講義成果202110測樣茴香

1、色譜圖 F:20150330測樣茴香.qgdTIC41,20910.020.030.034.0min峰表 TIC峰高10992375636178911621579133625092305917791552120318241600177722361186145819472113131115832224227618611341170718131633216718942369419140883350383838833759301137283533293918922320202616803025263431171871197415511158133415511845峰號1234567891011121

2、314151617181920212223242526272829303132333435363738394041424344454647484950515253545556保留時間3.4755.0965.4676.9957.2748.1298.3258.4178.5028.6468.9699.81713.40714.31714.47514.75916.81717.13917.84017.92518.07518.29618.52518.69819.07519.35820.26721.31721.47722.53122.56722.69222.94122.99123.09223.20923.30

3、823.41023.46723.64223.71723.83924.00824.16024.50224.57524.87324.94925.07825.29726.37526.52527.36928.40529.69230.333I.Time 3.4585.0335.3426.8337.0588.0088.1588.4088.4428.5588.8259.79213.29214.30014.45014.65016.80017.09217.73317.85818.05818.20818.44218.61718.95019.23320.25021.18321.33322.31722.55022.6

4、5022.89222.96723.01723.16723.25023.33323.43323.55823.68323.81723.91724.10824.39224.54224.76724.89224.98325.16726.26726.40827.35028.24229.57530.267F.Time 3.6835.1425.4837.0587.2928.1588.4088.4428.5588.6679.0009.94213.43314.45014.59215.00017.02517.23317.85817.95818.16718.36718.54218.72519.11719.38320.

5、40021.33321.50022.55022.65022.81722.96723.01723.16723.25023.33323.43323.48323.68323.81723.87524.02524.19224.54224.76724.89224.98325.11725.33326.40826.58327.58328.49229.72530.350峰面積861810338764313593103577636879428184167548512879796489973979793911752810187797210131813392458471849077651249397081185311

6、16885952336790171635915556100222788816426145321872476542335619728860378099387101811260015605102401867912740121071172979131137281188062峰面積%峰高% 0.771.660.441.250.811.109.353.562.141.241.090.841.281.121.241.560.831.021.361.480.921.111.561.591.300.941.191.271.141.521.331.662.932.862.342.692.722.632.112.

7、612.472.061.321.621.421.182.121.842.181.311.381.090.810.931.091.29積/高度7.844.3512.027.608.914.846.581.615.484.785.678.025.476.125.287.848.595.475.203.857.055.353.823.416.717.246.946.165.2610.784.766.913.712.458.324.283.744.982.546.275.582.934.134.055.037.505.163.895.996.816.137.566.838.525.234.37標記名稱

8、1.111.330.991.751.34V VV0.9911.351.062.161.101.141.251.291.261.212.261.321.031.311.051.191.091.101.001.611.251.531.441.113.021.162.112.011.293.602.121.882.420.993.022.551.111.011.211.311.632.011.322.411.641.561.511.021.471.051.04V V V V VV V VV V V V V V V V V V V V V V V V V V V V V V V V V V VV V

9、V V VV V3.4755.0964676.9957.2748 1298 580.24178.6468.9698.3259.81713.4071144.34177514.75916.81717.1391177.89420518 07518.29618.6295819.07519.35820.2672211.437177222222.5566397122322099294123.23083234647102422323387361947224.0106802244.55705224 98479325 07825.2972266.53275527.36928.40529.69230.33333.

10、03333.8273344.442731峰號 保留時間5733.0335833.8275934.4236034.471I.Time 32.98333.80034.29234.450F.Time 33.20033.90834.45034.575峰面積 峰面積% 109751.4295451.2395051.2378701.02774591 100.00峰高2164196315521951142935峰高% 積/高度1.515.07標記 名稱VV V V1.371.091.36100.004.866.124.03譜庫<< 目標組分 >>行號#:1保留時間:3.475(掃描數(shù)

11、#:58)質量峰:157原始模式:平均 3.467-3.483(57-59)背景模式:峰校準 組 1 -1基峰:39.95(132)10040101 114207213522382341417486270126180163290 30425432830507090110130150170190210230250270290310330命中#:1 輸入:19820譜庫:NIST05s.LIBSI:32式:C11H9BrO CAS:5111-65-9 摩爾質量:236 保留指數(shù):1740組分名稱:Naphthalene, 2-bromo-6-methoxy- $ 2-Bromo-6-methoxy

12、naphthalene $ 6-Bromo-2-methoxynaphthalene $100114236195Br6340O8812674502211429819615730507090110130150170190210230250270290310330命中#:2輸入:82334譜庫:NIST05.LIBSI:31式:C9H8BrN3S CAS:4871-22-1 摩爾質量:269 保留指數(shù):2157組分名稱:Thiazole-2-hydrazine, 4-(4-bromophenyl)- $ 4-(4-Bromophenyl)-2-hydrazino-1,3-thiazole # $1

13、00173271NNHNH2BrS891824513415975101146402392546320711430507090110130150170190210230250270290310330命中#:3 輸入:63523譜庫:NIST05.LIBSI:31式:C10H7ClN2O3 CAS:52824-29-0 摩爾質量:238組分名稱:2-Chloro-6-methoxy-8-nitroquinoline保留指數(shù):1990100114238O63127180NCl149162NOO872082105075991824630507090110130150170190210230250270

14、290310330命中#:4 輸入:65940 譜庫:NIST05.LIBSI:30式:C8H6Cl4 CAS:0-00-0 摩爾質量:242 保留指數(shù):1717組分名稱:1,4-Dichloro-2,5-di(chloromethyl)benzene100207ClCl5075172102211Cl1366285244Cl4630507090110130150170190210230250270290310330命中#:5 輸入:71965譜庫:NIST05.LIBSI:30式:C10H6BrFN2 CAS:85979-65-3 摩爾質量:252 保留指數(shù):1649組分名稱:Pyrimidi

15、ne, 4-bromo-6-(4-fluorophenyl)- $ 4-Bromo-6-(4-fluorophenyl)pyrimidine $100146FN252N126173Br759512350634018530507090110130150170190210230250270290310330<< 目標組分 >>行號#:2保留時間:5.100(掃描數(shù)#:253) 質量峰:160原始模式:平均 5.092-5.108(252-254)背景模式:峰校準 組 1 -1基峰:133.00(65)1004912113368284411031472413263162077

16、8 86163261177 1872132353022691030507090110130150170190210230250270290310330命中#:1 輸入:81229譜庫:NIST05.LIBSI:34式:C13H21N3O3 CAS:108904-53-6 摩爾質量:267 保留指數(shù):2233組分名稱:(+-)-5-(1-Acetoxy-1-methylethyl)-2-methyl-2-cyclohexen-1-one semicarbazone $ 1-(5Z)-5-(Aminoca10043147207132O91106123166OO4177N27NH NH2601901

17、030507090110130150170190210230250270290310330命中#:2 輸入:75934 譜庫:NIST05.LIBSI:34式:C14H23ClO2 CAS:0-00-0 摩爾質量:258 保留指數(shù):1523組分名稱:Cyclopropane, 1-chloro-1-(3,3-diethoxy-1-propynyl)-2,2,3,3-tetramethyl-1004139437710521312191149O133155177Cl65O2011851030507090110130150170190210230250270290310330命中#:3 輸入:777

18、31 譜庫:NIST05.LIBSI:33式:C15H19NO3 CAS:0-00-0 摩爾質量:261保留指數(shù):2080組分名稱:2-Azaspiro4.5deca-6,9-dien-8-one, 1-(2-ethoxy-2-oxo-ethylidene)-3,3-dimethyl-100133148O200NH3977107261160426891172O216188246120O1030507090110130150170190210230250270290310330命中#:4 輸入:110285 譜庫:NIST05.LIBSI:33式:C21H32O2 CAS:3310-94-9 摩

19、爾質量:316 保留指數(shù):2203組分名稱:Methyl palustrate isomer $ Podocarpa-8,13-dien-15-oic acid, 13-isopropyl-, methylester $ Methy10091411051491337911759185241159301O213316O1030507090110130150170190210230250270290310330命中#:5 輸入:30568譜庫:NIST05.LIBSI:33式:CH2Cl3PS CAS:1983-27-3摩爾質量:182 保留指數(shù):0組分名稱:Chloromethylphospho

20、nothioic dichloride100133182SP ClCl6345147101Cl3579131151030507090110130150170190210230250270290310330<< 目標組分 >>行號#:3保留時間:5.467(掃描數(shù)#:297) 質量峰:152原始模式:平均 5.458-5.475(296-298)背景模式:峰校準 組 1 -1基峰:39.95(122)1004071144874724010119456115133160 173268225260202 211331 33929030420406080100120140160

21、180200220240260280300320340命中#:1 輸入:153122 譜庫:NIST05.LIB SI:42式:C23H48O4S2 CAS:123390-11-4組分名稱:d-Lyxose, dinonyl mercaptal摩爾質量:452保留指數(shù):347510033143SHO HOS4169133OH OH852717320311527515910120命中#:2 SI:40406080100120140160180200220240260280300320340輸入:153121譜庫:NIST05.LIB式:C23H48O4S2 CAS:123390-15-8摩爾質量

22、:452保留指數(shù):3475組分名稱:d-Ribose, dinonyl mercaptal1004333141SSOH OH OH OH697027133173275851152039815921520406080100120140160180200220240260280300320340命中#:3 輸入:109095譜庫:NIST05.LIBSI:39式:C19H42OSi CAS:0-00-0 摩爾質量:314 保留指數(shù):1832組分名稱:5-Ethyl(dimethyl)silyloxypentadecane10041751735987OSi2572851011151433112915

23、720406080100120140160180200220240260280300320340命中#:4 輸入:41159譜庫:NIST05.LIBSI:39式:C12H24O2 CAS:54889-60-0 摩爾質量:200 保留指數(shù):1297組分名稱:Hexanoic acid, 2-ethyl-2-propyl-, methyl ester $ Methyl 2-ethyl-2-propylhexanoate #$1005741O 8571141115O158991711293120406080100120140160180200220240260280300320340命中#:5 輸

24、入:93033 譜庫:NIST05.LIBSI:39式:C17H38OSi CAS:0-00-0 摩爾質量:286組分名稱:1-Ethyl(dimethyl)silyloxytridecane保留指數(shù):16971002577541OSi57892711113112920406080100120140160180200220240260280300320340<< 目標組分 >>行號#:4保留時間:6.992(掃描數(shù)#:480) 質量峰:170原始模式:平均 6.983-7.000(479-481)背景模式:峰校準 組 1 -1基峰:39.95(66)1004073141

25、58492453221181752079231522334513218523799167257270 2822981030507090110130150170190210230250270290310330命中#:1 輸入:63710譜庫:NIST05.LIBSI:31式:C12H18N2OS CAS:0-00-0 摩爾質量:238 保留指數(shù):2014組分名稱:Thiourea, 1,1-diethyl-3-(3-methoxyphenyl)-1004458207122NHN8816572S39132150238O3310810305070901101301501701902102302502

26、70290310330命中#:2 輸入:12929譜庫:NIST05s.LIBSI:30式:C3H3BrN2S CAS:3034-22-8 摩爾質量:178 保留指數(shù):1262組分名稱:2-Amino-5-bromothiazole $ 2-Thiazolamine, 5-bromo- $ 5-Bromo-1,3-thiazol-2-amine # $1009957Br1808255SNNH2136274012312182931030507090110130150170190210230250270290310330命中#:3 輸入:4802譜庫:NIST05.LIBSI:30式:C5H10O

27、S CAS:22072-19-1 摩爾質量:118 保留指數(shù):1049組分名稱:2H-Thiopyran-3-ol, tetrahydro- $ 3-Thia-1-cyclohexanol $ Tetrahydrothiopyran-3-ol $ Thiopyran-100118OH6141748527100S151030507090110130150170190210230250270290310330命中#:4 輸入:58584 譜庫:NIST05.LIBSI:30式:C11H23NO2Si CAS:0-00-0 摩爾質量:229 保留指數(shù):1526組分名稱:Cyclohexane, 1-

28、acetamido-4-trimethylsilyloxy-, trans-1006073116O43OSi132NH10196155170214391030507090110130150170190210230250270290310330命中#:5 輸入:17746 譜庫:NIST05.LIBSI:30式:C8H16OSi CAS:42161-96-6 摩爾質量:156 保留指數(shù):772組分名稱:1-Cyclopropyl-1-(trimethylsilyloxy)ethylene $ (1-Cyclopropylvinyl)oxy(trimethyl)silane # $10073141

29、SiO9915645593985115127271030507090110130150170190210230250270290310330<< 目標組分 >>行號#:5保留時間:7.275(掃描數(shù)#:514) 質量峰:169原始模式:平均 7.267-7.283(513-515)背景模式:峰校準 組 1 -1基峰:43.95(140)1004411043731321521252899217923519765297317246 2562763342191030507090110130150170190210230250270290310330命中#:1 輸入:85337

30、 譜庫:NIST05.LIBSI:37式:C4H4Br2O4 CAS:608-36-6 摩爾質量:274 保留指數(shù):1596組分名稱:Butanedioic acid, 2,3-dibromo-, (R*,S*)- $ 2,3-Dibromosuccinic acid # $1004480BrO150HOOH26133OBr105812293179195691671030507090110130150170190210230250270290310330命中#:2 輸入:54687 譜庫:NIST05.LIBSI:37式:C9H13N5O2 CAS:0-00-0 摩爾質量:223 保留指數(shù):1

31、795組分名稱:Formamide, hydrazone, N,N,N'-trimethyl-N'-(3-nitro-2-pyridyl)-10017979OO44N223N133NNN5892381061191632241030507090110130150170190210230250270290310330命中#:3 輸入:160916 譜庫:NIST05.LIBSI:37式:C32H39NO10 CAS:51906-00-4 摩爾質量:597 保留指數(shù):4017組分名稱:3-Pyridinecarboxylic acid, 2,7,10-tris(acetyloxy)-

32、1,1a,2,3,4,6,7,10,11,11a-decahydro-1,1,3,6,9-pe10043O41O OO60 73OO27294OO10527991O256O123170151N1030507090110130150170190210230250270290310330命中#:4 輸入:15814 譜庫:NIST05s.LIBSI:37式:C10H15NO3 CAS:5001-33-2 摩爾質量:197 保留指數(shù):1763組分名稱:Metanephrine $ Benzenemethanol, 4-hydroxy-3-methoxy-.alpha.-(methylamino)me

33、thyl- $ Vanillyl a10044HNHO93153O6581125110197OH421381030507090110130150170190210230250270290310330命中#:5 輸入:38485 譜庫:NIST05.LIBSI:36式:C8H12N4O2 CAS:0-00-0 摩爾質量:196保留指數(shù):2086組分名稱:Tetrahydroimidazole-4-carboxylic acid, 5-4-imidazolylmethyl-1008111013743152NNHONHNH1961205993OH411791030507090110130150170

34、190210230250270290310330<< 目標組分 >>行號#:6保留時間:8.125(掃描數(shù)#:616) 質量峰:163原始模式:平均 8.117-8.133(615-617)背景模式:峰校準 組 1 -1基峰:39.95(352)10040143 15713478170283105122296318 32795188262 270208228242345426320406080100120140160180200220240260280300320340命中#:1 輸入:128143 譜庫:NIST05.LIBSI:38式:C22H28N2O2 CAS:

35、0-00-0 摩爾質量:352 保留指數(shù):2988組分名稱:1-(2-Piperidinoethoxy)-2-benzamido-2-phenylethane10098OHN40ON77418511219356210130 14216522420406080100120140160180200220240260280300320340命中#:2 輸入:238 譜庫:NIST05.LIBSI:38式:C2H2N2O CAS:288-37-9 摩爾質量:70 保留指數(shù):629組分名稱:1,2,5-Oxadiazole $ Furazan $ Azoxazole $ 1-Oxa-2,5-diazac

36、yclopentadiene $10040NON702720406080100120140160180200220240260280300320340命中#:3 輸入:68283 譜庫:NIST05.LIBSI:36式:C9H6N6O3 CAS:891-64-5 摩爾質量:246 保留指數(shù):2263組分名稱:1,3,5-Triazine, 2,4,6-tris(cyanomethoxy)- $ 2,2',2''-1,3,5-Triazine-2,4,6-triyltris(oxy)trisac10040NO70N NNON O15235 426994N163191108

37、 121 13020406080100120140160180200220240260280300320340命中#:4 輸入:53335 譜庫:NIST05.LIBSI:36式:C10H11N3O3 CAS:0-00-0 摩爾質量:221保留指數(shù):1859組分名稱:Acetic acid, 2-(acetyl)(2,2-dicyanoethenyl)amino-, ethyl ester10043N40ONO179ON1067715122134659312013420406080100120140160180200220240260280300320340命中#:5 輸入:2548 譜庫:N

38、IST05.LIB SI:36式:C5H3N3 CAS:39805-98-6摩爾質量:105 保留指數(shù):1190組分名稱:2-Cyanosuccinonitrile $ 1,1,2-Ethanetricarbonitrile # $1004078NNN51652610520406080100120140160180200220240260280300320340<< 目標組分 >>行號#:7保留時間:8.325(掃描數(shù)#:640) 質量峰:171原始模式:平均 8.317-8.333(639-641)背景模式:峰校準 組 1 -1基峰:148.10(2024)10014

39、81177713310591514065159176198 211237 247 2582793053173451030507090110130150170190210230250270290310330命中#:1 輸入:14177 譜庫:NIST05.LIBSI:93式:C10H12O CAS:104-46-1 摩爾質量:148 保留指數(shù):1190組分名稱:Benzene, 1-methoxy-4-(1-propenyl)- $ Anisole, p-propenyl- $ p-(1-Propenyl)anisole $ p-Methoxy-100148117771331059139 51O

40、63141030507090110130150170190210230250270290310330命中#:2 輸入:8107譜庫:NIST05s.LIBSI:92式:C10H12O CAS:104-46-1 摩爾質量:148保留指數(shù):1190組分名稱:Benzene, 1-methoxy-4-(1-propenyl)- $ Anisole, p-propenyl- $ p-(1-Propenyl)anisole $ p-Methoxy-10014877105 11713391513963O271030507090110130150170190210230250270290310330命中#:

41、3 輸入:8108譜庫:NIST05s.LIBSI:92式:C10H12O CAS:104-46-1 摩爾質量:148保留指數(shù):1190組分名稱:Benzene, 1-methoxy-4-(1-propenyl)- $ Anisole, p-propenyl- $ p-(1-Propenyl)anisole $ p-Methoxy-100148117771051339151O633927151030507090110130150170190210230250270290310330命中#:4 輸入:8110譜庫:NIST05s.LIBSI:92式:C10H12O CAS:140-67-0 摩爾質量:148保留指數(shù):1172組分名稱:Estragole $ Tarragon $ Anisole, p-allyl- $ Chavicol, O-methyl- $ p-Allylanisole $ p-Methoxya10014812177105133915139O2765151030507090110130150170190210230250270290310330命中#:5 輸入:8109譜庫:NIST05s.LIBSI:91式:C10H12O CAS:140-67-0 摩爾質量:148保留