Chromatogram Plot

File: c:\varianws\data_xyz\analisa\kai kelas b kelompok 4.sms

Sample: Operator: mei
Scan Range: 1 - 1628 Time Range: 0.00 - 18.98 min. Date: 3/26/2018 2:19 PM
MCounts KAI kelas B kelompok 4.SMS 40:152
40:152

200

150
3.402 min

100

Sample Report for kai kelas b kelompok 4.sms

Sample ID: Operator: mei

Instrument
50 ID: Varian GC/MS Last Calibration: 12/11/2013 2:55 PM
Acquisition Date: 3/26/2018 2:19 PM Data File: ...las b kelompok 4.sms
Calculation Date: 3/27/2018 8:55 AM Method: ... genap 2017-2018.mth
Inj. Sample Notes: None

MCounts
175
13.162 min

150
125
100 0
75
50 2.5 5.0 7.5 10.0 12.5 15.0 17.5
minutes
25 Seg 2, Analysis, Time: 1.50-19.00, EI-Auto-Full, 40-152 m/z

179 2.5 399 5.0 619 7.5 10.0

838 12.5
1059 15.0
1278 17.5
1497 Scans
minutes
Seg 1 Seg 2, Analysis, Time: 1.50-19.00, EI-Auto-Full, 40-152 m/z
179 399 619 838 1059 1278 1497 Scans

Target Compounds
# RT Peak Name Res Type Quan Ions Area Amount/RF
1 3.402 Senyawa A Id. 91.2 3.334e+7 33341626 Counts
2 13.162 Senyawa B Id. 150.9 8.030e+6 8030090 Counts

MCounts
175
150 1
125
100
Best 10 Hits of Search NIST Libraries for Spectrum
Target Spectrum
Search Spectrum
BP: 91.1 (3.054e+7=100%), kai kelas b kelompok 4.sms 3.384 min, Scan: 257, 40:152, Ion: 10 us, RIC: 7.786e+7, BC
100% 91.1
3.054e+7
75%

50%

25% 65.0 89.3

2.363e+6 3.037e+6
0%
50 75 100 125 150
m/z

Hit 1 R.Match: 889, F.Match: 835, Probability: 54.33

Match Toluene
BP 91.0 (999=100%) 11290 in REPLIB CAS No. 108-88-3, C7H8, MW 92
100% 91.0
999
75%

50%
39.0 65.0
25% 51.0 93.0
130 108
66 51
0%
30 40 50 60 70 80 90
m/z

Spectrum 11290 from REPLIB Library

Name: Toluene
Pair Count: 39 MW: 92 Formula: C7H8
CAS No: 108-88-3 Acquired Range: 26.0 - 93.0 m/z

Hit 2 R.Match: 877, F.Match: 827, Probability: 54.33

Match Toluene
BP 91.0 (999=100%) 47426 in MAINLIB CAS No. 108-88-3, C7H8, MW 92
100% 91.0
999
75%

50%

25% 39.0 65.0

51.0 93.0
107 121
64 54
0%
30 40 50 60 70 80 90
m/z

Spectrum 47426 from MAINLIB Library

Name: Toluene
Pair Count: 41 MW: 92 Formula: C7H8
CAS No: 108-88-3 Acquired Range: 26.0 - 94.0 m/z

Hit 3 R.Match: 871, F.Match: 820, Probability: 54.33

Match Toluene
BP 91.0 (999=100%) 151 in TUTORIAL CAS No. 108-88-3, C7H8, MW 92
100% 91.0
999
75%

50%

25% 39.0 65.0

102 92
0%
40 50 60 70 80 90
m/z

Spectrum 151 from TUTORIAL Library

Name: Toluene
Pair Count: 25 MW: 92 Formula: C7H8
CAS No: 108-88-3 Acquired Range: 37.0 - 93.0 m/z

2
Best 10 Hits of Search NIST Libraries for Spectrum - Page 2
Hit 4 R.Match: 859, F.Match: 812, Probability: 54.33
Match Toluene
BP 91.0 (999=100%) 11291 in REPLIB CAS No. 108-88-3, C7H8, MW 92
100% 91.0
999
75%

50%
39.0
51.0 65.0
25% 27.0 199 89.0 93.0
103 142
52 56 55
0%
0 25 50 75
m/z

Spectrum 11291 from REPLIB Library

Name: Toluene
Pair Count: 60 MW: 92 Formula: C7H8
CAS No: 108-88-3 Acquired Range: 1.0 - 94.0 m/z

Hit 5 R.Match: 806, F.Match: 781, Probability: 10.64

Match Tricyclo[3.2.2.0(2,4)]non-8-ene-6,6,7,7-tetracarbonitrile
BP 92.0 (999=100%) 51013 in MAINLIB CAS No. 62249-53-0, C13H8N4, MW 220
100% 92.0 N
999
75% N

50% N
39.0 N
27.0 227 65.0
25% 51.0 76.0 93.0
103 152
97 74 67
0%
50 100 150 200
m/z

Spectrum 51013 from MAINLIB Library

Name: Tricyclo[3.2.2.0(2,4)]non-8-ene-6,6,7,7-tetracarbonitrile
Pair Count: 123 MW: 220 Formula: C13H8N4
CAS No: 62249-53-0 Acquired Range: 27.0 - 223.0 m/z

Hit 6 R.Match: 815, F.Match: 766, Probability: 6.45

Match N-Hydroxymethyl-2-phenylacetamide
BP 91.0 (999=100%) 47433 in MAINLIB CAS No. 6291-06-1, C9H11NO2, MW 165
100% 91.0 O
999
75% NH
OH
50%
65.0
44.0
25% 51.0 218 89.0 135.0 165.0
158
62 83 71 54
0%
50 75 100 125 150
m/z

Spectrum 47433 from MAINLIB Library

Name: N-Hydroxymethyl-2-phenylacetamide
Pair Count: 51 MW: 165 Formula: C9H11NO2
CAS No: 6291-06-1 Acquired Range: 41.0 - 166.0 m/z

Hit 7 R.Match: 797, F.Match: 753, Probability: 4.16

Match Benzeneacetamide
BP 91.0 (999=100%) 11304 in REPLIB CAS No. 103-81-1, C8H9NO, MW 135
100% 91.0 NH2
999
75%
O
50% 44.0 65.0
269 306 135.0
25% 51.0 89.0
115 168
106
0%
25 50 75 100 125
m/z

Spectrum 11304 from REPLIB Library

Name: Benzeneacetamide
Pair Count: 50 MW: 135 Formula: C8H9NO
CAS No: 103-81-1 Acquired Range: 12.0 - 137.0 m/z
3
Best 10 Hits of Search NIST Libraries for Spectrum - Page 3
Hit 8 R.Match: 798, F.Match: 752, Probability: 4.00
Match 1,3,5-Cycloheptatriene
BP 91.0 (999=100%) 47458 in MAINLIB CAS No. 544-25-2, C7H8, MW 92
100% 91.0
999
75%
92.0
50% 474
39.0 65.0
25% 170 51.0 196
65
0%
20 30 40 50 60 70 80 90
m/z

Spectrum 47458 from MAINLIB Library

Name: 1,3,5-Cycloheptatriene
Pair Count: 45 MW: 92 Formula: C7H8
CAS No: 544-25-2 Acquired Range: 15.0 - 94.0 m/z

Hit 9 R.Match: 768, F.Match: 744, Probability: 2.98

Match Benzeneethanol, .alpha.-methyl-
BP 92.0 (999=100%) 11884 in REPLIB CAS No. 698-87-3, C9H12O, MW 136
100% 92.0 OH
999
75%

50%
65.0
25% 45.0 93.0 103.0 121.0 136.0
137
67 73 62 52 76
0%
50 75 100 125
m/z

Spectrum 11884 from REPLIB Library

Name: Benzeneethanol, .alpha.-methyl-
Pair Count: 76 MW: 136 Formula: C9H12O
CAS No: 698-87-3 Acquired Range: 42.0 - 138.0 m/z

Hit 10 R.Match: 807, F.Match: 732, Probability: 1.99

Match Spiro[2.4]hepta-4,6-diene
BP 91.0 (999=100%) 47417 in MAINLIB CAS No. 765-46-8, C7H8, MW 92
100% 91.0
999
75%
92.0
50% 387
65.0
25% 39.0 141
58
0%
30 40 50 60 70 80 90
m/z

Spectrum 47417 from MAINLIB Library

Name: Spiro[2.4]hepta-4,6-diene
Pair Count: 55 MW: 92 Formula: C7H8
CAS No: 765-46-8 Acquired Range: 24.0 - 94.0 m/z

4
Best 10 Hits of Search NIST Libraries for Spectrum
Target Spectrum
Search Spectrum
BP: 150.8 (1.946e+6=100%), kai kelas b kelompok 4.sms 13.156 min, Scan: 1116, 40:152, Ion: 10 us, RIC: 5.495e+6, BC
100% 150.8
1.946e+6
75%

50%
80.8 108.8 122.8
25% 52.9
64.9 290616 305818 353074
231974
121264
0%
50 75 100 125 150
m/z

Hit 1 R.Match: 874, F.Match: 874, Probability: 44.37

Match Vanillin
BP 152.0 (999=100%) 20152 in REPLIB CAS No. 121-33-5, C8H8O3, MW 152
100% 152.0
O
999 O
75%
HO
50%
81.0 109.0 123.0
25% 53.0 206 167 137.0 153.0
152
81 58 92
0%
25 50 75 100 125 150
m/z

Spectrum 20152 from REPLIB Library

Name: Vanillin
Pair Count: 103 MW: 152 Formula: C8H8O3
CAS No: 121-33-5 Acquired Range: 25.0 - 154.0 m/z

Hit 2 R.Match: 872, F.Match: 872, Probability: 44.37

Match Vanillin
BP 151.0 (999=100%) 20015 in REPLIB CAS No. 121-33-5, C8H8O3, MW 152
100% 151.0
O
999 O
75%
HO
50% 81.0
305 109.0 123.0
53.0 231
25% 39.0 65.0 185 137.0 153.0
153
59 94 56 89
0%
25 50 75 100 125 150
m/z

Spectrum 20015 from REPLIB Library

Name: Vanillin
Pair Count: 81 MW: 152 Formula: C8H8O3
CAS No: 121-33-5 Acquired Range: 14.0 - 154.0 m/z

Hit 3 R.Match: 855, F.Match: 855, Probability: 21.54

Match Benzaldehyde, 3-hydroxy-4-methoxy-
BP 151.0 (999=100%) 20018 in REPLIB CAS No. 621-59-0, C8H8O3, MW 152
100% 151.0
999 O
75% HO
50%
51.0 81.0 123.0
25% 65.0 109.0 153.0
43.0 141 163 178
74 122 74 O
63
0%
25 50 75 100 125 150
m/z

Spectrum 20018 from REPLIB Library

Name: Benzaldehyde, 3-hydroxy-4-methoxy-
Pair Count: 49 MW: 152 Formula: C8H8O3
CAS No: 621-59-0 Acquired Range: 14.0 - 153.0 m/z

5
Best 10 Hits of Search NIST Libraries for Spectrum - Page 2
Hit 4 R.Match: 854, F.Match: 854, Probability: 20.71
Match Propenylguaethol
BP 152.0 (999=100%) 98715 in MAINLIB CAS No. 94-86-0, C8H8O3, MW 152
100% 152.0 O
HO
999
75%
O
50% 81.0
303 109.0
29.0 39.0 51.0 65.0 123.0
25% 223 137.0
119 119 159 119 161
63
0%
25 50 75 100 125 150
m/z

Spectrum 98715 from MAINLIB Library

Name: Propenylguaethol
Pair Count: 45 MW: 152 Formula: C8H8O3
CAS No: 94-86-0 Acquired Range: 29.0 - 154.0 m/z

Hit 5 R.Match: 850, F.Match: 850, Probability: 21.54

Match Benzaldehyde, 3-hydroxy-4-methoxy-
BP 152.0 (999=100%) 98714 in MAINLIB CAS No. 621-59-0, C8H8O3, MW 152
100% 152.0
999 O
75% HO
50% 81.0
266 109.0 123.0
25% 27.0 39.0 52.0 65.0 189 153.0
146 137.0
82 74 114 84 90 O
57
0%
25 50 75 100 125 150
m/z

Spectrum 98714 from MAINLIB Library

Name: Benzaldehyde, 3-hydroxy-4-methoxy-
Pair Count: 89 MW: 152 Formula: C8H8O3
CAS No: 621-59-0 Acquired Range: 12.0 - 154.0 m/z

Hit 6 R.Match: 840, F.Match: 840, Probability: 44.37

Match Vanillin
BP 152.0 (999=100%) 98716 in MAINLIB CAS No. 121-33-5, C8H8O3, MW 152
100% 152.0
O
999 O
75%
HO
50% 81.0
309 109.0 123.0
51.0
25% 27.0 39.0 65.0 221 171 137.0 153.0
161
87 101 102 69 91
0%
25 50 75 100 125 150
m/z

Spectrum 98716 from MAINLIB Library

Name: Vanillin
Pair Count: 86 MW: 152 Formula: C8H8O3
CAS No: 121-33-5 Acquired Range: 13.0 - 154.0 m/z

Hit 7 R.Match: 836, F.Match: 836, Probability: 44.37

Match Vanillin
BP 151.0 (999=100%) 20013 in REPLIB CAS No. 121-33-5, C8H8O3, MW 152
100% 151.0
O
999 O
75%
HO
50% 81.0
369 109.0
51.0 123.0
27.0 39.0 65.0 265
25% 204 79.0 208 137.0 153.0
125 126 126 79 87
69
0%
25 50 75 100 125 150
m/z

Spectrum 20013 from REPLIB Library

Name: Vanillin
Pair Count: 106 MW: 152 Formula: C8H8O3
CAS No: 121-33-5 Acquired Range: 25.0 - 154.0 m/z
6
Best 10 Hits of Search NIST Libraries for Spectrum - Page 3
Hit 8 R.Match: 825, F.Match: 825, Probability: 5.86
Match 4-Hydroxy-2-methoxybenaldehyde
BP 151.0 (999=100%) 98103 in MAINLIB CAS No. 18278-34-7, C8H8O3, MW 152
100% 151.0 O
999
75%
123.0 O
50% 81.0 109.0 416 HO
53.0 314 277 153.0
39.0 65.0 137.0
25% 194 198
107 138 105
0%
50 75 100 125 150
m/z

Spectrum 98103 from MAINLIB Library

Name: 4-Hydroxy-2-methoxybenaldehyde
Pair Count: 74 MW: 152 Formula: C8H8O3
CAS No: 18278-34-7 Acquired Range: 37.0 - 155.0 m/z

Hit 9 R.Match: 823, F.Match: 823, Probability: 5.41

Match Benzaldehyde, 3-(chloroacetoxy)-4-methoxy-
BP 152.0 (999=100%) 98717 in MAINLIB CAS No. 66267-38-7, C10H9ClO4, MW 228
100% 152.0 O
999
75%
O
50% O
81.0 Cl
39.0 53.0 65.0 109.0 123.0 153.0 O
25% 188 145 137.0
104 111 96 126 99
58
0%
50 100 150 200
m/z

Spectrum 98717 from MAINLIB Library

Name: Benzaldehyde, 3-(chloroacetoxy)-4-methoxy-
Pair Count: 65 MW: 228 Formula: C10H9ClO4
CAS No: 66267-38-7 Acquired Range: 39.0 - 230.0 m/z

Hit 10 R.Match: 821, F.Match: 821, Probability: 21.54

Match Benzaldehyde, 3-hydroxy-4-methoxy-
BP 151.0 (999=100%) 20012 in REPLIB CAS No. 621-59-0, C8H8O3, MW 152
100% 151.0
999 O
75% HO
81.0
50% 53.0 450 109.0
29.0 332 123.0
15.0 39.0 65.0 281
25% 225 79.0 216 153.0
166 155 141 137.0
111 86 O
50
0%
25 50 75 100 125 150
m/z

Spectrum 20012 from REPLIB Library

Name: Benzaldehyde, 3-hydroxy-4-methoxy-
Pair Count: 80 MW: 152 Formula: C8H8O3
CAS No: 621-59-0 Acquired Range: 12.0 - 154.0 m/z