57 dsq 100 thermo tr-...123 137 151 166 179 193 207 220 235 246 264 282 h o o (mainlib)...
TRANSCRIPT
![Page 1: 57 DSQ 100 THERMO TR-...123 137 151 166 179 193 207 220 235 246 264 282 H O O (mainlib) Z,Z,Z-1,4,6,9-Nonadecatetraene 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 0 50](https://reader033.vdocuments.pub/reader033/viewer/2022060803/6087311362634b4324656a3c/html5/thumbnails/1.jpg)
ХРОМАТО-МАСС-СПЕКТРОМЕТРИЧЕСКИЙ АНАЛИЗ
Средство измерений:
Комплекс аппаратно-программируемый для медицинских исследований на
базе хроматографа «Хроматэк-Кристалл 5000.1» с МСД (детектором масс-
спектрометрическим) Trace DSQ и программным обеспечением Xcalibur с масс-
спектрометрической библиотекой данных органических веществ NIST11 и Wiley9
с кварцевой капиллярной колонкой THERMO TR-5MS (50м-0,25ID-1,0um).
Режим анализа: Время анализа [60 мин]
Термостат: Температура, °C [50 °C, 5 мин, 10 °C/мин, 280 °C]
Колонка: Газ-носитель (Гелий) [0.9 мл/мин, 0 мин]
Сброс потока [0 мл/мин, 1 мин; 30 мл/мин] Деление потока [0]
Испаритель : Температура, °C [280 °C, 0 мин]
МСД: Температура, °C [250 °C, 0 мин]
Detector Gain: 1,00X10^5 (1100 V)
Fore Pressure (mTorr): 50
Mass range (m/z): 15–650
Ionization Energy (eV): 70.0
В ходе исследования 15 образцов морской и речной воды, а
также 3 образцов замороженной биомассы были обнаружены
следующие группы соединений:
1. Компоненты нефтяных фракций:
(wiley9) Tridecane (CAS)
50 100 150 200 250 300 350 400 450 500 550 600 6500
50
10043
57
71
85
98
![Page 2: 57 DSQ 100 THERMO TR-...123 137 151 166 179 193 207 220 235 246 264 282 H O O (mainlib) Z,Z,Z-1,4,6,9-Nonadecatetraene 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 0 50](https://reader033.vdocuments.pub/reader033/viewer/2022060803/6087311362634b4324656a3c/html5/thumbnails/2.jpg)
(wiley9) Pentadecane (CAS)
50 100 150 200 250 300 350 400 450 500 550 600 6500
50
10043
57
71
85
99
(mainlib) Octadecane, 6-methyl-
50 100 150 200 250 300 350 400 450 500 550 600 6500
50
100
28
43
57
71
85
127 155 196 224 253
(wiley9) Eicosane (CAS)
50 100 150 200 250 300 350 400 450 500 550 600 6500
50
10043
71
85
99
127 155 183 211 238 282
![Page 3: 57 DSQ 100 THERMO TR-...123 137 151 166 179 193 207 220 235 246 264 282 H O O (mainlib) Z,Z,Z-1,4,6,9-Nonadecatetraene 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 0 50](https://reader033.vdocuments.pub/reader033/viewer/2022060803/6087311362634b4324656a3c/html5/thumbnails/3.jpg)
2. Жирные кислоты и эфиры:
(mainlib) Oleic Acid
20 40 60 80 100 120 140 160 180 200 220 240 260 2800
50
100
15
29
41
55
69
83
97
111123 137 151 166 179 193 207 220 235 246
264282
HO
O
(mainlib) Z,Z,Z-1,4,6,9-Nonadecatetraene
20 40 60 80 100 120 140 160 180 200 220 240 260 280 3000
50
10041
5567
7991
105
119133
147161 180 206 219 231 245
260
![Page 4: 57 DSQ 100 THERMO TR-...123 137 151 166 179 193 207 220 235 246 264 282 H O O (mainlib) Z,Z,Z-1,4,6,9-Nonadecatetraene 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 0 50](https://reader033.vdocuments.pub/reader033/viewer/2022060803/6087311362634b4324656a3c/html5/thumbnails/4.jpg)
(mainlib) 3,6-Octadecadiynoic acid, methyl ester
50 100 150 200 250 300 350 400 450 500 550 6000
50
10043
57
7191
134
O
O
(mainlib) 9-Octadecen-12-ynoic acid, methyl ester
40 80 120 160 200 240 280 320 360 400 440 480 520 560 6000
50
10043
57
7193
107135 164 187 210
236261 292
O
O
![Page 5: 57 DSQ 100 THERMO TR-...123 137 151 166 179 193 207 220 235 246 264 282 H O O (mainlib) Z,Z,Z-1,4,6,9-Nonadecatetraene 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 0 50](https://reader033.vdocuments.pub/reader033/viewer/2022060803/6087311362634b4324656a3c/html5/thumbnails/5.jpg)
(wiley9) Methyl nonenoate
50 100 150 200 250 300 350 400 450 500 550 6000
50
10041
55
74
96
110
138
O
O
(mainlib) Cyclopropanetetradecanoic acid, 2-octyl-, methyl ester
50 100 150 200 250 300 350 400 450 500 550 600 6500
50
100
45
55
73
83 112
129
147178 241 362 394
O
O
(mainlib) Cyclopentaneundecanoic acid
20 40 60 80 100 120 140 160 180 200 220 240 2600
50
100
27
41
55
60
67
73 83
87 97111
129140 155 169 185 211 254
OH
O
![Page 6: 57 DSQ 100 THERMO TR-...123 137 151 166 179 193 207 220 235 246 264 282 H O O (mainlib) Z,Z,Z-1,4,6,9-Nonadecatetraene 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 0 50](https://reader033.vdocuments.pub/reader033/viewer/2022060803/6087311362634b4324656a3c/html5/thumbnails/6.jpg)
3. Азотсодержащие соединения:
(mainlib) 1,3-Pentanediol, 4-methyl-2-nitro-
50 100 150 200 250 300 350 400 450 500 550 600 6500
50
100
27
43
74
90 120
O
N
O
HO
OH
(replib) Dimethadione
10 20 30 40 50 60 70 80 90 100 1100
50
100
15 27
39
43
53
59
70
O
NH
O
O
![Page 7: 57 DSQ 100 THERMO TR-...123 137 151 166 179 193 207 220 235 246 264 282 H O O (mainlib) Z,Z,Z-1,4,6,9-Nonadecatetraene 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 0 50](https://reader033.vdocuments.pub/reader033/viewer/2022060803/6087311362634b4324656a3c/html5/thumbnails/7.jpg)
(wiley9) Piperazine, 1-methyl- (CAS)
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 1900
50
100
15
28
42
58
7080 85
100
NHN
(wiley9) 2-Propanamine, 2-methyl- (CAS)
10 20 30 40 50 60 70 80 90 100 110 1200
50
100
15
30
32
39
41
51
58
68 71 74
NH2
(wiley9) 2-(2-Aminoethylamino)ethanol
20 40 60 80 100 120 140 160 180 200 220 240 260 2800
50
10018
30
42
58
73 8699
NH2
NH
HO
![Page 8: 57 DSQ 100 THERMO TR-...123 137 151 166 179 193 207 220 235 246 264 282 H O O (mainlib) Z,Z,Z-1,4,6,9-Nonadecatetraene 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 0 50](https://reader033.vdocuments.pub/reader033/viewer/2022060803/6087311362634b4324656a3c/html5/thumbnails/8.jpg)
(wiley9) 2-Piperidinone (CAS)
10 20 30 40 50 60 70 80 90 100 110 1200
50
100
15 18
28
30
39
42
55
5868
70
82
99
O
NH
(wiley9) 1-Butanol, 2-amino- (CAS)
10 20 30 40 50 60 70 80 90 100 110 120 130 1400
50
100
15
19
28
30
36
39
41
44
49
56
58
60
68
72
75
7785
89
NH2
HO
![Page 9: 57 DSQ 100 THERMO TR-...123 137 151 166 179 193 207 220 235 246 264 282 H O O (mainlib) Z,Z,Z-1,4,6,9-Nonadecatetraene 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 0 50](https://reader033.vdocuments.pub/reader033/viewer/2022060803/6087311362634b4324656a3c/html5/thumbnails/9.jpg)
4. Кислородсодержащие соединения:
(mainlib) 1,4-Butanediamine
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 2200
50
100
15
30
43
59
7076 82
88
H2N
NH2
(wiley9) 1-Allylazetidine
40 80 120 160 200 240 280 320 360 400 440 480 520 5600
50
100
28
41
55
68
82
97
N
![Page 10: 57 DSQ 100 THERMO TR-...123 137 151 166 179 193 207 220 235 246 264 282 H O O (mainlib) Z,Z,Z-1,4,6,9-Nonadecatetraene 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 0 50](https://reader033.vdocuments.pub/reader033/viewer/2022060803/6087311362634b4324656a3c/html5/thumbnails/10.jpg)
(wiley9) 3-Hexanol, 2-methyl- (CAS)
50 100 150 200 250 300 350 400 450 500 550 600 6500
50
100
18
27
43
57
72
83
OH
(replib) 4-Tetradecanol
40 80 120 160 200 240 280 320 360 400 440 480 520 560 6000
50
100
29
43
55
73
97
111
125
171
196
OH
(wiley9) 2-Pentanone, 4-hydroxy-4-methyl- (CAS)
10 20 30 40 50 60 70 80 90 100 1100
50
100
15
17 20
27
3139
43
49 52 55
58
63 66 69 72 77 80 83 101
HO
O
![Page 11: 57 DSQ 100 THERMO TR-...123 137 151 166 179 193 207 220 235 246 264 282 H O O (mainlib) Z,Z,Z-1,4,6,9-Nonadecatetraene 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 0 50](https://reader033.vdocuments.pub/reader033/viewer/2022060803/6087311362634b4324656a3c/html5/thumbnails/11.jpg)
(mainlib) Oxalic acid, heptyl propyl ester
40 80 120 160 200 240 280 320 360 400 440 480 5200
50
100
29
43
57
70
83 98115 143
O
O
O
O
(wiley9) Acetic acid, anhydride with formic acid
10 20 30 40 50 60 70 80 90 100 110 1200
50
100
15
18
29
31
43
45
56
60
62 73 87
O H
O O
(mainlib) Pentanoic acid, octyl ester
40 80 120 160 200 240 280 320 360 400 440 480 520 560 6000
50
100
29
41
57
70
85
103
139
O
O
![Page 12: 57 DSQ 100 THERMO TR-...123 137 151 166 179 193 207 220 235 246 264 282 H O O (mainlib) Z,Z,Z-1,4,6,9-Nonadecatetraene 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 0 50](https://reader033.vdocuments.pub/reader033/viewer/2022060803/6087311362634b4324656a3c/html5/thumbnails/12.jpg)
(wiley9) 3-Penten-2-one, 4-methyl- (CAS)
10 20 30 40 50 60 70 80 90 100 1100
50
100
27
29
31
39
41
43
51
53
55
62 67 70 74 79
83
89 96
98
O
(wiley9) 4-Penten-2-one, 4-methyl- (CAS)
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 2200
50
100
15
18
27 39
43
55
65 71
8398
O
(wiley9) 2-Pentanone, 4-hydroxy-4-methyl- (CAS)
10 20 30 40 50 60 70 80 90 100 1100
50
100
15
17
2731 39
43
50 56
59
83
101
HO
O
![Page 13: 57 DSQ 100 THERMO TR-...123 137 151 166 179 193 207 220 235 246 264 282 H O O (mainlib) Z,Z,Z-1,4,6,9-Nonadecatetraene 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 0 50](https://reader033.vdocuments.pub/reader033/viewer/2022060803/6087311362634b4324656a3c/html5/thumbnails/13.jpg)
5. Хлорсодержащие соединения:
(wiley9) 2(3H)-Furanone, dihydro- (CAS)
40 80 120 160 200 240 280 320 360 400 440 480 520 5600
50
100
28
42
56
65
86
O
O
(wiley9) 1,3-Dioxolane, 2,2,4-trimethyl- (CAS)
10 20 30 40 50 60 70 80 90 100 1100
50
100
15
18
2731 39
43
4551
59
72 75 83 86
101
O
O
![Page 14: 57 DSQ 100 THERMO TR-...123 137 151 166 179 193 207 220 235 246 264 282 H O O (mainlib) Z,Z,Z-1,4,6,9-Nonadecatetraene 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 0 50](https://reader033.vdocuments.pub/reader033/viewer/2022060803/6087311362634b4324656a3c/html5/thumbnails/14.jpg)
6. Серосодержащие соединения:
(mainlib) Sulfurous acid, isobutyl pentyl ester
50 100 150 200 250 300 350 400 450 500 550 600 6500
50
100
29
43
57
71
87 123 153
O O
S
O
(wiley9) sec Butyl Chloride; 2-chlorobutane
50 100 150 200 250 300 350 400 450 500 550 6000
50
100
27
43
5677
Cl
(wiley9) isopentyl trichloroacetate
50 100 150 200 250 300 350 400 450 500 550 600 6500
50
10043
55
70
O
O
Cl
Cl
Cl
![Page 15: 57 DSQ 100 THERMO TR-...123 137 151 166 179 193 207 220 235 246 264 282 H O O (mainlib) Z,Z,Z-1,4,6,9-Nonadecatetraene 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 0 50](https://reader033.vdocuments.pub/reader033/viewer/2022060803/6087311362634b4324656a3c/html5/thumbnails/15.jpg)
7. Другие:
(mainlib) 1,6-Heptadien-3-yne, 5-methyl-
50 100 150 200 250 300 350 400 450 500 550 600 6500
50
100
15
39
51
65
78
91
106
(wiley9) 1-HEXEN-4-YNE, 3-ETHYLIDENE-2-METHYL-
40 80 120 160 200 240 280 320 360 400 440 480 520 5600
50
100
27
39
51
65
77
91
105
![Page 16: 57 DSQ 100 THERMO TR-...123 137 151 166 179 193 207 220 235 246 264 282 H O O (mainlib) Z,Z,Z-1,4,6,9-Nonadecatetraene 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 0 50](https://reader033.vdocuments.pub/reader033/viewer/2022060803/6087311362634b4324656a3c/html5/thumbnails/16.jpg)
(wiley9) 1,7-Octadiyne (CAS)
50 100 150 200 250 300 350 400 450 500 550 600 6500
50
100
27
39
65
78
91
105
(replib) 1,5-Heptadien-3-yne
50 100 150 200 250 300 350 400 450 500 550 600 6500
50
100
15
27
39
51
65
74
91
(wiley9) 1,2-Benzenedicarboxylic acid, dibutyl ester (CAS)
50 100 150 200 250 300 350 400 450 500 550 600 6500
50
100
5776 104
121
149
223278
O
O
O O
![Page 17: 57 DSQ 100 THERMO TR-...123 137 151 166 179 193 207 220 235 246 264 282 H O O (mainlib) Z,Z,Z-1,4,6,9-Nonadecatetraene 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 0 50](https://reader033.vdocuments.pub/reader033/viewer/2022060803/6087311362634b4324656a3c/html5/thumbnails/17.jpg)
(wiley9) 1,2-Benzenedicarboxylic acid, diethyl ester (CAS)
30 60 90 120 150 180 210 240 270 300 330 360 3900
50
100
41
52
57
76
93
105121
135
149
177
222
O O
O
O
(wiley9) Hexanedioic acid, bis(2-ethylhexyl) ester (CAS)
50 100 150 200 250 300 350 400 450 500 550 600 6500
50
100
18
41
57
70
83
112
129
147
O
O
O
O