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45
JOURNAL OF NEW MEDICAL TECHNOLOGIES, eEdition - 2018 - N 6
УДК: 61 DOI: 10.24411/2075-4094-2018-16285
ХРОМАТО-МАСС-СПЕКТРОМЕТРИЯ СПИРТОВОГО ЭКСТРАКТА ПОЧЕК БЕРЕЗЫ ПОВИСЛОЙ
(Betula pendula Roth)
В .В. ПЛАТОНОВ*, А.А. ХАДАРЦЕВ**, Г.Т. СУХИХ***, В.А.ДУНАЕВ**
ООО «Террапроминвест», ул. Перекопская, д.5б, Тула, 300045, Россия ФГБОУ ВПО «Тульский государственный университет», медицинский институт, ул. Болдина, д.128, Тула, 300028, Россия ФГБУ Национальный медицинский исследовательский центр акушерства, гинекологии и перинатологии им. В.И.Кулакова, ул. Опарина, д.4, Москва, 117513, Россия
Аннотация. Впервые выполнена хромато-масс-спектрометрия спиртового экстракта почек березы повислой (Betula pendula Roth). Идентифицировано 107 соединения, для каждого из них определено количественное содержание, рассчитан струтурно-групповой состав экстракта, получены масс-спектры и структурные формулы соединений. Проведена корреляция химического состава экстракта с направленностью физиологического действия препаратов на основе почек березы повислой.
Ключевые слова: хромато-масс-спектрометрия, почки березы повислой, структурные формулы.
CHROMATO-MASS SPECTROMETRY OF ALCOHOL EXTRACT OF Betula pendula Roth V.V. PLATONOV*, А.А. KHADARTSEV**, в.Т. SUKHIKH***, У.А. DUNAEV**
* Terraprominvest LLC, Perekopskaya St., 5b, Tula, 300045, Russia Tula State University, Medical Institute, Boldin Str., 128, Tula, 300012, Russia National Medical Research Center of Obstetrics, Gynecology and Perinatology named after V.I. Kulakov,
Oparin Str., 4, Moscow, 117513, Russia
Abstract. Chromato-mass spectrometry of alcoholic extract of birch buds (Betula pendula Roth) was performed for the first time. 107 compounds were identified, the quantitative content was determined for each of them, the structural group composition of the extract was calculated, the mass spectra and structural formulas of the compounds were obtained. The correlation of the chemical composition of the extract with the direction of the physiological effect of preparations based on Betula pendula Roth has been carried out.
Keywords: chromato-mass spectrometry, hung birch buds (Betula pendula Roth), structural formulas.
Введение. Согласно известным литературным данным [1-10] почки березы Betula pendula Roth содержат флавоноиды, в том числе 5-гидрокси-7,5-диметоксифлавон, 5.3% эфирного масла, в состав которого входит бициклический сесквитерпеновый спирт бетуленол.
Препараты на основе почек березы обладают диуретическим, желчегонным и антисептическим, общетонизирующим и болеутоляющим действием; эффективны при отеках почечного и сердечнососудистого происхождения. В народной медицине горячие ванны с использованием настойки из почек применяют при лечении острых и хронических экзем [1-10].
Цель исследования - с привлечением хромато-масс-спектрометрии расширить спектр соединений, определяющих особенности химического состава органического вещества почек березы повислой; получить подробную идентификацию качественного состава и количественного содержания соединений, а также установление их структуры, что весьма важно для объяснения физиологического действия препаратов.
Объект и методы исследования. Производитель исходного сырья (почки березы повислой) ООО Фирма «Здоровье» Россия.
Экстракция осуществлялась в аппарате Сосклета в присутствии этилового спирта с массовой долей 97,5%; массовое соотношение сырье: спирт 1:10. Процесс экстракции заканчивался при достижении постоянства показания коэффициента преломления раствора, равного исходному значению растворителя. Спирт отгонялся под вакуумом в роторном испарителе модели RE-52AA Rotary Evaporator. Остаток взвешивался и подвергался хромато-масс-спектрометрии. Условия анализа: хромато-масс-спектрометрия осуществлялась с использованием газового хроматографа GC-2010, соединенного с тройным квадру-польным масс-спектрометром GCMS-TQ-8030 под управлением программного обеспечения (ПО) GCMS Solution 4.11.
Идентификация и количественное определение содержания соединений проводились при следующих условиях хроматографирования: ввод пробы с делением потока (1:10), колонка ZB-5MS (30м*0.25 мм*0.25 мкм), температура инжектора 280°С, газ-носитель - гелий, скорость газа через колонку 29 мл/мин.
Регистрация аналитических сигналов проводилась при следующих параметрах масс-спектрометра: температура переходной линии и источника ионов 280 и 250°С, соответственно, электронная ионизация (ЭИ), диапазон регистрируемых масс от 50 до 500 Да.
Результаты и их обсуждение. Хроматограмма этанольного экстракта почек березы повислой приведена на рис. 1.
Рис. 1. Хроматограмма экстракта почек березы повислой
Перечень идентифицированных соединений и их количественное содержание (масс. % от экстракта) даны в табл.
Таблица
Идентификационные соединения, их количественное содержание
Reten- Area %
№ tion time Compound Name
1 6.563 0.02 Cyclopentene, 1-ethenyl-3-methylene-
2 7.849 0.03 Ethanamine, 2,2-diethoxy-
3 9.079 0.04 Ethanedione, di(2-pyrrolidinyl)-
4 9.719 0.01 2(5H)-Furanone, 5,5-dimethyl-
5 10.428 0.10 Ethyl(dimethyl) isopropoxysilane
6 11.660 0.07 Hexanoic acid
7 22.586 0.45 Benzofuran, 2,3-dihydro-
8 27.918 0.08 2-Methoxy-4-vinylphenol
9 29.495 0.03 .alpha.-Cubebene
10 30.802 0.12 Bicyclo[2.2.1]heptane-2,5-diol, 1,7,7-trimethyl-, (2-endo,5-exo)-
11 30.921 0.11 .alfa.-Copaene
12 32.845 0.21 Caryophyllene
13 33.269 0.05 Benzene, 4-methoxy-1-methyl-2-nitro-
14 33.698 0.89 1H-3a, 7-Methanoazulene, octahydro-1,4,9,9-tetramethyl-
15 33.937 0.10 1,2,3-Benzenetriol
Продолжение таблицы
16 34.235 0.38 4a,8a-Ethenonaphthalene, 1,2,3,4,5,8-hexahydro-
17 34.430 0.10 Bicyclo[2.2.1]heptane, 2-cyclopropylidene-1,7,7-trimethyl-
18 35.032 0.09 Naphthalene, 1,2,4a, 5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-
19 35.241 0.06 1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-, [S-(E,E)]-
20 36.519 0.12 .beta. -copaene
21 36.720 0.20 Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)-
22 37.526 0.04 .beta.-ylangene
23 39.635 0.61 Caryophyllene oxide
24 40.134 0.38 1-Propanone, 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-
25 41.142 0.57 Kauran-18-al, 17-(acetyloxy)-, (4.beta.)-
26 41.641 0.03 Cyclodecacyclotetradecene, 14,15-didehydro-1,4,5,8,9,10,11,12,13,16,17,18,19,20- tetradecahydro-
27 42.183 0.06 cis-Thujopsene
28 42.670 0.21 cis-p-mentha-1(7),8-dien-2-ol
29 42.989 3.83 Alloaromadendrene oxide-(1)
30 43.380 0.57 4,7,10,13,16,19-Docosahexaenoic acid, methyl ester, (all-Z)-
31 44.130 0.33 .alpha.-Cadinol
32 44.415 0.20 2-Methyl-4-(2,6,6-trimethylcyclohex-1-enyl)but-2-en-1-ol
33 44.704 2.05 cis-Z-.alpha.-Bisabolene epoxide
34 45.264 0.26 3. beta.,17.beta.-dihydroxyestr-4-ene
35 45.559 0.07 2-Isopropylidene-3-methylhexa-3,5-dienal
36 47.033 0.05 1,4-Methanocycloocta[d]pyridazine, 1,4,4a, 5,6,9,10,10a-octahydro-11,11-dimethyl-, (1 .alpha.,4.alpha.,4a.alpha. ,10a.alpha.)-
37 47.444 0.06 10,12-Tricosadiynoic acid, methyl ester
38 47.740 0.09 Naphthalene, 1,2,3,4,4a, 5,6,8a-octahydro-4a, 8-dimethyl-2-(1-methylethenyl)-, [2R-(2.alpha.,4a.alpha.,8a.beta.)]-
39 49.711 0.56 Cyclohexane, 1,2-diethenyl-4-(1-methylethylidene)-, cis-
40 50.258 0.09 7-Acetyl-2-hydroxy-2-methyl-5-isopropylbicyclo[4.3.0]nonane
41 51.207 0.89 10-12-Pentacosadiynoic acid
42 51.764 0.17 1,8-Cyclotetradecadiyne
43 52.072 0.84 9-Dodecyn-1-ol
44 52.715 0.55 geranyl-.alpha.-terpinene
45 53.913 7.12 Bicylo[4.1.0]heptane, 7-bicyclo[4.1.0]hept-7-ylidene-
46 54.419 0.82 cis-5,8,11,14,17-Eicosapentaenoic acid
47 55.715 0.63 6-(p-Tolyl)-2-methyl-2-heptenol, trans-
48 56.652 0.17 5-Hepten-3-yn-2-ol, 6-methyl-5-(1-methylethyl)-
49 57.236 0.61 Isoaromadendrene epoxide
50 57.848 0.19 Aromadendrene oxide-(2)
51 59.042 0.07 Thunbergol
52 60.279 0.36 Cycloheptane, 4-methylene-1-methyl-2-(2-methyl-1-propen-1-yl)-1-vinyl-
53 60.693 0.30 i-Propyl 7,10,13,16,19-docosapentaenoate
54 61.873 1.76 n-Propyl 5,8,11,14,17-eicosapentaenoate
55 63.226 0.04 10,12-Tricosadiynoic acid
56 63.861 0.30 Andrographolide
57 64.759 1.34 Pentadecanoic acid
58 65.658 1.02 Globulol
59 67.300 0.07 Butyl 4,7,10,13,16,19-docosahexaenoate
60 68.980 0.13 1-Heptatriacotanol
61 70.327 0.10 Heptadecane, 2,6,10,15-tetramethyl-
62 72.584 1.09 1,E-11,Z-13-Octadecatriene
63 72.945 1.60 9,12,15-Octadecatrienoic acid, (Z,Z,Z)-
64 73.490 0.21 Z,Z-6,13-Octadecadien-1-ol acetate
65 74.367 0.09 Octadecanoic acid
66 76.171 0.04 Sulfurous acid, dodecyl 2-propyl ester
Продолжение таблицы
67 83.168 0.08 n-Pentadecanol
68 84.192 1.01 Tetratetracontane
69 92.569 0.08 Heptadecane, 9-octyl-
70 93.203 0.10 Heptadecyl acetate
71 97.702 0.41 1-Heneicosanol
72 99.110 0.07 Bis(2-ethylhexyl) phthalate
73 99.948 0.06 9-Tricosene, (Z)-
74 101.411 0.11 2,6,10,14-Hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-, acetate, (E,E,E)-
75 102.230 0.28 Octacosane
76 102.629 0.08 Tricosyl acetate
77 105.343 3.62 5-Hydroxy-4',7-dimethoxyflavanone
78 106.163 7.59 2-methyloctacosane
79 109.737 8.35 Sakuranin
80 110.623 0.51 Heneicosane
81 110.820 0.27 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (E,E)-
82 111.210 0.19 1-Docosanol, acetate
83 112.573 0.17 Pentadecanal-
84 116.320 0.66 Hexacosane
85 117.458 4.00 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-
86 124.457 0.19 Octacosyl acetate
87 126.903 0.19 Oxirane, hexadecyl-
88 131.044 0.76 Benzoic acid, 2,4,6-trimethyl-, 2,4,6-trimethylphenyl ester
89 132.651 0.12 Tetracontane
90 135.300 0.59 (4,4-Dimethyl-2,4,5,6-tetrahydro-1H-inden-2-yl) acetic acid
91 136.146 0.27 Oct-5-en-2-ol, 8-(1,4,4a,5,6,7,8,8a-octahydro-2, 5, 5, 8a-tetramethylnaphth-1-yl)-6- methyl-
92 136.751 0.38 1H-Inden-1-one, 5-amino-2,3-dihydro-
93 139.478 0.53 9,19-Cyclolanost-23-ene-3,25-diol, (3.beta.,23E)-
94 145.703 0.29 .beta.-Guaiene
95 146.226 0.42 Octacosyl acetate
96 148.500 0.25 1-Cycloheptene, 1,4-dimethyl-3-(2-methyl-1-propene-1-yl)-4-vinyl-
97 149.887 2.29 2,6,6,9,2',6',6',9'-Octamethyl-[8,8']bi[tricyclo[5.4.0.0(2,9)]undecyl]
98 150.680 4.81 6.beta.Bicyclo[4.3.0]nonane, 5.beta.-iodomethyl-1.beta.-isopropenyl-4. alpha.,5.alpha.-dimethyl-,
99 155.643 8.01 4-(2,2-Dimethyl-6-methylenecyclohexylidene)-3-methylbutan-2-one
100 164.229 0.53 Lup-20(29)-ene-3,21-dione, 28-hydroxy-
101 173.292 0.37 9,19-Cycloergost-24(28)-en-3-ol, 4,14-dimethyl-, acetate, (3.beta.,4.alpha.,5.alpha.)-
102 175.229 2.33 5-(1-Isopropenyl-4,5-dimethylbicyclo[4.3.0]nonan-5-yl)-3-methyl-2-pentenol acetate
103 179.191 0.95 5.alpha.-Hydroxy-4.alpha.,8,10,11-tetramethyltricyclo[6.3.0.0(2,4)]undec-10-ene
104 186.187 4.65 2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-, [3S- [3.alpha.,6. alpha.(R*)]]-
105 193.984 8.48 Humulane-1,6-dien-3-ol
106 196.790 0.44 2,2-Dimethyl-3-(3,7,16,20-tetramethyl-heneicosa-3,7,11,15,19-pentaenyl)-oxirane
107 209.627 1.68 Betulin
Данные таблицы были использованы для расчета структурно-группового состава экстракта, согласно которого основу органического вещества почек березы повислой составляют (масс. % от экстракта): стероидные соединения (33,96); углеводороды (31.02); кетоны (13.09); эфиры (8.11); спирты (7.87); карбоновые кислоты (4.85); фенолы (0.18). В составе экстракта почек практически отсутствуют гликозиды.
Среди углеводородов отмечается значительное преобладание структур, содержащих от 1 до 6 двойных и 1,2-тройных связей, что также характерно и для карбоновых кислот, эфиров, образованных ими; гидрированных нафталинов, азуленов.
Основу стероидных соединений этанольного экстракта почек березы повислой составляют (масс. % от экстракта): Humulane-1,6-dien-3-ol (8.48); 5-Hydroxy-4',7-dimethoxyflavanone (3.62); ^^-а-
Bisabolene epoxide (2.05); Alloaromadendrene oxide-(l) - (3.83); Betulin (1.68); Sakuranin (8.35); Kauran-18-al, 17-(acetyloxy)-, (4.p) - (0.57); Globulol (1.02); Lup-20(29)-ene-3,21-dione, 28-hydroxy (0.53).
Масс-спектры и структурные формулы отдельных соединений экстракта почек березы повислой приведены на рис. 2.
1. Cyclopentene, l-ethenyI-3-methyIene-
41
50
52
_ _| 2S | 2S 31 | ,Э|£ | | | | 47 AS | | | * | ЕЁ
20 25 3D ЗЕ 4D 45 5D ЕЕ frnainlib) Cyclopentene. 1-ethenyl-Jínethylene-
65
63
60 65
74 76 ■ I I I
75
85 | 57 | S5 S5 50
S3 57 102
107 llOS
55 100 1 05 110 115 120
Name: Cyclopentene. 1-ethen^-3-rnetbvlene-o " L\ C^II'O
HW: 106 bad Mass 106.0782504 СА5Й: 61142-07-2 NISTtt 60552 ID«: 55551 DB: mi*
Ethanamine, 2,2-diethoxy-
5S
JZLl
Ijnainlib) Ethanamine. 2,2<fletho)cy-
Name: Bhanamlne. 2.2-diethoxy--onnul.j L^H^NJ2
WW: 133 Ezact Mass: mil D275CAS«: 645-36-3 MIST«: 75341 JDíL 16874 DB: mainlib
3. Ethcmedione, di(2-pyrro¡idiny¡)-
| 75 в; | S3 56 |
IBS i
20 30 40 50
ftnainlib) Bhanedione dl(2fi>Tralldln^)-
50 100 110 120 130 140 150 160 170
190 200 210
Name: Bhanedione. di(2-piyrralidinyl)-Г'тн il.=i' Г |q I
HW: 156 bag Masa: 156.121178 NI5TS: 151780 IDS: 3409S DB; mainlib
4. 2(5H)-Furanone, 5,5-dimethyl-
53
51 I RR
Д1
56 67
¡«ИИ . I
I 99
112 111113
2D 25 30 35 40 45 50 55
jrainlibl 2\5Hi hranone 5.5 dincth^
60 E5 70 75
90 55 100 105 110 115 120
Name: 2f5HyFuranone. 5,5dimethyl-Foimula CgHg02
WW: 112 faact Mass: 112.D524297CAS¿: 2D015-64-1 MISTS: 154373 IDtt 63620 DB. гпаНЬ
Ethvl(dimethvl) isopropoxvsilane
75
5.
100-
21
29 31
гН I, I
35 41 44
JUJxl
47
4&|д£ 51 53 55 571
65 S7 | 71 Y,
30 93 95
103
20
30
4D
50
60
70
90 100
120 130 140 150
(mainlib) Bhyl[dimeth^sopropoxy3ilane
Name: Ethylidimethylüsoprapoxysilane Foimula: -yH^J.E
MW: 146 bad Mass: 146 112692CAS^: 60592-S6-1 NISTfe 2735B3Ш441540 DB: mainlib
6. Hexcmoic acid id 6D
i 25 aeppko,
43
39 42 45 55 57
37 40 46 53 | |
74 |75
97 39
10 20
(mainlib) Hexanoic acid
Name: Hejanoic acid Fomnila: CgH 12O2
MW: 116 Exad Mass: 116.0337297 CAS#: 142-62-1 NISTi: 20326 IDS 2S423 DB: mainlib
7. Benzofuran, 2,3-dihydro-
toD
39
63 65
40 43 4,5. д]52 55 57 BO.TITI^ в8 71 74. ,V,79 31 33 35 87
ОД
S3 95 57 102™ 111
10 20 ímainllbt Benzofuran, 2,3-dihydro-
40
50
60
70
Name: Benzofuran, 2,3-dihydro-Fomiula: CgHgf1
MW: 120 bad Mass: 120 0575147 CASS 496-16-2 NISTS: 225752 ID«: 90507 DB: mainlib
2-Methoxy-4-vinylphenol
27 2б| 29
Л
55
62 61 I
65 66
81 36 , 92
10 20 30
(mainlib) 2-Meihoxy-4-vln^phenol
40 50 60 7:
Name 2-Methoxy-4-virvlphenol Formula: СдНцуЭ?
MW: 150 bad Mass. 150.06803 CASS: 773fr6H)NISTS 135956IDS: 107791 DB. mainlib
9. .alpha. -Cubebene
27 35
llr, llll
159
20 30
(rrainlib) a-Cubebene
40 50 60 70
90 100 110 120 130 140 150 1 60 170
150 200 210
Name: a-Cubebene Formula: С]5H24
MW: 2nui E»art Mass 204 1373CASS: 17699-14-B HISTS 7D221 IDS: 133142 DB: mainlib
10. Bicyclo[2.2.1]heptane-2,5-diol, 1,7,7-trimethyl-, (2-endo,5-exo)-
Щ-
71
72
57 105
III.. , II
125
I I I I I I ■ , , .lull
20 30 40 50 60 70
jnainlib) Bicyclo[22 1Jreptane-2,5diol. 1,7 71гrrf4hy-. (í' -.i:: r
90 100 110 120 130 140 150 160 170 1B0
Name: E*c',c1c[22 fútate 2,5ciol 1,7,7-trimethyl-, :'2!-endo,5exo}-FchttiuI: '-1 iH^L
MW: 170E»ad Mass: 170.13068 CASS: 1035941-3 NIST«: 187344 ID«: 3695 DB: mainlib
11. . alfa. -Copaene
53 65 65
iL_ ill
ll, llll
133 131 I
II illllill I, Iflnlilli_Ц.
30 40 5D 60 7D
(mainlib) .alfa .-Copaene
30 100 110 120 130 140 150 160 170 130 190 200 210
Name .alfa.-Copaene Formula: Ci^H^
MW: 204bactMan:2041878 N 1ST«: Ш0 ID«: 133204 DB: mainlib
12. CaryophvUene
S3
6S 79
103
u
10 2! 30 40 50 60 70 jnalnllb) Caryophyllene
90 100 110 120 130 140 150 160 170 180 190 2«) 210
Name Caryoph^lene
Formula С ■] 5H24
MW: 204 Exact Mass: 2D4.1873CASS: 37-44-5 NISI«: 291436 ID«: 60555 DB: mainlib
13. Benzene, 4-methoxy-1-methyl-2-nitro-
11 , | , 45
,111
In/.'..Ml
135 1137
10 2D 30 4D 50 60 70
(nalnlib) Benzene. 4-metho*y-1^neth^-2-fiitro-
90 100 110 120 130 140 150 160 170
Name: Benzene, 4-methoxy-1-methyl-2-niro-Fomiula: C3H9NO3
MW: 167 E/ad Mass: 167.058243CASS: 174S4-36-5 HISTff: 239331 ШЙ 124263 DB: mainlib
14. Ш-За, 7-Methanoazulene, octahvdro-1,4,9,9-tetramethvI-
75 51
107 55 105
i-JUL
145 aJ^
163 151
J,. 175175 I,,
20 30 4D 50 60 70 80 30 100 110 12D 130 140 150 160 170 130 ISO 200 210 220
mainlib) 1H-3a,7-Methanoazulene, octahydro-1,4,9,9letramethyl-
Name: 1 H-3a.7-Methannazulene. ociahydro-1,4.9.91etrameth^- A
Fornida: C15H26
ЫШ206 Erad Masa: 206.203451 CASS: 25491 -20-7 NISTS: 9378IDft 2682 DB, mainlib
15. 1,2,3-Benzenetriol
39 50
26, 2,S31 34 ,f fn .44 46
| | 56 5.5.
66 66
70 74 V
57
85 51 53 55 56
10 20
ftnainlib) 1.2.3-Benzeneiriol
50
Name: 1,2,3-Benzenetnol F¿imy!a: СбН^Сз
MW: 126 Erad Mass: 126.031654 CASS: 27^66-1 NISTS: 352473 IDS: 98183 DB: mainlib
16. 4a,8a-Ethenonaphthalene, 1,2,3,4,5,8-hexahydro-
51
itk
123
2D 30 4D 50 60
ftnainlib) 4a.8a-Bhenonaphthalene. 1.2.3.4.5, &+ie*ahydro-
50 100 110 120 130 140 150 160 170
Namei4a.&a-Bhenonaphthalene 1,2,3.4.5.3-bexahydro-Formula: L | 1
MW: 160 Exact Mass: 160.1252CASS: 24135-32-0 NISTS: 37091 IDS: 55394 DB: mainlib
17. Bicyclo[2.2.1Jheptane, 2-cyclopropylidene-l, 7,7-trimethyl-
165
V
71 7Й
117 ...... i
ill ill
I.. -1^1 ... I I ■
i: эо 40 so 60 7:
jnalnlib) Blcyclo[2.2.1fieptane 2-cycloprcpylldene-l.7.7-Írimethyl-
90 100 110 12: 130 140 15: 160 170 130
Name: Blcyclo[2.2.1 Jieptane, 2-cyclopropylldene-1 ,7,7íimethjí-Fonnula: С1 'iH
MW: 176 Exact Mass: 17615S501 NISTS 155457 IDS: 7251D DB: mainlib
18. Naphthalene, l,2,4a,5,6,8a-hexahvdro-4,7-dimethyl-l-(l-methylethyl)-
105
65
63 I {11I-1 75
115 121
llllllll, ....... In
133
147 ^..l.lll,
20 30 40 50 60 70 SO
{mainlib) Naphthalene, 1,2,4a,5,6,fe^exahydrc-4,7-dimeth^-1-(1^nethylethyl)-
90 1 DO 110 12D 130 140 150 160 170
190 200
Name Naphthalene. 1,2.4a.5.6.Sa-he>ahydro-4,7-dlrnethyl-l-{l-meth^eth^}-Fomiula: Ci^H?^
MW: 2D4 Exact~Mass 2D4.1373 CASK: 4S3-75-0 NISTt: 249539 IDS: 73360 DB: mainlib
19. 1,6-Cyclodecadiene, l-methyl-5-methylene-8-(l-methylethyl)-, [S-(E,E)]-
15
„J__
10 20 30 40 50 60 7:
Ijnalnllb) l.&Cyclodecadlene. l-methyl-5Tnethylene-&{l-methylethyl)-. ISOz.bil
.1, . .Ill
I , I
90 100 110 120 130 140 150 160 170 180 190 200 210
Name: 1,6-Cyclodecadlene, 1-methyl-5-methy1ene-8-l1-methylethyl>-, [ShE.E;]-~'jniijld
Mat 204 E/act Mass: 204.1878CAS?: 23986-74-5 HIST?: 221563Ш 133132 Щ: mainllb
20. .beta.-copaene
L^i
........Illl
147
1 11 11111 .1 ... I
168 '.j" 183 .
30 40 50 60 70
frnainlib) 3-copaene
90 lOO 110 120 130 140 15D 160 17D
190 200 210 220
Name: B-copaene Formula: Ci 5H24
M',V: 204 E<ari Mass: 204.1878 HIST?: 374189IDtt 133130 Db mainlib
21. Naphthalene, l,2,3,5,6,8a-hexahvdro-4,7-dimethyl-l-(l-methylethyl)-, (lS-cis)-
1 ¿i
27 39
45 JÍ
I 61 J_hUi
65 65 I 57 8-3- III 71 |
95 103 SS
I,., , ll
L ■......
147
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 21C jriainlib) Naphthalene, 1,2,3,5,8,Sa-hexahydro4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)-
Name: Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-{1-methylethyl)-, <1S-cis)- ,
Formula: C-15H24
22. .beta.-ylangene
67 65
57
I 63 Мм, ,
is
30 40 50 GO 70
{mainlib) Зуапдепе
50 100 110 120 130 140 150 160 170
100 200 210 22[]
Name: B^vlanqene Fonnula: Ci rLH 7,1
MW: 204 bad Mass: 204.1373 NISTS: 374151 Dg: 51034 DB: mainlib
23. CarvophvUene oxide
121
123
I 161
llllllllll , J I h, , l|l ll,
157 1S2 205
I, ,'j i I
20 30 40 50 60 70 30 90 1 DO 110 12D 130 140 150 160 170 130 190 200 210 220 23D
ftnalnllb) Caryoph^lene oxide
Name: Caryophvllene oxide л
Fomiula: C15H24O
MW: 223 Ехай Masa: 22D.13Z715CASS: 1139-30Í NISTS: 156329 IDS: 5923 DB: mainlib
24. 1-Propanone, 3-hvdroxv-1 -(4-hvdroxv-3-methoxvphenvl)-
IOQJ 151
65 63 i 67
103
2D 30 40 50 60 70 30 90 100 110 120 130 140 150 160 170 130 190 200 210
Jnainlib) 1-Propanone, 3+Tydroxy-1-{4-hydrQxy-3methQxyphenyl)-
Nanie: 1-Propanone. 3+ivdrosy-l-(4-hvdrosy-3-fnethosyphen^}- л
Fonnula t! |fil y j.j
MW: 196Ezaol Mass: 156.073555CASS: 2196-13-1 NISTS: 3701 IDS: 125503 DB: mainlib
25. Kauran-18-al, 17-(acetyloxy)-, (4.beta.)-
35 109 105
161
A
175 137
I.I.
243 2f 212 , .1.1......1.......II. .
317 304 I
30 40 50 60 70 30 90 100 110 120 130 140 150 1 60 170 ISO 190 200 210 220 230 240 250 260 270 230 290 300 310 320 330 340 350 360 (malnllb) Kauran-13-al, 17-(acetyloxy>-, [40У-
Name: Kauran-13-al. 17-|асеЫоху1-. (4СУ ~
Formula: C22H34O3
MW: 346 bad Mass: 346.250755 CAS?: 555D2-84-6 HIST? 27107 ID? 5636 DB:mainlb
26.
Cyclodecacyclotetr adecene, 14,15-didehydro-l ,4,5,8,9,10,11,12,13,16,17,18,19,20-tetradecahydro-
51
20 30 40 50 60 70
JUuL
"1 135
lbwil
lU-ull
211
225 235 253
256
-4-
90 1 00 110 1 20 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 30Q 310
jnainlib) Cyclodecacyclotetradecene. 14,15didehydro-1,4,5.8, Э, 10,11.12.13.16.17.18,15,2[>tetradecahydra-
Mame: Cyclodecacyclotetradecene, 14.15didehydro-1,4.5.8.9.10.11.12,13,16,17,18.19,20ietradecahydro-Formula: C22H32
MW' УОС M»o- TOC Г4С«- 1Л11Э-С1_'> MICT+f- 1ККЯ71 IHtt- ЧЛТТЛ HD m^inlik
27.
cis-Thujopsene
115
123 121
67 65
55 63
103
117
j-lil
131
ЛД
I, null
175 „Jo-
IO 20 30 40 50 60 70 jnainlib) ds-Thujopsene
90 1 00 110 12: 130 140 1 50 1 60 1 70 ISO 190 200 210
Name: ds-^iujopsene Formula: С15H24
MW: 204 Exad Mass: 204 1B73CAS?: 47040-6 NISTft 9253 ID?: S9573 DB: mainlib
28. cis-p-mentha-1 (7),8-dien-2-ol
44 5D |4в4а
56
57
55 63 .......
71
727
,87 £.5
56 57
133
117
xuL
30 40 50
(mainlib) cis-fKnentha-1 (7l,3-dlen-2-cl
Name: ds-p-mentha-1 (7),3dien-2-«l Formula: С1ЛН1ДО
MW: 152 bad Mass 152.120115 NISTS: 374163 IDS: 2735 DB: rnaHb
29. AUoaromadendrene oxide-(l)
27
25 35
65 67
51 57
45 -"'j-iJL-
105
137
121 115
jum
147 |145
ж
135 1B7|
к_L
JO.
23 30 40 50 60 73 30 50 100 110 123 130 140 150 160 170
(mainlib) ^loaromadendrene oxlde-(l) Name: AJIoaromadendrene oxide-{1) Formula: CirHtjQ
MW 523 Exact Mass: 220 132715 NISTS 156123 IDS: ЗБ54 DB: mainlib
30. 4,7,10,13,16,19-Docosahexaenoic acid, methvl ester, (all-Z)-
75
190 200 210 223 233
JwJU
I............
j, I,..!,,!,III....,,.Ж.,........27? 261 233 . 255 311
10 23 30 40 50 60 7D 30 90 100 110 120 130 1 40 1 50 160 170 180 190 200 210 220 230 240 250 260 270 230 250 300 310 323 330 343 35D jnainlib)4,7,10,13,16,19-Docosahexaenoic aod, methyl ester, t Z)
Name^4,7,10,13,16,19-Docosahexaenoic acid, methyl ester, (d\-Zy *
Formula C23H34O2
MW: 3-2 E/ad Mass 342 25583CASS: 25E6-507 NISTS 333233 IDS: 44576 DB mainlib
31. .alpha.-Cadinol
35 39
105 ив
l...1!?. II
iX
137 135| llllb
JÍUL
4D 50 GO 70 B0 90 100 110 120 130 14D 150 160 170 1 :;imii ill ) a-Cadinol Name: g-Cadinol Formula: C15H2$3
MW: 222 had Mass: 222.193365CAS?. 431-24-5 NISI?: 140990 ID?: 5797 DB: malnllb
32. 2-Methvl-4-(2,6,6-trimethylcvclohex-1 -envl)but-2-en-1 -ol
105
190 200 210 220 230
u
11
131
125
Il iillll
20 30 40 50 60 70
frnainllb) 2-Methyl-4{2.6.iHrimeth^cydohex-l-en^Jbut-2-«n-l -ol
Ц1Ц-1+
hill.I. . , .Il
4u
90 100 110 120 130 140 150 160 170 130 190 200 210 220
Name: 2-Meth>1-4-{2,6,6-tnmethvlcydohex-1 -enyllbut-2-en-1 -ol Formula: C14H24O
MW: 206 bad Mass: 203.132715CAS? 62924-17-3 NISTtt 192977 ID«: 70256 DB malnllb
33. cis-Z-.alpha.-Bisabolene epoxide
Oj
121
116 123 133
J4
131 137 147 151 15SlB3
11 I ■■■, I ■ I 11111 .,-■■, 1. 111 ,1 ..,-■-■ I..........
|, 191 197
40 50 60 70 SO 90 100 110 12D 130 140 150 160 17D 130 190 200 210 22D 230
(mainlib) cis-Z-a-Bsabolene epoxide
Name: ols-Z-a-Bisabolene epoxide A
Formula: С- 5H24O
MW: 22" bad Mass: 220.132715 HIST?: 131712 ID?: 6023 DB: majAj
34. 3.beta.,17.beta.-dihydroxyestr-4-ene
JOURNAL OF NEW MEDICAL TECHNOLOGIES, eEdition - 2018 - N 6
53 55
jW
155 1
162
|l|l|l,,l|l|l|l|.,.,.,l
III,.....I
214
U? ц
30 40 50 60 70 SO 90 100 110 120 130 140 150 160 170 1S0 190 200 210 220 230 240 250 260 270 280 250 (mainlib) J] 7p-dihydroxyestr-4-ene
Name: 3C.17BHdihydroxyestr-4-ene a
-cimu.j C^gHgg'Jj
MW: 27E E/act Mass: 276.208531 CAS?: 19793-20-5 HISTS: 379910 IDS: 54791 DB: mainlib
3 5. 2-Isopropylidene-3-methylhexa-3,5-dienal
51
43
Иг..
50
451
63
57 60 62 I I . * I I I I
65
107 105
S3 52
lay!
2 : 30 40
jnainlib)2-lsopropylidene-3-rnethylhexa-3.&iJienal
Name: 2-lsoprop>1idene-3-meth^hexa-3,5ilienal Formula: СюНцО
H'.V 150 Exact Mass: 150.1044655 HIST?. 191765IQtt 56171 DEL malnllb
36.
1,4-Methanocycloocta[d]pyridazine, 1,4,4a, 5,6,9,10,10a-octahydro-11,11-dimethyl-
( 1. alpha., 4. alpha., 4a. alpha., 10a. alpha. ) -
107
3,7 103
30 40 50 60 7: SO 90 100 110
jnainlib) 1,4-Methanocyclcocta[dfci^idazine, 1,4,43,5,6,5,1 Q,1[la-octahydic-11,11-dimethyl-, [1c,4G,4ac,1 OaaV
120 130 140 150 160 170 130 190 200 210
Name: 1,4-Methanocydoocta [djiyridazine. 1.-.4a.5. G.3.10.10a-octahydra-11.11-dimethyl-. (1a.4a.4aa.10ao}-Fomnila: C13H20H2
MW: 204 Exact Mass: 204.162643 NISTffi 221859 IDS: 75592 DB: malnllb
37. 10,12-Tricosadiynoic acid, methyl ester
25
15 j] 33 10 20 30 40 50 SO 70
(mainlib) 10.12-Tricosadynoic acid, methyl ester
55
74
175 157 204 ям I |||...........|j........,||..... 5* Щ, Jff 2Л 2B5 255 311 31S t,
90 100 110 120 130 140 150 160 170
190 200 210 220 23D 240 250 260 27D 230 290 300 310 320 330 340 35D 360 370
Name 10,12-Tricosadi>noic acid, meth',r ester Formula C24H4QO2
MW: 36D Exact Mass 360.30233 NISTS: 333594 IDS 56023 DB: mainlib
38.
Naphthalene, 1,2,3,4,4a, 5,6,8a-octahydro-4a, 8-dimethyl-2-(1-methylethenyl)-, [2R-(2. alpha., 4a. alpha., 8 a. be ta.)]-
51
JLA
117
147 145
2D 30 40 50 60 70 30 90 100 110 120 1 30 140 150 1 60 170 1 80 190 200 210 22D (mainlib) Naphthalene, 1,2,3,4,4a,5,6,Sa-octahydrc-4a,3dimeth^-2-(1^neth>1ethen^}-, [2F-ucr 4aa£gyt
Name Naphthalene. 1,2.3.4.4a 56 3aKjdahvdro-4a,3dimeth%l-2-/1-meth^ethenvl)-. (2FU2g,4ag,3aS)l- ~
Formula C15H24
MW: 204 Exact Mass: 2D4.1373CASS: 473-13-2 NISTS: 69435 IDS 155553IE: mainlib
39. Cyclohexane, l,2-diethenyl-4-(l-methylethylidene)-, cis-
107 105
lirf.Jl
да
131
LMIhll
147 135 145
2D 30 -3 50 60
{mainlib) Cyclohexane, 1,2^Jiethen>i-4-(1 -meth^ethylidene)-, cls-
140
Name: Cydohstane. 1,2-dietheryl-4-{l4nethyleth^idene}-, cis-Formula: Cl 3^20
MW: 176 Exad Mass: 176.156501 CASS. 34523-55-5 NISTS: 60715 IDS: 44554 DB: m¡»A
40.
7-Acetyl-2-hydroxy-2-methyl-5-isopropylbicyclo[4.3.0]nonane
II i
40 50 60 70 SO 90 100 110 120 130 140 150 160 170 130 190 200 210 220 230 240 250
{nainllb)7-Acety-2-lTydro)<y-2-rriethyl-5H5opropylblcydo[4.3.Dfrionane
Name 7-Acetyl-2-hydraxy-2-meth^-5isoprap^blcyclo[4.3.[)^ionane л
Formula: C15H26O2
MW: 236 EzadMass: 233.19323 CASS: 5609M1-1 HISTS: 101134IDS 11394 DB: malnlib
41. 10-12-Pentacosadiynoic acid
40 50 60 70 SO 90 1DD 110 12D 130 140 150 160 170 130 190 200 21D 220 230 24D 250 260 270 2S0 290 300 310 32D 33D 340 350 360 37D 330 jnainllb) 10-12-Pentacosadlynolc add
Name 10-12-Perrtacosadiynolc add л
Formula C25H42O2
MW 374 Exad Mass: 374.3134S1 CASS: 66990-32-7 HISTS: 254265 IDS: 9617 DB: malnlib
42. 1,8-Cyclotetradecadiyne
4 41 S1
143 r-u-LL
173 133
■ I.......Ij. ,
20 30405060703090
(mainllb) 1 S-Cyclotetradecadiyne
100 110 120 130 140 150 160 170 130 190 Ж
Name: 1,3Cydotetradecadiyne Formula: СцНтр
MW: 133 faad'Mass: 133 156501 CASS: 154080-3 HISTS: 155330IDS 53603 DELmainlib
43. 9-Dodecyn-1-ol
43 11 45
71
105 107
ll.....l.ll
121 135
20 30 40 50 GO 70 BO 90
Cnainlib) 9-Dodec>n-1-ol
100 110 120 130 140 150 160 170 1SC 190
Name: 9-Dodecyn-1-ol Formula: C]yh'f/J
HW: 1S2 Exact Mass: 1B2 167066 CASS 71034-03-7 NISTS: 376712 IDS 30727 №. mijb
44. geranvl-. alpha, -terpinene
67 65
illllllln, Jill
lln,Mil
I 166 1P 163
I........I
30 40 50 60 70 30 90 100 110 120 130 140 150 160 170
fralnllb) geran^-aieipinene
190 200 210 220 230 240 250 260 270 2B0
Name: geranyl-a^erplnene Fomiula: C20H32
MW: 272 ¿за Haas: 272.2504 NISTS: 374188 IDS: 33031 DE: mainlib
45. Bicvlo[4.1.OJheptane, 7-bicvclo[4.1.0]hept-7-vlidene-
51
lL_I
.....ll
-L_Li
173 IBS
20 30 40 50 60
frnainlib) Bicylo[4.1.Diieptane. ~bc,'do[¿ I DJic:t 7yidcnc
70 80 90 100 110 120 130 140 150 160 170
190 200
Name: Bic^o[-.1.0|ieptane 7^)lcyclo[4.1.D]hept-7Jylidene-Fonmila: Ci ,H
HW: 1SB Exad Mass: 133.156501 NISTS 152399 IDS: 5G621 DB mainlib
46. cis-5,8,11,14,17-Eicosapentaenoic acid
25
. .I.I?.1
41 55
« 53 51
55 97
lllllllll
155
Jllll...............
175
ДЬ|
167153 206 215
233 241 246 255 261 27} 230 252 302
10 23 30 40 E3 GO 70 80 50 100 110 120 130 140 150 160 170 130 190 200 210 223 233 243 250 2G0 273 230 290 300 310 mainlib) cis-5.3.11.14,17-Bcosaperrtaenoic add
Name: cis-5,8,111-,17-Ecosapentaenoic acid л
Formula C20H30O2
MW 332 Brad Mass: 332.22453 CASS: 13417-544 NISTS 333525 IDS. 44570 DELmainllb
47. 6-(p-Tolyl)-2-methyl-2-heptenol, trcms-
51 i 57 .lililí,
65
III, I, ,75
Дли
125
ли
20D
40 50 60 73
jnalnlib) 6fc lonjH2 mcilr.l 2-cpt.jnc. trans-
190 200 210 223
Name: 6-p-Toy}-2-methyl-2-heptenol, trans-Fonnula: C1 t;H??0
MW: 213 E»ad Mass: 2131S70G6CASS 39599-18-3 HISTS: 141052IDS S959GЩ: mainllb
J-U-
48. 5-Hepten-3-vn-2-ol, 6-methvl-5-( 1 -methylethyl)-
\ —
—Ц-Ш-
1116,0, ill I
J-Lu
UU
tUj
aiu.
2 3 30 40 50 60
mainllb) 5-Hepten-3yn-2-ol. &-methyl-5{l-rneth^eth^)-
Name: 5-Hepten-3-yn-2-ol, 6-meth^-5{1^nethylethyl)-Formula: С^H-
MW 166 Ejad Mass: 1G6.135765 CASS: 6392241-8 NISTS: 137730 IDS 124914 DB mainlib
49. Isoaromadendrene epoxide
2S 35
ü_Jl
57 65
дШ
20 30 40 50 60 70
Ijnainllb) Isoaromadendrene epoxide
107 105
121 123
13
125 I
llllMlJ
50 100 110 120 130 140 150 160 170
177
4jL
¿U5 |U
^-L
кь_л
ISO 200 210 220 230
Name: Isoaromadendrene epoxide Fomnula: C-|5H24O
MW: 220 bad Mass: 220 182715 NISTS: 15S366 ID«: 2203 DE: mшЛ
50. Aromadendrene oxide-(2)
43 53
67 65
iU
121
123
147 145
HUJi
163
175
137
JV
205
JL
2D 30 40 50 60 70
frnalnllbi Aromadendrene oxide-{2l
50 100 110 120 130 140 150 160 170 130 190 200 21D 22D 230
Name: Aromadendrene oxide-{2) Formula: С5H24O
MW: 220 Exad Mass: 220.1B2715 HIST?: 151936 IDS: 2711 DB:mainlib
51. Thunbergol
55 T
I.I, , ■IL
JU
Li—U-
30 40 50 60 70 SO 90 100 110 120 130 140 150 160 170 130 190 200 210 220 230 240 250 260 270 280 250 300 (mainllb) Thunbergol
Name Thunbergol л
Formula C20H34O
MW: 250 Exad Mass: 250.260565 CASS: 25265-17-4 MISTS: 109347 IDS: 8572 DB: mainlib
52. Cycloheptane, 4-methylene-1-methyl-2-(2-methyl-1-propen-1-yl)-1-vinyl-
LJl
115 121
117
JUk.
145 uu±i_
2Í 30 40 50 60 70 jnainlib) Cydoheptane, 4-те1И^епе-1^пе1Ь>1-2-[2-те1Иу1-1-ргореп-1^у|И-у|пу|-
Name: Cvcloheptane. 4-meth^lene-1-methyl-2-{2-methyl-1^)rapen-1^)-1-vinid-I mil i-la [J |5 21
MW: 204 Exact Mass: 204.1B7B NISTS: 159335 IDS: 755B9 DB: mainlib
53.
i-Propyl 7,10,13,16,19-docosapentaenoate
1D5 103
154 ,
I? 153
HilJlll.....I|lllli.l,lil.ill|lilllii
207
JuU
221 li.lj.....
247
i. I|ii.
261 jaW-
375 263 290 303 313 325
50 60 70 30 90 100 110 120 130 140 150 160 170 130 190 200 21D 22D 230 240 250 26D 27D 230 250 300 310 Э20 330 340 350 360 370 330
ftnainllb) -Pitifiy 7.10,13.16.19docosapentaenoate Name: ¡-Propyl 7,10,13,16,15<Jocosapertaenpate Fomrula: C25H40O2
WW: 372 Exact Masa: 37230233 NISTS: 336772ЩЙ; 44566 DB: mainlib
54.
n-Propyl 5,8,11,14,17-eicosapentaenoate
Ж
1Ё? 157 ^Т
Jj ^ 225 235241 248 255261 267 ^ 257
JjJu
50 60 70
90 100 110 120 130 140 150 160 170 130 190 200 210 220 230 240 25D 260 270 230 290 300 310 320 330 340 350
tnamlib) n-Propyl 5,8,11,14,17-eicosapentaenoate
Name: n-Propyl 5.8.11,14.17-eiccsapentaenoate Formula: Г231136'"2
MW: 344 Exact Mass: 344.27153 NI5TS: Э36740IDffi 44563 DB: mainlib
55.
10,12-Tricosadiynoic acid
67 75
57 60
■-lll-l III — I- I........,1.1
245 261 275 239 ш }1s ^
40 50 60 7; BO 90 100 110 120 130 140 150 160 170 130 190 200 210 22:0 233 2¡t3 250 260 2 70 230 290 300 310 323 330 340 3E3 360 mainllb) 10.12-Tricosadlynoic acid
Name: 13,12-Tricosadiynoic acid л
Fomiula: С23Н3ЯР2
MW 346 Exact Mass: 346 23713CASS: 6S990-30-5 NISTS: 211673 IDS: 9656 DB: makA
56. Andrographolide
111
xLJUl
302
30 40 50 60 73 30 93 100 110 120 130 140 150 160 170 130 190 200 210 223 230 2^3 250 260 273 230 290 300 310 323 330 340 353 360 (mainllb) Andrographolide
Name Andrographolide л
Formula C20H30O5
MW: 350 Exact Mass 350 205324 CASS: 5503-53-7 NISTS: 301124 ¡DS 53593 DB: mainlib
57. Pentadecanoic acid
OH
45
I 47 51
31 jjll
125
^Lo.
157 171 .147 1 54 1 63
213
O.
10 20 30 40 50 60 70 30 90 100 110 123 130 140 150 160 170 130 190 200 210 223 230 2¿3 250
jnainlib) Pentadecanoic acid
Name: Pentadecanoic acid л
Fomiula: C1 г^НзгЮ?
MW: 2-2 Exact Mass: 242.22453CASS 1332-34-2 NISTS 352553 IDS 36933 DB: mainlib
58. Globulol
п.. ,ii
69 67
57 65
|l|l, и||
107 105
122 125
|l.....I|
и,. ■. II111 ■ ■. -"Шн
147 145
165
Ш!-,
175
207 222
2D 30 40 50 60 7D 80 90 100 110 12D 130 140 1 50 160 1 73 130 190 200 210 22D 23D (mainllb) Globulol
Name: Globulol л
Formula: Ci ^НмО
MW: 111 bad Mass: 222.133365 CASS: El 371-47-2 MISTS 150050 ¡DS: 5359 DEL mainllb
59. Butyl 4,7,10,13,16,19-docosahexaenoate
J| I, 223 „, 241243
l|lllll,,,ilill...........
231 I i 255 262 275 301 311 327
.......lift'.......Ii , .ill
il,l| ■ .111. .11 i i 111 i
50 60 70 SO 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 380 390 ^nainlib) Butyl 4,7,10,13.16.19-docosahexaenoate Name: Butyl 4,7,10,13,16,19-docosahexaenoate Fotmula: C26H40O2
MW: 384 Exact Mass: 384.30283 NISTtt 336803 IDU: 44567 DB: mainlib
60. 1 -Heptatriacotanol
201 ?1, 229 257 212
Í» 239
mi.....ii........ iii....................i,.,,!.....as............i,........|i.
40 60 30 100 120 140 160 130 200 22D 24D 260 230 300 320 340 360 330 400 42D 440 460 430 500 520 540
{mainlib) 1-Heptatriacotanol
Name: THeptatriacotanol Foimula: C37H76O
MW: 536 Exad Mass: 536 53962CASS: 105794-5S-9 NISTS: 127963 IDS: 6904 DB: mainlib
61. Heptadecane, 2,6,10,15-tetramethyl-
95 97
127 141 115 J, |
169 156 211 224 236 252 266 23D
4D 50 60 70 30 90 100 110 120 130 1 40 1 50 1 60 170 (mainlib) Heptadecane, 2,6,10l15tetramethyl-
190 200 210 22D 23D 240 250 260 270 230 290 300 310
Name: Heptadecane, 2,6,10.151etramethyl-Fomiula: C21H44
MYV: 296 bad Mass: 296 344301 CASS 5433343-6 MISTS: 14103IDS: 23564 DB.mainlib
62. l,E-ll,Z-13-Octadecatriene
43
45 51
57 65
O.
135
_Liu.
147 ■ 1.1,
20 30 40 50 60 70
|тлпт| l.E-1 l.Z-130dadecatriene
90 100 110 120 130 140 1 50 1 60 170
190 200 210 220 230 240 250 260
Name 1, E-11 ,Z-130dadecatriene Formula: С1ЯН33
Ш: 246 Exad Mass: 2432504015 CASS: B062M6-1 NISTS: 9S066 IDS: 29739 DB: mainlib
63. 9,12,15-Octadecatrienoic acid, (Z,Z,Z)-
145 222
..^...ШДТр,!1^!1.^.,^.3!?^.2!/..!.!. 231 237 249 261.
10 23 30 40 50 60 70 jnainlib) 9.12.150dadecatrienoic acid. (Z.Z.Z)-
50 100 110 120 130 140 150 160 1 70
190 200 210 220 230 2^0 250 260 2 70 230 250
Hame: 5,12,150dadecatnenolc acid, |Z,Z,Z;-Formula: С-|дНзд02
[Ml273 БЙсГиаа: 273.2245B CASS: 4Б340-1 HISTS: 333201 IDS: 44302 DB: mainlib
64.
Z,Z-6,13-Octadecadien-1-ol acetate
177 151 205 215 225 237 246 265
40 50 60 70 60 50 100 110 120 130 140 150 160 170 130 150 200 210 220 230 2¿3 250 260 27D 230 250 300 310 323
ftnainlibiZ.Z-6.130dadecadien-1-ol acetate Name: Z,Z F. 12 Jetjdcojdiin I : acetate Formula С20Н36Э2
MW 303 Ejad Mass: 303.27153 NISTS: 131070 IDS 6373 DB mainllb
65. Octadecanoic acid
^ 135 I
213
13D J 205
227
255
246 265
10 20 30 40 50 60 70 30 90 1 00 110 120 130 140 150 160 170 130 190 200 210 220 23D 240 250 260 27D 230 290 300 mainlib Odadecanoic add
Name: Odadecanoic acid л
F'-'irii'-l =i
MW:284E*ad Mass: 234 217153 CASS: S7-114 NISTS: 290961 IDS: 3691 DBmalnlib
66. Sulfurons acid, dodecvl 2-propyl ester
113
|J ^ 140
20 30 4D 50 60 70 30 90 100 110 120 130 140 150 160 170
ftnainlib) Sufurous add, dodecyl 2-propyl ester
190 200 210 220 230 24D 250 260 27D 230 290 300
Name: Sulfurous add. dodecyl 2-fjrapyl ester Formula: [ 13^ 3S
MW: 252 badMass: 252.207216 NISTS: 309123 IDS 7405 DB: mainlib
67. n-Pentadecanol
73 79
I. 163
10 20 30 40 50 60 70 SO 00 100 110 120 130 140 150 160 170 130 190 200 210 222 230 240
(mainlib) n-Pentadecanol
Name: n-Pertadecanol л
Formula: С15Н3ЭО
MW 520 Exact Mass: 223 245316CASS: 629-76-5 NISTS 351791 IDS: 47570 DB: mainlib
68.
Tetratetracontane
JLAJl
..,.!, .......1ТД A- А 2^2Л 2t1 Ч-У ^ ffi W У,5 f№ 4-r W.V 4W 5" 5-|- 5гч 5r' 5r-5 ... 6!,S
20 40 60 30 100 120 14D 160 130 200 220 240 260 2B0 ЗОО 320 340 360 360 400 420 440 460 430 500 520 540 560 5S0 600 620
:mainlib Tetratetraccrrtane
Name: Tetratetracodane Formula: C^Hoft
MW: 61 £ Bad Mags: 613.704254 CASS: 7093-22-3 NISTS: 154925 IDS: 235S7 DB,mainlib
69. Heptadecane, 9-octyl-
I 141 155 II
l|K.,.,.,i,l,.,.,. .,.J,. ..,.,,! . ^137 .210 223 || 251, 265 230 294 303 323
30 40 50 60 70 30 90 100 110 120 130 140 150 160 170 130 190 200 210 220 230 240 250 260 270 230 290 300 310 320 330 340 350 360 mainlib) Heptadecane, 9oct^-Name: Heptadecane, 9fldyl-Fomiula Г JI-,.
MW 255 Egad Mass: 352.4DE902CASS: 7225-Б4-1 NISTS 15951 IDS: 22572 DB mainlib
70. Heptadecyl acetate
55 57
73
iU?l
w4
US ,
J.....ill.,
I^4 163 1BD 154
226 236
10 23 30 40 50 60 7; 3D 90 100 110 120 130 140 150 160 170 130 190 200 210 22D 23D 24D 250 260 2 73 230 290 333 310 (mainlib) Heptadecyl acetate
Name: Heptadecyl acetate A
Formula C19H33D2
MW 293 Egad Mass: 293.2371 8 CASS: B22-208 NISTS: 351774 IDS 7005 DEL mainlib
71. 1-Heneicosanol
55 57
135 1
167 182 154 210 222 236 253 266
13 2D 30 40 50 60 70 30 90 100 113 12D 130 140 150 160 170 130 150 200 210 22D 23D 24D 250 26D 273 230 290 300 310 323 Jnainllb) 1-Heneicosanol
Name 1-Heneicosanol л
Formula C21H44O
M'.V 312 Brad Mass: 312.339216 CASS: 15594-90-3 NISTS: 351742IDS 13669 DELг™*Л
72. Bis(2-ethvlhexvl) phthalate
145
£3
'В I, 53
10 2D 30 40 50 60 70 80 50 100 110 120 130 140 150 160 170 130 150 200 213 22D 23D 240 250 260 273 230 290 300 310 32D 330 343 350 360 370 330 350 400
mainlib) Bis (2-ithylhex^) phthalate
Name: Bis(2-ethylhexyl) phthalate л
Formula: C24H3BO4
MW: 35D Exad Mass: 390.27701 CASS: 117-31-7 NISTS: 229113 IDS: 122S67 DB: mainlib
73. 9-Tricosene, (Z)-
153
liL
20 30 40 SO 60 70
mainlib) 9-Tricosene (Z)-
00 100 110 120 130 140 150 160 170 180 100 200 210 220 230 240 250 260 270 280 290 300 310 320 330
Name 9-Tricosene, |Z;-Fomiula Г
MW: 322 Едас! Mass: 222.359951 CASS: 2751902-4 NISTS: 292019 JDS: 19760 DB: mainlib
74. 2,6,10,14-Hexadecatetraen-l-ol, 3,7,11,15-tetramethyl-, acetate, (E,E,E)-
55 5з|
189
1,208-215 243 250
272
20 30 4D 50 60 70 80 90 100 110 120 130 140 150 160 170
frnainlib) 2,6,10,14-Heiadecatetraen-1-d 3,7,11,15letramethyl-, acetate. (E.E.E)-
190 200 210 220 230 240 250 260 27D 280 290 300 310 320 330 340
Namei2.6.10.1--Hexadecatetraen-l-ol. 3.7.11.151etrameth^-. acetate, il I : > Fcmnula: C22H36P2
MW: 322 Бай" Mass: 332.27153CASS: 61591 -98-3 NISTS: 160947 IDS: 32436 DB: mainlib
75.
Octacosane
43 71
141 155
X
T :г T T T T T Y T T у у у ?
23 30 40 50 60 70 80 90 100 110 120 1ЭО 140 150 160 170 180 190 200 210 220 230 2i2 250 260 270 280 290 300 310 32 0 330 340 350 360 370 380 390 400 410 {mainlib) Octacosane
Name: Octacosane л
Fcmnula: CtoHrii
MW: 394 Exad Mass: 394 453B52 CASS: 630-02-4 NISTS: 225447 IDS 22545 DB: mainlib
76.
Tricosyl acetate
153
1.n? 154 236 222 236 250 264 276
10 2D 30 40 'mainlib) Trieos^ acetate
DO 110 120 130 140 150 160 170 ISO 190 200 21D 22D 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 380 390
Name: Tricosyl acetate Formula:
MW: 382 Exact Mass: 382.38108 NISTS: 351773 IDS: 7540 DB: mainlib
77.
134
5-Hvdroxv-47-dimethoxvflavanone
65 65 77
161
243 257 272
■
I ... i ll.l
60 70 80 90 100 110 120 130 14D 150 160 170 130 190 200 210 220 230 2¿3 250 260 2 73 230 290 3DD 310
/nainlib) 5-Hydraxy-4\7-dirnethoxyflavanone
Name: 5-Hydroxy-4'.7-dimeihoxyfla\ranone Fornida: Г" /Н
MW: 300 Esad Mass: 300 099773CASS 69D57-56-7 NISTS: 3D259 IDS: 105791 DB: mainlib
78. 2-methyloctacoscme
"1 155
■ ■J. . J, .
133 157 211 225 23S 253 267 261 255 305
365 . ,l, .
2D 30 40 50 60 70 30 90 100 110 12D 130 140 150 160 170 180 190 200 21D 22D 23D 24D 250 260 27D 230 290 300 310 320 330 34D 350 360 370 330 390 400 410 42D
ftnainlib) 2-methylodacosane
Name 2-methylodacosane Formula: CpqH^fl
MW: 4D8 Exad Mass: 403469501 NISTS: 376723 IDS: 23536 DB m¡Mb
79. Sakuranin
« 57
мШЬ
il lllll| ill.,!......Ill,I
243 258 263
.деа; 225 ^ ......1 j I
он
™ 3DS 328 340
40 50 60 7D 80 SO 100 110 120 130 140 150 160 170 130 190 200 210 220 230 240 250 260 270 230 290 300 310 323 330 340 350 360 37D 380 390 400 410 420 430 440 450 460
ftnainlib) Sakuranin
Name: Sakuranln л
Formula: C22H24O10
MW: 44Ё E/ad Mass: ¿43.136948 CASS: 529-39-5 HISTS: 128173 IDS: 194809 DB: mainlib
80.
Heneicosane
.14 . У
55 57
1f 183 157 211 225
|l, . -|l, . 11. . 11. . ,l, . .I,
235 253 267
10 20 30 4D 50 60 70 30 90 100 110 120 130 140 150 160 170 130 190 200 210 22D 230 24D 250 260 27D 230 290 300 310
frrrainlib) Heneicosane
Name: Hendcosane л
Formula: С21H44
MW: 235 Egad Mass: 2963443D1 CASS: Б25-54-7 NISTS: 230947 IDS:236D7 DB mainlib
81. 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (E,E)-
25
Skl
55 у
I 57 65 I
5> 107
™ ,75
153 2D4 213 215 225 235 244
23 30 40 50 60 73 BD 5B 100 110 120 130 140 150 160 170 130 150 200 210 223 230 240 250 263 270 230 frnalnllb) 5.5.13-Pentadecatrien-2-one. 6,10.l+trimethjT, (E.E}-
Name: 55,13-Pertadeoatrien-2-one, 6,1 D 11-:rime:h,1- E.E;- л
Formula: C13H30CJ
MW: 262 had Mass: 262.225666CASS. 1117-52-B HISTS: 156075IDS 3040¡Ж mainlib
82.
1-Docosanol, acetate
*V
167 161 1S6 2DB 222 236 250 264
10 2D 30 40 50 60 70 ijnainllb) 1-Docosanol. acetate
00 100 110 120 130 140 150 160 170 130 190 200 210 22D 230 24D 250 260 270 230 200 300 310 320 330 340 35D 360 370 330
Name: 1-Docosanol, acetate Foimula: C24H43O2
MW: 363 bad Mass: 36336543CASS: 622-264 NISTS. 351770 ID«: 7546 DB: marib
83. Pentadecanal-
i......lili.
152 ,llil.
193 198 2D8 226
20 30 40 50 60 70 30 90 100 110 120 130 140 150 160 170
frtainlib) Pentadecanal-Name: Pentadecanal-Formula: [ 1^
MW: 22£ bad Mass: 226.229666 CASS: 2765-11 -9 HIST«: 376693 IDS: 46614 DB: mainlib
190 200 210 220 230 240
84. Hexacosane
141 155
I I 1f If 211 225 239 253 2B7 261
! Л , . II.
„II.......11.......1
I m if 253 267 261 295 3D9 „,
I, .I. I J,. , ,1 J, , J,.. ,i, ,
20 30 40 50 60 70 30 90 100 110 120 130 140 150 160 170 130 190 200 210 22D 230 24D 250 260 27D 230 290 300 310 320 330 340 350 360 370 330
tnafA) Hexacosane Name Hexacosane Formula: C^fjH^
MW: 366 bad Mass: 366.422552CASS: 63001-3 HISTS: 231554IDS 23633 DB: mainlib
85. 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-
40 5 3 60 73 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 232 222 253 260 273 280 290 300 310 (mainlib) 4Н-TBenzopyran-4-one. 2 hydroxy 7 rrdhoxy 2 (4 тс:Иохурисгт,г)
Name: 4Н-1-Вепгорртап-4опе, 5+rydroxy-7-methoxy-2^4-methioxyphenyl)- а
Formula: С17Н14О5
MW: 298 Exad Mass: 298.0S4124 CASS: 512&44-9 NISTS: 125906IDS 197425 DB: mainlib
86. Octacosvl acetate
125
167
l'ilii Jiii ill', 1|iii .1пч, 2ir, 222 . 2S, 2rP 2". 2;f 2S î2f У,
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 330 390 400 410 420 430 440 4Я) 460 (mainlib) Octacosyl acetate
Name: Odacosyl acetate л
Fomiula: C.^Hf.iyj?
MW: 252 bad Mass: 452.453332CASS 13206-97-S NISTS: 351733 IDS: 7543 DB mijb
87. Oxirane, hexadecyl-
152 166
194 203 221 235 250 267
10 2 3 30 40 50 60 72
ftnainlib) Chdrane. hexadecyl-
90 100 110 120 130 140 150 160 170
190 200 210 220 222 240 250 260 270 230
Name: 0>irane. hexadec^-Foiinula: C1 sHffij
MW: 263 bad"Mass: 263.276615 CASS: 739081 -O NISTS: 291026IDS: 46595 DB: mainlib
88. Benzoic acid, 2,4,6-trimethyl-, 2,4,6-trimethylphenyl ester
Э1
41
32
5155 J ,
|=3 330 40 50 60 73 SO 93 100 110 120 130 140 150 160 170
jnainlib) Benzoic acid. 2.4.64rimeíhyl-, 2.4, Gtrimeth^phenyl ester
135
165
130 ■ ■ . . . 2¥ .
130 190 200 210 220 230 240 250 260 270 260 290
Name Benzoic acid. 2.4.6trnc:thy 2.4.EHrimethylphenyl ester Formula C19H22P2
MW: 232 Exact Mass: 232.16193CASS: 1504-33-7 NISTS: 217323 Ш. 119763 DE: mainlib
89.
Tetracontane
113
155 1S
Г I71 T T T т T T T f T ^ T ?4i7 ? v 51S 533
2[] 40 60 mainlib) Tetracontane
100 120 140 160
200 22 3 2¿3 260 230 300 323 340 360 330 400 223 440 460
500 523 540 560
Name: Tetracontane Formula: C4qH$2
MW: ES2 Exact Maes: E62.64165CASS: 4131-95-7 NISTS: 234252 IDS: 23611 DB: mainlib
on
(4,4-Dimethvl-2,4,5,6-tetrahvdro-lH-inden-2-vl)acetic acid
147
30 40 50 60 73 30
jnainlib) (4.4-Dimethyl-2.4.5. EHetrahydro-1 H-inden^^ylJacetic acid
190 200 210 223
Name: (4,4-Dimethyl-2,4,5,frtetrahydro-11- inccn 2',1ucctic acid Fonnula: Ci^H-] 3O3
MW: 206 Exact Mass: 236.13063 CASS: 113522-67-1 NISTS: 210374IDS: 119693 DB: mainlib
91. Oct-5-en-2-ol, 8-(1,4,4a,5,6,7,8,8a-octahydro-2, 5, 5, 8a-tetramethylnaphth-1-yl)-6-methyl-
43 45
30 40 50 60 70
217
X,
90 100 110 120 130 140 150 160 170 130 190 200 210 220 230 240 250 260 270 230 290 300 310 320 330 340
(mainlib)Od-5«i-2el. B-[1.4.4a.5.6.7,S,Sa-odahydiu-2, 5. 5. eaietramathylnapHth-l-yl)-6mdhyi-
Name: Oí "Mat 2 341.4.4a.5.6.7.3.3a-odahydra-2. 5. 5. Sa4etrameth>1naphth-1^}^methy1-Foimula: C23H40Í21
MW: 332 bad Mass: 332.307917CASS: 106932-90-5 MISTS: 265623 IDS: 3454 DB: mainlib
92. lH-Inden-l-one, 5-amino-2,3-dihydro-
26
I .30.
I ::
II
l6666 7ü | -¡*,,Y|
6.3 65 6" I 1
92 1C4
194 .9.7 9.9 .,,!..
127 130 133
20 30 40
mainlib) 1 H-lnden-1-one, 53mlno-2,3dihydro-
Name 1H-lnden-1-one. Samino-2.3dihydra-Fominla C9H9NO
MW: 147 bad Mass: 147.D6S414 CASS: 347D-54-D MISTS: 151729 IDS 119393 DB: mainlib
93. 9,19-Cvclolanost-23-ene-3,25-diol, (3.beta.,23E)-
40 50 60 70 30 90 100 110 120 130 140 150 160 170 130 190 200 210 220 230 240 250 260 270 230 290 300 310 320 330 340 350 360 370 330 390 400 410 420 430 44D 450 460 470 430 490
tnainlib)9.19Cydolanos±-23-ene-3.25diol 3-acetate, (3p.23E)-
Nanie. 9.19Cydolano3t-23-ene-3.25diol. 3-acdde. Í33.23E)- л
Formula C32H52O3
MW: 464 bad Mass: 464.391645 CASS: 54432-56-3 NISTS: 49150 IDS: 6966 DB: mainlib
94.
.beta.-Guaiene
43 55
ilia
2D 30 40 50 60 70
jnainlib) (J-Guaiene
10J
iwJi
147 14S
131 135
IwÜJ
™ 187
173
30 100 110 120 130 140 150 160 170 130 130 200 210 220
Name p-Guaiene Formula:
MW: 204 Exact Mass: 234.1373 CASS: S&84-6 NISTS: 5226IDS: 133155 DB: mainlib
95. Octacosvl acetate
ISJ 167
Jlr, i it, Iff 222 ;36 250 264 278 252 306 320 334 343 380 ^ ^ ^ ^ 434 452
10 2 0 30 40 50 60 70 80 5D 100 110 120 130 140 150 160 170 180 150 200 210 22 D 230 240 250 260 270 230 250 300 310 320 330 340 350 360 37D 330 350 400 410 420 430 440 45D 460
(mainlib) Octacosyl acetate
Name: Odacos^ acetate л
Formula C3QH6flC>2
MW ¿E2 bad Mass: 452.455332CASS: 13206-37-3 NISTS: 351733 IDS: 7543 DB: mainlib
96. 1-Cvcloheptene, 1,4-dimethyl-3-(2-methyl-l-propene-l-yl)-4-vinyl-
107
27 35
147
141 I, 155
175
k ■ . , 11 -, 1?2,
2D 30 4D 50 60 70 80 30 100 110 120 130 14D 150 160 170 130 150 200 210 220
Jnainlib) 1-Cydoheptene. 1.4dimethyl-3{2-inethyl-1^:ropene-1^)-4-uinyl-Name: ICycloheptene, 1,4-dimethyl-3-l2-mdhyl-1-propene-1-yl)4-vinyl-
Forrnula; C15H24
MW 204 Ey'ad Mass: 2D4.1378 NISTS: 153336 IDS 75530 DB. mirtb
97. 2,6,6,9,2',6',6',9'-Octamethyl-[8,8']bi[tricyclo[5.4.0.0(2,9)]undecyl]
25
-aL
,ci Ч7 16J 152
гХ'г-тК rr^.r^ r »ffiffi ffi |3,t5|. I I
2D 30 40 50 SO 7D SO 90 100 110 12D 130 140 150 160 170 1S0 190 200 210 22D 23D 24D 250 260 270 2S0 290 300 310 320 330 340 35D 360 37D 3S0 390 400 410 420 (moinlib)2.6.6.S.2'.6,.6,,90dameth)1-[B.Blji[iiciclij[5.4.G.G(2.0)|undec>1] Name: 2.6.6.9.2,.6'.6,.9'-Odamethyl-(B.3'bi tncvclo [5.4Q.№2,9Hundecyti Fuin iul=
MW: ¿10 bad Mass: 410.391253 NISTS: 189482 IDS: 165093 DB: mainlib
98. 6.beta.Bicvclo[4.3.OJnonane, 5.beta.-iodomethyl-1 .beta.-isopropenyl-4.alpha.,5.alpha.-dimethyl-,
41
27
Л
w
175 13
„Iff.!., I|
2D 30 40 5D 60 7D 30 90 100 110 120 130 14D 150 160 170 (mainlib) 6|3Bicydo[4.3.D}ionane. 5(3-iodonidhyl-iPHsopropenyl-4c.5c(-dimdhyl-.
190 200 210 220 23D 240 25D 26D 270 280 250 300 310 320 33D 34D
Name: G|3Bicyclo[4.3 Djionane, 5|3-iodometh^-1|3-isopropenyl-4a,5a-dlmethyl-, Fcimula: C15H75I
MW: 332 bad Mass 332.1001 NISTS 195859 IDS: 77523 DB: mainlib
99. 4-(2,2-Dimethyl-6-methylenecyclohexylidene)-3-methylbutan-2-one
» 105
In,,.ill
119 117|
jm
131
ШЙ
2 0 30 40 50 60 70 31
(mainlib) 4-(2.2-Dimeth^-6fTiethylenecycloheKylldene>-3ineth^butan-2-one
90 100 110 120 130 140 150 160 170
190 200 210 220
Name: 4-(2,2-Dimetfyl-6-meth>tenecydohexylldeney3fTiethylbutan-2-one Formula: 2l.lH??:j
MW 206 bad Mass: 236 167066 CASS: 53175-74-7 NISTS: 195347 IDS 134546 DEL mainlib
100. Lup-20(29)-ene-3,21-dione, 28-hydroxy-
147 161
J3W
356
X
362 395 411 423
40 50 60 70 B0 90 100 110 120 130 140 1 50 1 60 170 130 190 200 210 220 23 3 240 250 2S0 270 230 290 300 310 320 330 340 350 360 370 330 390 400 410 220 430 440 2ЕЭ 460 273
{mainlib) Lip 20(291 crc 3 21 rioic. 2S+iydro*y-
Name^ Lup-20(29)«ne-3.21-dione. 23+rydraxy- A
Formula: СздН^Рз
MW: 454 ¿act Mass: ¿54.344686CASS: 13952-73-3 MISTS: 450E2IDS: 4E353 DB: mainlib
101. 9,19-CycIoergost-24(28)-en-3-oI, 4,14-dimethyl-, acetate, (3.beta.,4.alpha.,5.alpha.)-
43
1.1, í I,
J
173
в,.,. jiii.
.Al.X.^, ^ 263 2.1
300
323 337 353 365 375
i 425
20 40 60 30 100 120 140 160 130 200 22D 24D 260 230 300 320 340 360 330 400 420 440 460 430
jnainlib)9.19Cydoergost-24{2&)«n-3ol. 4.14-dimeth>l-. acetate. (3p.4a.5a)-Name 3,19Cycloergost-24{23)en-3c.l 4,14-dimethyl-, acetate, ■33,47,5::; Formula: C32H52O2
MW: 466 Bract Mass 463.39673CASS 1037642-B MISTS: 2S6407IDS 6916 DB,mainlib
102. 5-(l-lsopropenyl-4,5-dimethylbicyclo[4.3.0]nonan-5-yl)-3-methyl-2-pentenol acetate
1S1
217
JjL
22s L
20 30 40 50 60 73 30 90 100 110 123 130 140 150 160 170 130 190 200 210 220 233 243 250 260 273 230 290 300 310 323 333 343 (mainlib) 5{1-lsoprcpen^-4,5dlmethylb¡cyclo[4.3.Dfrionan-5yl)-3fneth^-2-pentenol acetate Name: 5-(l-lsopropenyl-4,: d net"1,1b cyclo[4.3,0)ionan-5yl)-3methiyl-2-pentenol acetate Formula: С22НЭЙР2
MW: 332 Bad Mass: 332.27153 MISTS: 135693 IDS: 157103 DB: mainlib
103. 5.alpha.-Hydroxy-4.alpha.,8,10,11-tetramethyltricyclo[6.3.0.0(2,4)]undec-10-ene
57 65 6}
131
Ji
Ш
40 50 60 70 BO 90 100 mainlib) 5a-Hydroxy-4a, 3,10,1 Hetramethyflncydo[S. 3.0.0t2.4ftndBC-1 Oene
Name 5a-Hydraxy4a .8.10.1 l-tetnmdhyhicjda [6 30 0<2.4)]undec-1 Oene Formula (5H24O
MW: 22: Exact Mass: 22D.182715 CASS: 141522-47-6 NISTS: 140210IDS: 92053 DB: mainlib
104.
2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-, [3S-
[3. alpha., 6. alpha. (R *)]]-
2,5 35 I 31 I,
115 I
136
iL.
i,т. iiii.
20 30 40 50 60 70 SO 00 1 00 110
mainlib) 2H-Pyran-3«I. tdrahydro-2,2,6trimethyl^4^eth^-3<^dohej(en-1 -yl)-. [3S-[3c ,6a(R ')"■
Nomei2H-Pyran-3ol.tetrahydro-2.2Wrimethylí-(4iriethyl-3íiclohe*en-l-yi)-, [3S-)3a.Etii;R')]]-Formula: Ci5H2^2
MW: 23S Exact Mass: 238.10328CASS: 22567-ЗИ NISTS: 70253 IDS: 115336 DB: mainlib
105.
Humulane-1,6-dien-3-ol
45 51
ill? I.
121
123
35
137
j 1- 151 145 i —lJJILI—
,207
IT
40 50 60 70 jnalnllb) Humulane-1,6dlen-3cl
90 100 110 120 130 1 40 1 50 1 60 1 70 1 80 1 90 200 210 220 230
Name: Humulane-1,6-dien-3ol Formula: Ci5H?fiO
MW: 222 Exart Mass: 222.198365 NISTS: 140231 IDS: 77216 DB: mainlib
106. 2,2-Dimethyl-3-(3,7,16,20-tetramethyl-heneicosa-3,7,11,15,19-pentaenyl)-oxirane
25
161 175 139
^f3 215 223 231 243 257 265 265 255 311 325 340 351 365 375 354 412
...........................................................................................................'"i.........................................................ч—........r*^-
20 30 40 50 60 70 30 90 1 00 110 120 130 140 150 160 170 (mainlib) 2,2-Dimeth^-3-(3,7,16,20tetrameth^-henelcosa-3,7,11,15,19pentaen^}oxirane
190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 330 390 400 410 420
Name: 2,2-Dlmethyl-3{3,7,16,2D1etramethyl^ieneicosa-3,7,l 1,15,19perrtaenyl}oxlrane Formula: C29H43O
MW: 412 bad Mass: 412370516 NISTS: 194736 IDS 45724 DB, mainlib
107. Betulin
20 30 40 50 60 70 jnainlib) Betulin
190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 380 390 400 410 420 430 440 450
Name Betulin Formula C30H5QO2
MW: 442 SadMass: 442.38108 CASS: 473-93-3 NISTS: 63047 IDS 155187 DB: mainlib
Рис. 2. Структуры наиболее представительных соединений почек березы повислой
Выводы:
1. Впервые выполнено подробное исследование химического состава органического вещества почек березы повислой методом хромато-масс-спектрометрии, позволившей идентифицировать 107 индивидуальных соединений.
2. Выполнен расчет структурно-группового состава экстракта, выявлены особенности распределения различных групп соединений по их количественному содержанию.
3. Существенно расширен спектр соединений, определяющий химический состав органического вещества почек березы повислой, по сравнению с известным в литературе, что позволяет сделать определенный вывод о специфичности физиологического действия препаратов на основе данного растительного сырья.
Литература
1. Балицкий К.П., Коронцова А.П. Лекарственные растения и рак. Киев: Наукова думка, 1982. 375 с.
2. Виноградов Т.А., Гажев Б.Н. Практическая фитотерапия. Серия «Полная энциклопедия». М.: «ОЛМА-ПРЕСС»; СПб.: Издательский дом «Нева», «Велери СПД», 1998. 640 с.: ил.
3. Георгиевский В.П., Комиссаренко Н.Ф., Дмитрук С.Е. Биологически активные вещества лекарственных растений. Новосибирск: Наука, 1990. 328 с.
4. Горяев М.И., Шарипова Ф.С. Растения, обладающие противоопухолевой активностью. Алма-Ата: Наука, 1993. 172 с.
5. Никонов Г.К., Мануйлов Б.М. Основы современной фитотерапии. ОАО Издательство «Медицина», 2005. 520 с.: ил.
6. Новейшая энциклопедия домашней медицины. М.: Престиж Бук, 2012. 480 с.: илл.
7. Попов А.П. Лекарственные растения в народной медицине. Киев: Здоровье, 1970. 313 с.
8. Пронченко Г.Е. Лекарственные растительные средства. М.: ГЭОТАР-МЕД, 2002. 283 с.
9. Середин Р.М., Соколов С.Д. Лекарственные растения и их применение. Ставрополь, 1973. 342 с.
JOURNAL OF NEW MEDICAL TECHNOLOGIES, eEdition - 2018 - N 6
10. Ушбаев К. У., Курамысова И.И., Аксанова В.Ф. Целебные травы. Алма-Ата: Кайнар, 1994. 215 с.
References
1. Balickij KP, Koroncova AP. Lekarstvennye rasteniya i rak [Medicinal plants and cancer]. Kiev: Nau-kova dumka; 1982. Russian.
2. Vinogradov TA, Gazhev BN. Prakticheskaya fitoterapiya [Practical herbal medicine]. Seriya «Polnaya ehnciklopediya». Moscow: «OLMA-PRESS»; Sankt-Peterburg: Izdatel'skij dom «Neva», «Veleri SPD»; 1998. Russian.
3. Georgievskij VP, Komissarenko NF, Dmitruk SE. Biologicheski aktivnye veshchestva lekarstvennyh rastenij [Biologically active substances of medicinal plants]. Novosibirsk: Nauka; 1990. Russian.
4. Goryaev MI, SHaripova FS. Rasteniya, obladayushchie protivoopuholevoj aktivnost'yu [Plants with antitumor activity]. Alma-Ata: Nauka; 1993. Russian.
5. Nikonov GK, Manujlov BM. Osnovy sovremennoj fitoterapii [Fundamentals of modern herbal medicine]. OAO Izdatel'stvo «Medicina»; 2005. Russian.
6. Novejshaya ehnciklopediya domashnej mediciny [The newest encyclopedia of home medicine]. Moscow: Prestizh Buk; 2012. Russian.
7. Popov AP. Lekarstvennye rasteniya v narodnoj medicine [medicinal plants In folk medicine]. Kiev: Zdorov'e; 1970. Russian.
8. Pronchenko GE. Lekarstvennye rastitel'nye sredstva [Medicinal herbal remedies]. Moscow: GEHO-TAR-MED; 2002. Russian.
9. Seredin RM, Sokolov SD. Lekarstvennye rasteniya i ih primenenie [Medicinal plants and their application]. Stavropol'; 1973. Russian.
10. Ushbaev KU, Kuramysova II, Aksanova VF. Celebnye travy [Medicinal herbs]. Alma-Ata: Kajnar; 1994. Russian.
Библиографическая ссылка:
Платонов В.В., Хадарцев А.А., Сухих Г.Т., Дунаев В.А. Хромато-масс-спектрометрия спиртового экстракта почек березы повислой (Betula Pendula Roth) // Вестник новых медицинских технологий. Электронное издание. 2018. №6. Публикация 3-6. URL: http://www.medtsu.tula.ru/VNMT/Bulletin/E2018-6/3-6.pdf (дата обращения: 23.11.2018). DOI: 10.24411/2075-4094-2018-16285.*
* номера страниц смотреть после выхода полной версии журнала: URL: http://medtsu.tula.ru/VNMT/Bulletin/E2018-6/e2018-6.pdf
