67-3 ALPHA PINENE DBW=1016 U1=930
INNO=1013 se=923 12.2984 1008.0 5.6 scans 62% 93 m/z 3.8%
0.00396% 1993 0.9 81 3426 89842 85880
1-1 13: 93 91 79 77 80 136 41 94 65 39 67 51 119 0.977 78.0
93 96 90 96
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 Report Colonia.txt
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 99-85-4 GAMMA TERPINENE DBW=1232 U1=1048
INNO=1237 apo=1039 12.2984 1008.0 5.6 scans 62% 93 m/z 3.8%
0.00396% 1993 0.9 81 3426 89842 85880
1-1 13: 93 91 79 77 80 136 41 94 65 39 67 51 119 0.977 -40.0
93 94 88 94
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 13877-91-3 trans beta OCIMENE I(DBW)=1237
I(U1)=1038 I(INNO)=1244 (TRAN 12.2984 1008.0 5.6 scans 62% 93 m/z
3.8% 0.00396% 1993 0.9 81 3426 89842 85880
1-1 13: 93 91 79 77 80 136 41 94 65 39 67 51 119 0.977 -30.0
93 93 86 93
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 508-32-7 TRICYCLENE I(INNO)=996
1,7,7-TRIMETHYLTRICYCLO[2.2.1.0]HEPTA 12.2984 1008.0 5.6 scans 62%
93 m/z 3.8% 0.00396% 1993 0.9 81 3426 89842
85880 1-1 13: 93 91 79 77 80 136 41 94 65 39 67 51 119 0.977
90.0 91 95 86 95
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 TRICYCLENE 12.2984 1008.0 5.6 scans
62% 93 m/z 3.8% 0.00396% 1993 0.9 81 3426
89842 85880 1-1 13: 93 91 79 77 80 136 41 94 65 39 67 51 119
0.977 92.0 90 94 86 94

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 99-87-6 paraCYMENE I(DBW)=1255 I(U1)=1011

I(INNO)=1262 Ise=1006 1-ME 12.8168 1024.0 >8 scans 30% TIC
0.20% 0.0515% 2077 0.7 277 65367 1169959 1084303
1-0 0.993 13.0 97 97 94 99

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 D.P.G U1=995 12.8756 1025.8 >11 scans

39% 45 m/z 0.23% 0.0511% 2087 0.6 331 55642 1160618
1160618 0-0 18: 45 59 42 43 75 71 57 41 97 90 29 48 19 61 83 49 55 17
0.996 24.8 95 94 83 98

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 25265-71-8 D.P.G. CW:1790 12.8756 1025.8

>11 scans 39% 45 m/z 0.23% 0.0511% 2087 0.6 331 55642
1160618 1160618 0-0 18: 45 59 42 43 75 71 57 41 97 90 29 48 19 61 83
49 55 17 0.996 -2.2 93 91 81 96

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 5989-27-5 LIMONENE DBW=INNO=1187 U1=1021

SE=1013 FFAP=1203 13.0018 1029.7 7.8 scans 86% 68 m/z (89)
0.021% 1.66% 2108 0.4 1404 625219 37766531 36015336
1-1 20: 68 67 93 79 94 121 92 107 91 53 39 136 77 41 80 81 65 95 51
27 1.000 8.7 98 98 96 99

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 470-82-6 EUCALYPTOL I(DBW)=1202 I(U1)=1018

CINEOLE-1,8 13.0729 1031.9 4.7 scans 48% 81 m/z 0.18% 0.148%
2119 1.2 551 72562 3371847 3249188 1-1 17: 81
108 111 84 71 69 154 139 93 55 96 68 67 83 95 53 79 0.992 15.9
97 96 90 97
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 100-51-6 ALCOOL BENZYLIQUE HPW=1875
DBW=1852 U1=1002 INNO=1866 FFAP=1888 13.1924 1035.6 6.8 scans 44%
79 m/z 0.10% 0.203% 2139 0.7 519 133242 4617304 4225886
2-3 19: 79 108 77 107 51 91 50 78 80 65 63 52 74 105 62 38 76 37 66 0.995
33.6 99 98 96 99
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 13877-91-3 trans beta OCIMENE I(DBW)=1237
I(U1)=1038 I(INNO)=1244 (TRAN 13.5208 1045.7 5.4 scans 5.5% 91 m/z
2.3% 0.00593% 2192 1.2 106 5659 134732 129794
1-2 14: 91 79 77 92 105 53 94 65 106 136 78 66 50 54 0.981
7.7 93 94 81 94
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 99-85-4 TERPINENE GAMMA 13.5208 1045.7 5.4 scans
5.5% 91 m/z 2.3% 0.00593% 2192 1.2 106 5659
134732 129794 1-2 14: 91 79 77 92 105 53 94 65 106 136 78 66 50 54
0.981 -1.3 92 92 85 96

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 498-15-7 DELTA-3-CARENE I(DBW)=1136

I(U1)=1004 I(INNO)=1158 Ise=997 ( 13.5208 1045.7 5.4 scans 5.5%
91 m/z 2.3% 0.00593% 2192 1.2 106 5659 134732
129794 1-2 14: 91 79 77 92 105 53 94 65 106 136 78 66 50 54
0.981 41.7 91 93 82 94

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 99-85-4 GAMMA TERPINENE DBW=1232 U1=1048

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 Report Colonia.txt
INNO=1237 apo=1039 13.9093 1057.7 5.4 scans 34% 93 m/z (59)
0.13% 0.116% 2256 0.9 438 100386 2636222 2547808
1-1 20: 93 91 77 136 121 92 79 105 94 65 107 78 51 53 137 106 122 52 115 63
0.996 9.7 97 98 95 99

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 586-62-9 TERPINOLENE INNO=1273 U1=1078

se=1069 13.9093 1057.7 5.4 scans 34% 93 m/z (59) 0.13% 0.116%
2256 0.9 438 100386 2636222 2547808 1-1 20: 93 91
77 136 121 92 79 105 94 65 107 78 51 53 137 106 122 52 115 63 0.996
-20.3 92 93 90 94
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 99-86-5 ALPHA TERPINENE I(U1)=1008 I(INNO)=1171
Ise=1004 1-METHYL-4- 13.9093 1057.7 5.4 scans 34% 93 m/z (59)
0.13% 0.116% 2256 0.9 438 100386 2636222 2547808
1-1 20: 93 91 77 136 121 92 79 105 94 65 107 78 51 53 137 106 122 52 115 63
0.996 49.7 90 93 91 94

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 25265-71-8 D.P.G. isomere 2 IVDD CW:1790

14.0992 1063.6 >14 scans 96% 59 m/z 0.021% 0.861% 2287 0.2
821 607359 19532903 19267106 0-2 20: 59 31
103 45 41 43 29 42 57 58 27 39 60 28 61 44 75 15 30 89 1.000 8.6
96 93 81 99
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 106-62-7 DIPROPYLENEGLYCOL 4 U1=1050
14.0992 1063.6 >14 scans 96% 59 m/z 0.021% 0.861% 2287 0.2
821 607359 19532903 19267106 0-2 20: 59 31
103 45 41 43 29 42 57 58 27 39 60 28 61 44 75 15 30 89 1.000 13.6
94 91 79 98
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 D.P.G ISOMERE 2 14.0992 1063.6 >14 scans
96% 59 m/z 0.021% 0.861% 2287 0.2 821 607359 19532903
19267106 0-2 20: 59 31 103 45 41 43 29 42 57 58 27 39 60 28 61
44 75 15 30 89 1.000 44.6 92 89 77 99

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 TRIPLAL 1 DIMETHYL-2,4 CYCLOHE XENE-3

CARBOXALDE 14.5851 1078.6 5.5 scans 83% 67 m/z 1.3% 0.0256%
2366 1.4 202 9567 582130 548635 1-1 20: 67
107 123 95 91 109 105 79 81 77 93 55 41 53 120 51 43 68 94 69 0.990
1.6 99 98 94 99
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 27939-60-2 TRIPLAL 2,4-DIMETHYL-3-CYCL
14.5851 1078.6 5.5 scans 83% 67 m/z 1.3% 0.0256% 2366 1.4
202 9567 582130 548635 1-1 20: 67 107 123 95 91 109
105 79 81 77 93 55 41 53 120 51 43 68 94 69 0.990 34.6 99
99 94 99
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 67801-65-4 CYCLOVERTAL 1
3,6-DIMETHYL-3-CYCLOH 14.5851 1078.6 5.5 scans 83% 67 m/z 1.3%
0.0256% 2366 1.4 202 9567 582130 548635 1-1
20: 67 107 123 95 91 109 105 79 81 77 93 55 41 53 120 51 43 68 94 69 0.990
19.6 97 96 92 96
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 106-62-7 DIPROPYLENEGLYCOL 4 U1=1050
14.8805 1087.8 >14 scans 93% 59 m/z 0.047% 0.409% 2414 0.1
580 278163 9290226 8976861 0-5 20: 59 31 45 41 43 57 39
58 27 81 69 40 55 19 152 82 38 47 105 79 0.994 37.8 94
92 79 98
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 25265-71-8 D.P.G. isomere 2 IVDD CW:1790
14.8805 1087.8 >14 scans 93% 59 m/z 0.047% 0.409% 2414 0.1
580 278163 9290226 8976861 0-5 20: 59 31 45 41 43 57 39
58 27 81 69 40 55 19 152 82 38 47 105 79 0.994 32.8 93
90 78 97
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 D.P.G ISOMERE 2 14.8805 1087.8 >14 scans
93% 59 m/z 0.047% 0.409% 2414 0.1 580 278163 9290226
8976861 0-5 20: 59 31 45 41 43 57 39 58 27 81 69 40 55 19 152 82 38
47 105 79 0.994 68.8 92 91 78 99

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 78-70-6 LINALOL DBW=1535 U1=1084 INNO=1528

Ise=1077 15.2720 1099.8 7.8 scans 97% 71 m/z 0.040% 0.890%
2478 0.4 1036 332697 20201450 19597590
1-1 20: 71 93 43 41 55 69 80 121 67 39 83 92 53 79 68 27 81 91 94 56
1.000 15.8 99 98 95 99

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 ALPHA-THUJONE 15.4442 1105.5 >4 scans

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 Report Colonia.txt
72% TIC 2.3% 0.00613% 2506 0.5 137 5728
139194 136889 1-0 0.991 10.5 96 95
90 99
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 546-80-5 ALPHA THUJONE 15.4442 1105.5
>4 scans 72% TIC 2.3% 0.00613% 2506 0.5 137
5728 139194 136889 1-0 0.991 19.5
95 95 91 95
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 1125-12-8 ALPHA THUJONE 15.4442 1105.5
>4 scans 72% TIC 2.3% 0.00613% 2506 0.5 137
5728 139194 136889 1-0 0.991 19.5
91 87 81 98
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 TRIPLAL 2 DIMETHYL-2,4 CYCLOHE XENE-3
CARBOX 15.4907 1107.1 5.7 scans 89% TIC 0.37% 0.0774% 2514
0.8 349 35493 0.0812% 1757355 1602349 1842022 0-2 0.990
55.1 96 97 93 98
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 67801-65-4 CYCLOVERTAL 2 15.4907 1107.1
5.7 scans 89% TIC 0.37% 0.0774% 2514 0.8 349 35493
0.0812% 1757355 1602349 1842022 0-2 0.990 39.1 96
96 92 97
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 27939-60-2 TRIPLAL 2,4-DIMETHYL-3-CYCL
15.4907 1107.1 5.7 scans 89% TIC 0.37% 0.0774% 2514 0.8
349 35493 0.0812% 1757355 1602349 1842022 0-2 0.990
63.1 94 95 92 96
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 546-80-5 BETA THUJONE 15.7971 1117.2
5.0 scans 42% 81 m/z 9.7% 0.00242% 2564 0.9 67
1371 54922 50273 5-0 9: 81 110 68 95 69 67 109 53 56
0.921 21.2 94 96 86 95

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 ALPHA-THUJONE 15.7971 1117.2 5.0 scans

42% 81 m/z 9.7% 0.00242% 2564 0.9 67 1371
54922 50273 5-0 9: 81 110 68 95 69 67 109 53 56 0.921
22.2 94 97 90 97
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 22457-23-4 STEMONE I(DBW)=1709
5-METHYL-3-HEPTANONE OXIME ou 2-methyl-5 15.9681 1122.9 5.8 scans
82% 87 m/z 0.49% 0.0239% 2592 0.8 193 27012 542258
479834 1-3 19: 87 41 55 29 86 57 27 39 54 68 69 53 96 110 98 44 51
26 46 0.992 -0.1 99 97 89 99

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 CIS BETA TERPINEOL I(U1)=1125

IVDD(CW)=1601 I(INNO)=1611 16.7628 1149.2 6.7 scans 67% TIC
3.4% 0.00865% 2721 1.7 120 3837 196378 183278
1-1 0.921 24.2 94 94 84 97

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 140-11-4 BENZYL ACETATE 17.1090 1160.7

5.5 scans 26% 91 m/z 14% 0.000938% 2778 1.2 40
895 0.00101% 21275 21275 22912 0-0 7: 91 108 90 150 65 89
107 0.929 21.7 90 95 82 94

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 93-92-5 ACETATE STYRALLYLE U1=1163 FFAP=1673

CW=1650 METHYLPHENYLCAR 17.9490 1188.5 8.0 scans 96% 122 m/z 0.023%
1.36% 2915 0.3 1277 572495 30968781 29313015
1-1 20: 122 104 105 43 77 107 79 78 103 51 164 121 50 106 39 63 52 102 76 65
1.000 25.5 100 99 97 99

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 98-55-5 alpha TERPINEOL HPW=1698 U1=1170 DBW=1677

INNO=1686 se=1161 18.1512 1195.2 4.9 scans 95% 59 m/z 0.22%
0.0911% 2948 1.1 412 60048 2067865 2005089 1-1
20: 59 93 121 136 81 43 67 92 79 41 95 77 68 91 55 39 94 71 53 80 0.998
25.2 99 98 95 99
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 10482-56-1 ALPHA TERPINEOL 18.1512 1195.2
4.9 scans 95% 59 m/z 0.22% 0.0911% 2948 1.1 412 60048
2067865 2005089 1-1 20: 59 93 121 136 81 43 67 92 79 41 95 77 68 91
55 39 94 71 53 80 0.998 20.2 93 89 87 97

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 2153-26-6 FORMIATE TERPENYLE =

PARA-MENTH-1-EN-8-Y 18.1512 1195.2 4.9 scans 95% 59 m/z 0.22%
0.0911% 2948 1.1 412 60048 2067865 2005089 1-1
20: 59 93 121 136 81 43 67 92 79 41 95 77 68 91 55 39 94 71 53 80 0.998
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-102.8 91 94 89 94
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 138-87-4 GAMMA TERPINEOL DBW=1685 U1=1177
INNO=1682 apo=1166 18.2848 1199.6 5.3 scans 84% 121 m/z 0.86%
0.0192% 2970 1.1 185 15444 437163 417744 1-2
19: 121 93 136 43 79 55 41 91 39 77 137 95 58 68 80 27 139 51 54 0.985
22.6 99 99 94 99
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 8007-35-0 TERPENYL ACETATE 18.2848
1199.6 5.3 scans 84% 121 m/z 0.86% 0.0192% 2970 1.1 185
15444 437163 417744 1-2 19: 121 93 136 43 79 55 41 91 39
77 137 95 58 68 80 27 139 51 54 0.985 -131.4 92 95 92
99
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 80-26-2 TERPENYLE ACETATE IINNO=1674(22%) +
1560(4%) U1=1335 apo=1315 18.2848 1199.6 5.3 scans 84% 121 m/z
0.86% 0.0192% 2970 1.1 185 15444 437163 417744
1-2 19: 121 93 136 43 79 55 41 91 39 77 137 95 58 68 80 27 139 51 54
0.985 -135.4 91 96 92 98

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 1118-39-4 ACETATE BERGAMYLE 2 MYRCENYL

ACETATE (I 18.2848 1199.6 5.3 scans 84% 121 m/z 0.86% 0.0192%
2970 1.1 185 15444 437163 417744 1-2 19: 121
93 136 43 79 55 41 91 39 77 137 95 58 68 80 27 139 51 54 0.985
-117.4 90 94 90 96
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 2153-26-6 FORMIATE TERPENYLE =
PARA-MENTH-1-EN-8-Y 18.2848 1199.6 5.3 scans 84% 121 m/z 0.86%
0.0192% 2970 1.1 185 15444 437163 417744 1-2
19: 121 93 136 43 79 55 41 91 39 77 137 95 58 68 80 27 139 51 54 0.985
-98.4 90 93 89 95
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 112-31-2 ALDEHYDE C10 INNO=1492 U1=1183
apo=1179 DECANAL, DECYLALDEHYDE 18.3975 1203.6 5.3 scans 53% 43 m/z
7.0% 0.00330% 2988 1.0 79 1892 74888 68695
0-2 18: 43 83 57 41 55 56 68 82 67 69 44 112 136 39 84 42 54 110 0.929
20.6 92 94 89 94
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 67634-00-8 ALLYL AMYL GLYCOLATE isomere 2
pentyloxy glycola ted'allyle 19.2787 1234.7 5.8 scans 89% 43 m/z
0.29% 0.0621% 3132 1.0 316 45957 1409412 1286696
1-1 20: 43 41 71 69 100 55 39 56 29 58 54 57 27 70 45 44 82 99 85 72
0.995 20.7 98 97 91 99

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 6485-40-1 (-)CARVONE I(INNO)=1718 CARVOL

(R)-5-ISOPROPENYL-2-METHYL-2- 19.5311 1243.6 5.7 scans 81% 82 m/z
1.0% 0.0161% 3173 1.0 164 12598 367096 342521
2-1 19: 82 93 54 108 39 107 53 79 41 94 58 67 27 92 95 51 135 68 105
0.981 43.6 95 96 92 97

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 115-95-7 ACETATE LINALYLE DBW=1543 U1=1243

INNO=1541 apo=1224 19.6831 1249.0 8.5 scans 96% 93 m/z 0.013%
1.93% 3198 0.3 1484 963735 43867661 41587973
0-1 20: 93 43 80 41 121 69 71 55 92 79 67 91 94 81 39 68 53 107 105 77
1.000 6.0 99 98 96 99

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 115-99-1 FORMIATE LINALYLE

3,7-DIMETHYL-1,6-OCT 19.6831 1249.0 8.5 scans 96% 93 m/z 0.013%
1.93% 3198 0.3 1484 963735 43867661 41587973
0-1 20: 93 43 80 41 121 69 71 55 92 79 67 91 94 81 39 68 53 107 105 77
1.000 58.0 95 95 92 97

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 78-35-3 ISOBUTYRATE LINALYLE 3,7-DIMETHYL-1,6-OC

19.6831 1249.0 8.5 scans 96% 93 m/z 0.013% 1.93% 3198 0.3
1484 963735 43867661 41587973 0-1 20: 93 43
80 41 121 69 71 55 92 79 67 91 94 81 39 68 53 107 105 77 1.000
-108.0 92 95 93 96
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 144-39-8 LINALYLE PROPIONATE HPW=1611
po=1597 apo=1316 19.6831 1249.0 8.5 scans 96% 93 m/z 0.013%
1.93% 3198 0.3 1484 963735 43867661 41587973
0-1 20: 93 43 80 41 121 69 71 55 92 79 67 91 94 81 39 68 53 107 105 77
1.000 -67.0 91 91 85 93

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 78-36-4 BUTYRATE LINALYLE 3,7-DIMETHYL-1,6-OCT

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19.6831 1249.0 8.5 scans 96% 93 m/z 0.013% 1.93% 3198 0.3
1484 963735 43867661 41587973 0-1 20: 93 43
80 41 121 69 71 55 92 79 67 91 94 81 39 68 53 107 105 77 1.000
-155.0 90 96 94 97
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 5392-40-5 GERANIAL INNO=1726 APO=1235
3,7-DIMETHYLOCTA-2,6-DIENAL(E) 20.1763 1266.4 5.5 scans 95% 69 m/z
0.14% 0.100% 3279 0.9 410 94445 2272908 2200316
1-2 20: 69 41 84 39 94 83 53 67 137 109 27 123 29 81 70 55 95 82 79 91
0.997 31.4 97 97 92 98

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 NERAL I(INNO)=1716 20.1763 1266.4

5.5 scans 95% 69 m/z 0.14% 0.100% 3279 0.9 410 94445
2272908 2200316 1-2 20: 69 41 84 39 94 83 53 67 137 109 27 123 29 81
70 55 95 82 79 91 0.997 51.4 90 88 87 98

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 118-61-6 ETHYLE SALICYLATE 20.2351

1268.5 5.4 scans 65% 120 m/z (82) 1.1% 0.00832% 3288
1.1 116 11697 188746 175943 1-2 8: 120 92 166 121
65 64 63 38 0.984 21.5 94 95 89 97

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 104-55-2 ALDEHYDE CINNAMIQUE 3-PHENYL

PROPENAL 20.3528 1272.6 7.0 scans 58% 131 m/z 2.8% 0.00694%
3307 1.8 93 4640 157447 146720 1-1 18: 131
132 103 77 51 104 78 102 74 50 105 133 63 75 62 65 76 71 0.889
25.6 98 99 93 99
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 141-12-8 NERYLE ACETATE DBW=1709 U1=1341
INNO=1715 cw=1699 22.5990 1355.3 5.2 scans 79% 69 m/z 1.2%
0.0126% 3674 1.0 154 10648 286013 270960 1-1
20: 69 41 93 68 80 67 121 53 39 92 94 81 107 85 91 95 27 105 109 29 0.981
13.3 98 98 95 98
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 105-87-3 GERANYLE ACETATE DBW=1739 U1=1358
INNO=1736 22.5990 1355.3 5.2 scans 79% 69 m/z 1.2% 0.0126%
3674 1.0 154 10648 286013 270960 1-1 20: 69 41
93 68 80 67 121 53 39 92 94 81 107 85 91 95 27 105 109 29 0.981
-2.7 96 95 93 96
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 1118-39-4 ACETATE BERGAMYLE 6 MYRCENYL
ACETATE (I 22.5990 1355.3 5.2 scans 79% 69 m/z 1.2% 0.0126%
3674 1.0 154 10648 286013 270960 1-1 20: 69 41
93 68 80 67 121 53 39 92 94 81 107 85 91 95 27 105 109 29 0.981
6.3 95 95 93 97
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 25905-14-0 LAVANDULYLE ACETATE U1=1272
apo=1264 22.5990 1355.3 5.2 scans 79% 69 m/z 1.2% 0.0126%
3674 1.0 154 10648 286013 270960 1-1 20: 69 41
93 68 80 67 121 53 39 92 94 81 107 85 91 95 27 105 109 29 0.981
83.3 93 96 94 96
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 105-87-3 GERANYLE ACETATE DBW=1739 U1=1358
INNO=1736 23.1113 1374.5 5.5 scans 88% 69 m/z 0.62% 0.0244%
3758 1.1 202 21312 555558 533985 1-1 20: 69 41
43 68 93 121 67 80 136 53 85 81 70 91 79 55 77 84 122 123 0.998
16.5 99 98 96 98
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 1118-39-4 ACETATE BERGAMYLE 6 MYRCENYL
ACETATE (I 23.1113 1374.5 5.5 scans 88% 69 m/z 0.62% 0.0244%
3758 1.1 202 21312 555558 533985 1-1 20: 69 41
43 68 93 121 67 80 136 53 85 81 70 91 79 55 77 84 122 123 0.998
25.5 98 97 95 99
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 141-12-8 NERYLE ACETATE DBW=1709 U1=1341
INNO=1715 cw=1699 23.1113 1374.5 5.5 scans 88% 69 m/z 0.62%
0.0244% 3758 1.1 202 21312 555558 533985 1-1
20: 69 41 43 68 93 121 67 80 136 53 85 81 70 91 79 55 77 84 122 123 0.998
32.5 97 97 95 97
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 25905-14-0 LAVANDULYLE ACETATE U1=1272
apo=1264 23.1113 1374.5 5.5 scans 88% 69 m/z 0.62% 0.0244%
3758 1.1 202 21312 555558 533985 1-1 20: 69 41
43 68 93 121 67 80 136 53 85 81 70 91 79 55 77 84 122 123 0.998
102.5 92 95 95 96
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 23696-85-7 DAMASCENONE I(DBW)=1799
I(INNO)=1814 I(U1)=1360 Ise=1352 4-( 23.2118 1378.3 5.6 scans 74%
69 m/z (103) 1.1% 0.0119% 3774 1.0 137 11635 271548
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250217 2-1 19: 69 121 41 91 190 77 106 120 39 122 119 65 53 78 129
159 117 116 157 0.988 18.3 95 96 93 96

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 43052-87-5 DAMASCONE ALPHA 2

1-(2,6,6-TRIMETHYL- 23.4826 1388.5 5.6 scans 76% 69 m/z 0.47%
0.0228% 3818 0.8 184 28078 517282 461771 2-3
16: 69 81 123 192 41 39 93 79 67 55 121 53 177 124 149 92 0.945
17.5 95 94 92 98
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 469-61-4 (-)ALPHA CEDRENE FFAP=1588
+1574(mineur) apo=1385 U1=1409 24.2681 1419.1 5.9 scans 91% 119 m/z
0.36% 0.0516% 3946 1.0 283 36969 1172202 1127764
1-1 20: 119 93 105 91 204 41 161 77 120 69 92 121 79 147 107 136 39 94 106 67
0.992 34.1 98 98 95 99

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 BOIS DE CEDRE ATLAS 3 HIMACHALE 24.2681

1419.1 5.9 scans 91% 119 m/z 0.36% 0.0516% 3946 1.0 283
36969 1172202 1127764 1-1 20: 119 93 105 91 204 41 161 77
120 69 92 121 79 147 107 136 39 94 106 67 0.992 -19.9 90
90 88 90
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 546-28-1 (+)BETA CEDRENE
(1S,2R,5S)-8-METHYLE 24.4734 1427.2 6.2 scans 79% 69 m/z 1.8%
0.0158% 3980 0.7 156 7376 359111 328621 2-1
20: 69 204 41 105 55 134 79 162 71 57 67 121 39 107 94 78 160 56 70 115 0.981
39.2 97 98 93 98
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 THUJOPSENE 24.7448 1438.1 6.0 scans
95% 119 m/z 0.20% 0.204% 4024 0.9 558 64303 4639025
4402257 3-2 20: 119 105 123 121 93 91 107 133 41 79 81 77 69 92 55
204 94 120 109 95 0.998 11.1 99 98 96 98

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 470-40-6 (-)THUJOPSENE

(1S,6S,10S)-2,2,6,9- 24.7448 1438.1 6.0 scans 95% 119 m/z 0.20%
0.204% 4024 0.9 558 64303 4639025 4402257 3-2
20: 119 105 123 121 93 91 107 133 41 79 81 77 69 92 55 204 94 120 109 95
0.998 34.1 99 98 96 99

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 PATCHOULI 3 U1=1437 pol=1667 apo=1442

25.1241 1453.2 5.9 scans 57% 189 m/z 8.8% 0.00480% 4086
1.1 90 1512 109060 101585 1-2 17: 189 119 93 77
94 79 107 53 121 204 120 106 69 65 148 115 82 0.927 16.2 92
93 84 93
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 68083-58-9 ACETATE VETIKOL I(DBW)=1917
I(INNO)=1955 BENZENE PROPANOL,AL 25.3379 1461.7 6.0 scans 88%
TIC 0.20% 0.0469% 4121 0.9 276 64536 1065189 987140
1-1 0.996 26.7 98 98 96 98

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 VERTACETAL 1,3-DIOXANE,4-PHENY 25.3379

1461.7 6.0 scans 88% TIC 0.20% 0.0469% 4121 0.9 276
64536 1065189 987140 1-1 0.996 18.7
98 97 95 97
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 14901-07-6 IONONE BETA I(DBW)=1912
I(INNO)=1931 I(U1)=1463 Ise=1451 4-( 25.7901 1479.7 6.3 scans 93%
177 m/z 0.030% 0.474% 4195 0.7 833 437901 10774997
10055000 2-4 20: 177 43 91 178 135 93 77 41 107 121 105 79 95
149 122 133 119 39 109 159 0.994 16.7 100 99 95
99
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 2437-25-4 CLONAL DODECANE NITRILE 25.9335
1485.4 6.1 scans 71% 97 m/z (127) 1.5% 0.0323% 4218 1.1
215 8731 732813 682863 2-1 19: 97 96 110 82 41 57 83
124 69 54 56 42 152 71 39 98 125 112 85 0.990 33.4 94 96
91 98
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 DODECANENITRILE HPW=1942 DBW=1933 U1=1545
CW=1910 HP1=1461 25.9335 1485.4 6.1 scans 71% 97 m/z (127)
1.5% 0.0323% 4218 1.1 215 8731 732813 682863
2-1 19: 97 96 110 82 41 57 83 124 69 54 56 42 152 71 39 98 125 112 85
0.990 -59.6 91 94 91 98

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 33704-61-9 CASHMERAN dihydro-6,7 pentam

ethyl-1,1,2,3," 4(5H)indanoneIV 26.2705 1498.9 6.1 scans 94% 191 m/z
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0.050% 0.511% 4273 0.7 875 265445 11599093 10742083
2-1 20: 191 206 135 163 107 121 91 55 77 41 192 105 149 79 93 119 173
133 65 147 0.999 19.9 100 99 97 99

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 121-00-6 BUTYLHYDROXYTOLUENE I(DBW)=1890

I(U1)=1490 2,6-bis(DIMETHYLE 26.3471 1502.1 5.9 scans 94% 205 m/z
(97) 0.023% 0.517% 4286 0.7 876 563280 11750730
10872007 1-2 20: 205 220 206 57 145 177 105 91 41 115 81 221
128 67 129 131 77 55 189 119 0.999 12.1 95 94 90
99
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 CUPARENE I(FFAP)=1841 26.5518 1510.9
5.9 scans 66% 132 m/z (136) 0.47% 0.0358% 4319 0.9 233
28339 814133 781121 3-1 15: 132 131 145 202 117 115 129
128 203 143 142 70 89 160 110 0.981 15.9 96 98 93
98
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 36306-87-3 vient KEPHALIS DBW=1786+1789
U1=1529+1541 27.1302 1535.9 10.9 scans 49% TIC 1.3% 0.00687%
4413 2.2 100 9851 155931 144639 2-0
0.892 6.9 95 96 80 96

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 84-66-2 DIETHYLE PHTALATE I(DBW)=2338 I(U1)=1549

I(INNO)=2303 Ise=15 28.3556 1588.7 9.3 scans 88% 149 m/z (53)
0.13% 0.108% 4613 1.1 320 100967 2450862 2291648
2-1 16: 149 150 76 176 65 105 93 121 29 51 39 132 52 92 194 73 0.996
39.7 97 99 95 100
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 77-53-2 CEDROL 28.9959 1616.9 6.4 scans
54% 95 m/z (191) 0.35% 0.0990% 4718 1.0 385 37525
2247459 2184999 1-0 20: 95 135 81 41 119 149 122 53 147 94 137 177
179 92 164 189 110 78 80 166 0.973 21.9 91 93 87
94
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 32388-55-9 CEDRANFIX CEDRAMBER (IFF)
29.3219 1631.4 >8 scans 82% 81 m/z 0.061% 0.531% 4771 0.9
876 216538 0.940% 12046030 11357781 21323899 3-0
18: 81 41 53 43 67 39 137 120 29 152 27 52 116 40 180 114 75 171 0.986
11.4 94 94 88 94
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 70788-30-6 TIMBEROL I(INNO)=2061 + 2084,
3-HEXANOL-1-(2,2,6-TRIMETHYLCY 29.3679 1633.4 >7 scans 75% TIC
0.14% 0.214% 4779 1.2 684 89454 0.540% 4858982 4858982 12249899
0-0 0.996 35.4 91 91 90 92

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 vient CISDIONE DBW=2236+2245 U1=1610

29.6571 1646.3 8.4 scans 82% 84 m/z 0.31% 0.117% 4826 1.2
366 42594 2668536 2382281 2-1 20: 84 137 55 111 83 110
67 143 81 195 54 39 142 53 95 29 82 27 194 96 0.991 36.3 96
97 93 98
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 ISO E SUPER 1 2-ACETONA 30.2906 1674.5
>14 scans 81% 191 m/z 0.012% 3.77% 4929 0.2 1711 1075396
85594106 80085759 0-2 18: 191 69 189 110 134 129 141
142 102 113 125 126 72 100 62 139 61 46 0.998 27.5 95 94
92 97
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 ISO E SUPER 2 2-ACETONA 30.4095 1679.8
8.2 scans 89% 191 m/z 0.014% 1.74% 4949 0.3 1476 915621
39640665 39640665 0-0 20: 191 109 121 43 95 135 91 107
105 69 192 119 41 93 219 79 77 123 55 106 0.998 15.8 94
92 90 97
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 6259-76-3 HEXYL SALICYLATE 30.5167
1684.5 9.0 scans 8.5% 120 m/z (83) 0.074% 0.183% 4966 0.6
424 178663 4154827 3945933 1-2 17: 120 138 84 93 222 92
157 139 141 64 63 223 195 44 128 72 140 0.738 16.5 91 95
73 97
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 ISO E SUPER 3 2-ACETONA 30.9101 1702.2
8.9 scans 91% 121 m/z 0.026% 1.83% 5030 0.5 1374 494817
41704952 38771492 1-3 18: 121 43 107 41 192 151 59 137
80 173 52 176 132 142 217 45 144 100 0.990 15.2 93 89
88 98
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 11111-11-1 EVERNYL DBW=3059 U1=1676 apo=1651
31.1705 1714.3 7.3 scans 79% 136 m/z 0.061% 0.317% 5073 0.7
635 216140 7204699 6843644 1-2 20: 136 164 196 165 79
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107 77 53 108 163 39 197 51 80 52 90 63 66 50 15 0.889 38.3
98 98 90 99
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 JASMONAL 32.0204 1754.1 >13 scans
97% 129 m/z 0.020% 3.09% 5212 0.2 1651 647107 70098484
68987047 0-1 20: 129 117 115 91 145 131 116 215 128 173 41 141
130 77 159 118 174 39 104 146 0.999 29.1 99 98 96
99
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 101-86-0 alpha HEXYLCINNAMALDEHYDE U1=1716
SE=1706 HP=1743 JASMONAL 32.0204 1754.1 >13 scans 97% 129 m/z
0.020% 3.09% 5212 0.2 1651 647107 70098484 68987047
0-1 20: 129 117 115 91 145 131 116 215 128 173 41 141 130 77 159 118
174 39 104 146 0.999 38.1 98 97 95 99

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 1405-92-1 ACETATE DE CEDRENYLE IVDD:SE 1780

IVDD:CW 2107 32.4236 1773.0 11.5 scans 84% TIC 0.11% 0.451%
5277 1.0 779 113397 0.599% 10248834 9264201 13588314
5-0 0.994 -7.0 96 95 93 96

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 77-54-3 ACETATE CEDRYLE 32.4236 1773.0 11.5

scans 84% TIC 0.11% 0.451% 5277 1.0 779 113397 0.599%
10248834 9264201 13588314 5-0 0.994 47.0
94 94 91 95
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 AMBROXAN 32.4505 1774.2 6.6 scans
26% 221 m/z (129) 0.14% 0.0969% 5282 0.8 362 90286
2199490 2118351 1-1 7: 221 97 137 222 85 236 238 0.710
31.2 92 96 64 96
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 EXALTOLIDE ANGELICA LACTONE IVDD CW20M
=2202 33.8451 1841.5 >11 scans 51% 99 m/z 0.048% 0.712% 5509
0.2 1159 276658 1.69% 16172131 16172131 38337648
0-0 16: 99 240 180 172 151 113 120 162 239 221 142 92 182 146 184 242
0.999 23.5 96 94 93 98

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 106-02-5 EXALTEX FIRMENICH IVDD CW 2241

33.8451 1841.5 >11 scans 51% 99 m/z 0.048% 0.712% 5509 0.2
1159 276658 1.69% 16172131 16172131 38337648 0-0
16: 99 240 180 172 151 113 120 162 239 221 142 92 182 146 184 242 0.999
40.5 94 94 93 96
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 106-02-5 EXALTEX FIRMENICH IVDD CW 2241
33.8537 1841.9 >14 scans 98% 55 m/z 0.027% 3.12% 5511 0.2
1640 478845 70869128 70159015 0-1 20: 55 41
82 69 81 67 68 83 96 95 97 43 98 29 42 56 84 110 39 54 1.000 40.9
93 91 92 96
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 0-00-0 EXALTOLIDE ANGELICA LACTONE IVDD CW20M
=2202 33.8537 1841.9 >14 scans 98% 55 m/z 0.027% 3.12% 5511
0.2 1640 478845 70869128 70159015 0-1
20: 55 41 82 69 81 67 68 83 96 95 97 43 98 29 42 56 84 110 39 54 1.000
23.9 92 89 91 97
C:\MSDCHEM\1\DATA\PRUEBA1.FIN 3100-36-5 CYCLOHEXADECENON 8-CYCLOHE
35.5393 1925.9 6.3 scans 96% TIC 0.11% 0.487% 5786 0.7
849 121201 11048165 10710269 2-1
0.995 37.9 93 90 93 98

C:\MSDCHEM\1\DATA\PRUEBA1.FIN 105-95-3 MUSC BRB I(INNO)=2763 I(HP1)=2011

Icw=2630 ETHYLENEBRASSYLA 37.4743 2026.9 >13 scans 98% 55 m/z
0.023% 4.46% 6102 0.2 1868 575290 101244020 101244020
0-0 20: 55 98 41 86 227 99 84 69 83 43 112 42 97 211 87 67 187 81 125
29 1.000 62.9 95 95 94 97

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