SPEKTRUM HASIL ANALISA GC-MS METIL ESTER
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1 Spectrum pada RT = menit Hit 1. (replib) Hexadecanoic acid, methyl ester Hexadecanoic acid, methyl ester Lib : A MAMER, MCGILL UNIVERSITY, MNTREAL, CANADA 1 Hexadecanoic acid, methyl ester Lib : Chuck Anderson, Aldrich Chemical Co. Hexadecanoic acid, methyl ester Mass Spectrometry Data Center Hexadecanoic acid, methyl ester Pentadecanoic acid, 14-methyl-, methyl ester Hit 2. (replib) Hexadecanoic acid, methyl ester Hit 3. (mainlib) Hexadecanoic acid, methyl ester Hit 4. (replib) Hexadecanoic acid, methyl ester Hit 5. (mainlib) Pentadecanoic acid, 14-methyl-, methyl ester
2 Spectrum pada RT = 19.3menit Hit 1. (mainlib) Cholest-4-en-3-one Cholestenone Mass Spectrometry Data Center 1 Cholesterone Cholestenone Linolenin, 1-mono Cholestenone Lib : Div. of Experiment Therapeutics WRAIR, WRAMC, Washington DC Hit 2. (replib) Cholest-5-en-3-one Hit 3. (replib) Cholest-4-en-3-one Hit 4. (mainlib) 9,12,15-ctadecatrienoic acid, 2,3-dihydroxypropyl ester, (Z,Z,Z) Hit 5. (replib) Cholest-4-en-3-one C27H44 H H 48
3 Spectrum pada RT = 2.331menit SPEKTRUM HASIL ANALISA GC-MS METIL ESTER Hit 1. (replib) 9-ctadecenoic acid (Z)-, methyl ester leic acid, methyl ester Lib : RADIAN CRP Elaidic acid, methyl ester Mass Spectrometry Data Center trans-13-ctadecenoic acid, methyl ester Mass Spectrometry Data Center 11-ctadecenoic acid, methyl ester Mass Spectrometry Data Center cis-13-ctadecenoic acid, methyl ester Mass Spectrometry Data Center Hit 2. (replib) 9-ctadecenoic acid, methyl ester, (E) Hit 3. (mainlib) trans-13-ctadecenoic acid, methyl ester Hit 4. (replib) 11-ctadecenoic acid, methyl ester Hit 5. (mainlib) cis-13-ctadecenoic acid, methyl ester C19H362 49
4 Spectrum pada RT = menit Hit 1. (mainlib) Hexadecanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester Palmitin, 2-mono- 1 6 Palmitin, 1-mono- 84 2,3-Dihydroxypropyl palmitate Lib : Japan AIST/NIMC Database- Spectrum MS-NW-5623 Palmitoyl chloride Mass Spectrometry Data Center Dipalmitin Lib : R.T.HLMAN,UNIVERSITY F MINNESTA Hit 2. (mainlib) Hexadecanoic acid, 2,3-dihydroxypropyl ester Hit 3. (mainlib) Hexadecanoic acid, 2,3-dihydroxypropyl ester, (±) Hit 4. (mainlib) Palmitoyl chloride Hit 5. (mainlib) Hexadecanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester H H Cl H H H H H
5 Spectrum pada RT = menit Hit 1. (mainlib) 9,12,15-ctadecatrienoic acid, 2,3-dihydroxypropyl ester, (Z,Z,Z)- Linolenin, 1-mono- 1 Linoleoyl chloride Lib : RADIAN CRP E,E,Z-1,3,12-Nonadecatriene-5,14-diol Lib : J. Klune, Insect Chem. Ecol. Lab., USDA, Beltsville, MD 275 Linolein, 1-mono Cl Hit 2. (replib) 9,12-ctadecadienoyl chloride, (Z,Z) Hit 3. (mainlib) E,E,Z-1,3,12-Nonadecatriene-5,14-diol Hit 4. (mainlib) 9,12-ctadecadienoic acid (Z,Z)-, 2,3-dihydroxypropyl ester Cyclopropaneoctanoic acid, 2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]-, methyl ester Lib : R.T.HLMAN,UNIVERSITY F MINNESTA H Hit 5. (mainlib) Cyclopropaneoctanoic acid, 2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]-, methyl ester H H H H H 51
6 Spectrum pada RT = menit Hit 1. (replib) 9-ctadecenoic acid (Z)-, 2,3-dihydroxypropyl ester lein, 1-mono leic acid, 3-hydroxypropyl ester Lib : R.T.HLMAN,UNIVERSITY F MINNESTA lein, 2-mono ,3-Dihydroxypropyl elaidate Lib : Japan AIST/NIMC Database- Spectrum MS-IW-486 leic anhydride Lib : Japan AIST/NIMC Database- Spectrum MS-IW Hit 2. (mainlib) leic acid, 3-hydroxypropyl ester H Hit 3. (mainlib) 9-ctadecenoic acid (Z)-, 2-hydroxy-1-(hydroxymethyl)ethyl ester Hit 4. (mainlib) 2,3-Dihydroxypropyl elaidate Hit 5. (mainlib) leic anhydride C21H44 C21H44 H H
7 Spectrum pada RT = menit Hit 1. (mainlib) 9,12,15-ctadecatrienoic acid, 2,3-dihydroxypropyl ester, (Z,Z,Z)- Linolenin, 1-mono- 1 lein, 2-mono- Nonanoic acid, 9-(3-hexenylidenecyclopropylidene)-, 2-hydroxy-1-(hydroxymethyl)ethyl ester, (Z,Z,Z)- cis-8,11,14-eicosatrienoic Acid Lib : R.T.HLMAN,UNIVERSITY F MINNESTA Linoleic acid Lib : SHRADER Hit 2. (mainlib) 9-ctadecenoic acid (Z)-, 2-hydroxy-1-(hydroxymethyl)ethyl ester Hit 3. (mainlib) Nonanoic acid, 9-(3-hexenylidenecyclopropylidene)-, 2-hydroxy-1-(hydroxymethyl)ethyl ester, (Z,Z,Z) Hit 4. (replib) 8,11,14-Eicosatrienoic acid, (Z,Z,Z) H Hit 5. (replib) 9,12-ctadecadienoic acid (Z,Z)- 352 H H C18H322 C21H44 H H 53
8 Spectrum pada RT = 23.2 menit Hit 1. (replib) leic Acid leic Acid Lib : Japan AIST/NIMC Database- Spectrum MS-NW-37 1 Z-(13,14-Epoxy)tetradec-11-en-1-ol acetate Lib : J. Klune, Insect Chem. Ecol. Lab., USDA, Beltsville, MD 275 leic Acid lein, 2-mono- 82 cis-13-eicosenoic acid Mass Spectrometry Data Center Hit 2. (mainlib) Z-(13,14-Epoxy)tetradec-11-en-1-ol acetate Hit 3. (replib) leic Acid Hit 4. (mainlib) 9-ctadecenoic acid (Z)-, 2-hydroxy-1-(hydroxymethyl)ethyl ester Hit 5. (mainlib) cis-13-eicosenoic acid H H C21H44 H 54
9 Spectrum pada RT = menit Hit 1. (mainlib) Cholestan-3-ol, 2-methylene-, (3β,5α)- 5α-Cholestan-3β-ol, 2-methylene- Lib : CARL DJERASSI DEPT F CHEM STANFRD UNIV STANFRD CALIF Methyl-Z-tetradecen-1-ol acetate Lib : J. Klune, Insect Chem. Ecol. Lab., USDA, Beltsville, MD 275 Estradiol, 3-deoxy- Lib : LAC, NIDDK, NIH, Bethesda, MD xiraneoctanoic acid, 3-octyl-, cis- Lib : R.T.HLMAN,UNIVERSITY F MINNESTA leic acid, 3-(octadecyloxy)propyl ester Lib : R.T.HLMAN,UNIVERSITY F MINNESTA Hit 2. (mainlib) 7-Methyl-Z-tetradecen-1-ol acetate Hit 3. (mainlib) Estra-1,3,5(1)-trien-17β-ol Hit 4. (mainlib) xiraneoctanoic acid, 3-octyl-, cis Hit 5. (mainlib) leic acid, 3-(octadecyloxy)propyl ester H C28H H
10 Spectrum pada RT = menit Hit 1. (replib) β-tosterol β-tosterol Lib : Humboldt-Universitatzu Berlin, Department of Chemistry, Analytical Group γ-tosterol H Hit 2. (mainlib) γ-tosterol H Hit 3. (mainlib) Pseduosarsasapogenin-5,2-dien Pseduosarsasapogenin-5,2-dien Lib : LAC, NIDDK, NIH, Bethesda, MD Hit 4. (mainlib) 9,1-Secocholesta-5,7,1(19)-triene-1,3-diol, 25-[(trimethylsilyl)oxy]-, (3β,5Z,7E)- 9,1-Secocholesta-5,7,1(19)-triene-1,3-diol, 25-[(trimethylsilyl)oxy]-, (3β,5Z,7E) ,12,15-ctadecatrienoic acid, 2-phenyl-1,3-dioxan-5-yl ester Lib : R.T.HLMAN,UNIVERSITY F MINNESTA H H H H Hit 5. (mainlib) 9,12,15-ctadecatrienoic acid, 2-phenyl-1,3-dioxan-5-yl ester
11 Spectrum pada RT = menit Hit 1. (replib) β-tosterol β-tosterol Lib : Humboldt-Universitatzu Berlin, Department of Chemistry, Analytical Group γ-tosterol Ethyl iso-allocholate Lib : R RYHAGE MS-LAB KARLINSKA INSTITUTET STCKHLM SWEDEN H Hit 2. (mainlib) γ-tosterol Hit 3. (mainlib) Ethyl iso-allocholate H H H H Hit 4. (mainlib) Pseduosarsasapogenin-5,2-dien Pseduosarsasapogenin-5,2-dien Lib : LAC, NIDDK, NIH, Bethesda, MD Linolenin, 1-mono Hit 5. (mainlib) 9,12,15-ctadecatrienoic acid, 2,3-dihydroxypropyl ester, (Z,Z,Z)- H H H H
12 Spectrum pada RT = menit Hit 1. (replib) leic Acid leic Acid Lib : Japan AIST/NIMC Database- Spectrum MS-NW cis-13-eicosenoic acid Mass Spectrometry Data Center leic Acid trans-13-ctadecenoic acid Mass Spectrometry Data Center Hit 2. (mainlib) cis-13-eicosenoic acid Hit 3. (replib) leic Acid Hit 4. (mainlib) trans-13-ctadecenoic acid Hit 5. (mainlib) 12-Methyl-E,E-2,13-octadecadien-1-ol 12-Methyl-E,E-2,13-octadecadien-1-ol Lib : J. Klune, Insect Chem. Ecol. Lab., USDA, Beltsville, MD 275 H H H H H 58
13 Spectrum pada RT = 24.7 menit Hit 1. (mainlib) 9-ctadecenoic acid (Z)-, 2-hydroxy-1-(hydroxymethyl)ethyl ester β-monoolein 1 6 leic Acid Lib : Japan AIST/NIMC Database- Spectrum MS-NW-37 cis-vaccenic acid Mass Spectrometry Data Center leic Acid trans-13-ctadecenoic acid Mass Spectrometry Data Center Hit 2. (replib) leic Acid Hit 3. (mainlib) cis-vaccenic acid Hit 4. (replib) leic Acid Hit 5. (mainlib) trans-13-ctadecenoic acid H H H C21H44 H 59
14 Spectrum pada RT = menit Hit 1. (mainlib) 9-ctadecenoic acid (Z)-, 2-hydroxy-1-(hydroxymethyl)ethyl ester β-monoolein ctadecenoic acid, 1,2,3-propanetriyl ester, (E,E,E)- Lib : Japan AIST/NIMC Database- Spectrum MS-IW- Linolenin, 1-mono- leic Acid Lib : Japan AIST/NIMC Database- Spectrum MS-NW-37 leic Acid Hit 2. (mainlib) 9-ctadecenoic acid, 1,2,3-propanetriyl ester, (E,E,E) C21H44 CH Hit 3. (mainlib) 9,12,15-ctadecatrienoic acid, 2,3-dihydroxypropyl ester, (Z,Z,Z) Hit 4. (replib) leic Acid Hit 5. (replib) leic Acid H H H H 6
15 Spectrum pada RT = menit Hit 1. (mainlib) 1-Monolinoleoylglycerol trimethylsilyl ether 1-Monolinoleoylglycerol trimethylsilyl ether ,12,15-ctadecatrienoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester, (Z,Z,Z)- leic Acid Linoleoyl chloride Lib : RADIAN CRP Methyl-E,E-2,13-octadecadien-1-ol Lib : J. Klune, Insect Chem. Ecol. Lab., USDA, Beltsville, MD Hit 2. (replib) 9,12,15-ctadecatrienoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester, (Z,Z,Z) Hit 3. (replib) leic Acid Hit 4. (replib) 9,12-ctadecadienoyl chloride, (Z,Z) Hit 5. (mainlib) 12-Methyl-E,E-2,13-octadecadien-1-ol Cl H H
16 Spectrum pada RT = menit Hit 1. (mainlib) Tricyclo[2.8..(7,16)]triacontane, 1(22),7(16)-diepoxy- Tricyclo[2.8..(7,16)]triacontane, 1(22),7(16)-diepoxy Monolinoleoylglycerol trimethylsilyl ether Hit 2. (mainlib) 1-Monolinoleoylglycerol trimethylsilyl ether ,12,15-ctadecatrienoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester, (Z,Z,Z) Hit 3. (replib) 9,12,15-ctadecatrienoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester, (Z,Z,Z) Hit 4. (mainlib) 2-[4-methyl-6-(2,6,6-trimethylcyclohex-1-enyl)hexa-1,3,5-trienyl]cyclohex-1-en-1-carboxaldehyde 2-[4-methyl-6-(2,6,6-trimethylcyclohex-1-enyl)hexa-1,3,5-trienyl]cyclohex-1-en-1-carboxaldehyde Lib :A.S.Moskovkin,I.M.Karnaukh, Russian Center on Disaster Medicine Hit 5. (mainlib) 9,1-Secocholesta-5,7,1(19)-triene-1,3-diol, 25-[(trimethylsilyl)oxy]-, (3β,5Z,7E)- 9,1-Secocholesta-5,7,1(19)-triene-1,3-diol, 25-[(trimethylsilyl)oxy]-, (3β,5Z,7E)- H H H
17 Spectrum pada RT = 26.3 menit Hit 1. (mainlib) Ethyl iso-allocholate Ethyl iso-allocholate Lib : R RYHAGE MS-LAB KARLINSKA INSTITUTET STCKHLM SWEDEN 1 leic acid, 3-(octadecyloxy)propyl ester Lib : R.T.HLMAN,UNIVERSITY F MINNESTA β-monoolein 9-ctadecenoic acid, 1,2,3-propanetriyl ester, (E,E,E)- Lib : Japan AIST/NIMC Database- Spectrum MS-IW- cis-13-eicosenoic acid NIST Mass Spectrometry Data Center Hit 2. (mainlib) leic acid, 3-(octadecyloxy)propyl ester H H Hit 3. (mainlib) 9-ctadecenoic acid (Z)-, 2-hydroxy-1-(hydroxymethyl)ethyl ester Hit 4. (mainlib) 9-ctadecenoic acid, 1,2,3-propanetriyl ester, (E,E,E) C21H Hit 5. (mainlib) cis-13-eicosenoic acid H H CH146 63
18 Spectrum pada RT = menit Hit 1. (mainlib) Ethyl iso-allocholate Ethyl iso-allocholate Lib : R RYHAGE MS-LAB KARLINSKA INSTITUTET STCKHLM SWEDEN 1 Linolenin, 1-mono Heptatriacotanol Lib : LAC, NIDDK, NIH, Bethesda, MD Tricyclo[2.8..(7,16)]triacontane, 1(22),7(16)-diepoxy Hit 2. (mainlib) 9,12,15-ctadecatrienoic acid, 2,3-dihydroxypropyl ester, (Z,Z,Z) Hit 3. (mainlib) 1-Heptatriacotanol Hit 4. (mainlib) Tricyclo[2.8..(7,16)]triacontane, 1(22),7(16)-diepoxy H H H H H H Hit 5. (mainlib) 2-[4-methyl-6-(2,6,6-trimethylcyclohex-1-enyl)hexa-1,3,5-trienyl]cyclohex-1-en-1-carboxaldehyde 2-[4-methyl-6-(2,6,6-trimethylcyclohex-1-enyl)hexa-1,3,5-trienyl]cyclohex-1-en-1-carboxaldehyde Lib ;A.S.Moskovkin,I.M.Karnaukh, Russian Center on Disaster Medicine 324 H 64
19 Spectrum pada RT = menit Hit 1. (mainlib) 1-Monolinoleoylglycerol trimethylsilyl ether 1-Monolinoleoylglycerol trimethylsilyl ether 1 6 Dasycarpidan-1-methanol, acetate (ester) Lib : CARL DJERASSI DEPT F CHEM STANFRD UNIV STANFRD CALIF ,12,15-ctadecatrienoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester, (Z,Z,Z)- 9-ctadecenoic acid, 1,2,3-propanetriyl ester, (E,E,E)- Lib : Japan AIST/NIMC Database- Spectrum MS-IW- β-monoolein Hit 2. (mainlib) Dasycarpidan-1-methanol, acetate (ester) Hit 3. (replib) 9,12,15-ctadecatrienoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester, (Z,Z,Z)- 1 HN Hit 4. (mainlib) 9-ctadecenoic acid, 1,2,3-propanetriyl ester, (E,E,E) N CH Hit 5. (mainlib) 9-ctadecenoic acid (Z)-, 2-hydroxy-1-(hydroxymethyl)ethyl ester C21H44 65
20 Spectrum pada RT = menit Hit 1. (mainlib) 1-Monolinoleoylglycerol trimethylsilyl ether 1-Monolinoleoylglycerol trimethylsilyl ether ,12,15-ctadecatrienoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester, (Z,Z,Z)- leic acid, 3-(octadecyloxy)propyl ester Lib : R.T.HLMAN,UNIVERSITY F MINNESTA ,12,15-ctadecatrienoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester, (Z,Z,Z)- Spirost-8-en-11-one, 3-hydroxy-, (3β,5α,14β,2β,22β,25R)- Lib : CARL DJERASSI DEPT F CHEM STANFRD UNIV STANFRD CALIF Hit 2. (mainlib) 9,12,15-ctadecatrienoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester, (Z,Z,Z) Hit 3. (mainlib) leic acid, 3-(octadecyloxy)propyl ester Hit 4. (replib) 9,12,15-ctadecatrienoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester, (Z,Z,Z) Hit 5. (mainlib) Spirost-8-en-11-one, 3-hydroxy-, (3β,5α,14β,2β,22β,25R) H 66
21 Spectrum pada RT = menit Hit 1. (mainlib) 1-Monolinoleoylglycerol trimethylsilyl ether 1-Monolinoleoylglycerol trimethylsilyl ether ,12,15-ctadecatrienoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester, (Z,Z,Z)- leic acid, 3-(octadecyloxy)propyl ester Lib : R.T.HLMAN,UNIVERSITY F MINNESTA Spirost-8-en-11-one, 3-hydroxy-, (3β,5α,14β,2β,22β,25R)- Lib : CARL DJERASSI DEPT F CHEM STANFRD UNIV STANFRD CALIF 9435 Dodecyl cis-9,1-epoxyoctadecanoate Lib : Japan AIST/NIMC Database- Spectrum MS-IW Hit 2. (replib) 9,12,15-ctadecatrienoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester, (Z,Z,Z) Hit 3. (mainlib) leic acid, 3-(octadecyloxy)propyl ester Hit 4. (mainlib) Spirost-8-en-11-one, 3-hydroxy-, (3β,5α,14β,2β,22β,25R) Hit 5. (mainlib) Dodecyl cis-9,1-epoxyoctadecanoate H C3H5
22 Spectrum pada RT = menit Hit 1. (mainlib) 1-Monolinoleoylglycerol trimethylsilyl ether 1-Monolinoleoylglycerol trimethylsilyl ether ,12,15-ctadecatrienoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester, (Z,Z,Z)- Dasycarpidan-1-methanol, acetate (ester) Lib : CARL DJERASSI DEPT F CHEM STANFRD UNIV STANFRD CALIF 9435 Tricyclo[2.8..(7,16)]triacontane, 1(22),7(16)-diepoxy H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one, 3,9,9a-tris(acetyloxy)-3-[(acetyloxy)methyl]-2-chloro-1,1a,1b,2 Lib : DKFZ HD SCHMIDT, HEIDELBERG, GERMANY, F.R.G Hit 2. (replib) 9,12,15-ctadecatrienoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester, (Z,Z,Z) Hit 3. (mainlib) Dasycarpidan-1-methanol, acetate (ester) Hit 4. (mainlib) Tricyclo[2.8..(7,16)]triacontane, 1(22),7(16)-diepoxy Hit 5. (mainlib) 5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one, 3,9,9a-tris(acetyloxy)-3-[(acetyloxy)methyl]-2-chloro-1,1a,1b,2,3,4,4a,7a,7b,8,9,9a-dodecahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-, [1aR-(1aα,1bβ,2α,3β,4aβ,7aα,7bα,8α,9β,9aα)]- HN N 68
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Supplementary Materials Figure S1. Chemical structures of phloracetophenone intermediates (2a, 2c 2g). 2a 2c 2d 2e 2f 2g Figure S2. Chemical structures of geranylacetophenone analogues (3a, 3c, 3e g).
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