202110测样晟沅依兰

1、色谱图 F:20150330测样依兰1.qgdTIC573,27710.020.030.040.045.min峰表 TIC峰高474315204144131895115917675557543214487446204202677957113482433723119821528160013141535134920551674139116961265154010651906119216901259184812252161206920701949211015851176148410611585143919081592116114621957242822741221254117882048191416

2、1513281829296008峰号123456789101112131415161718192021222324252627282930313233343536373839404142434445464748495051525354555657585960保留时间3.6864.7315.6366.8897.1758.4028.5809.1239.31712.25812.37712.52512.61112.73313.37513.62513.85614.47815.06515.95016.47516.63316.84216.98317.76420.23320.35321.79222.10122

3、.65823.73924.02524.59025.05825.23327.38327.52332.76332.97533.13333.90834.04934.54235.35836.41737.13737.54239.67540.57541.21741.36441.49941.60041.74341.79241.86743.60843.73444.88345.026I.Time 3.6584.6585.5926.8587.1588.3338.5509.0929.22512.20812.30812.43312.55012.72513.22513.50813.70014.41715.04215.9

4、3316.45816.61716.82516.96717.74220.21720.29221.77522.00822.63323.58324.00824.56725.04225.20027.35827.50032.72532.93333.11733.89233.99234.52535.34236.40037.11737.51739.65840.55841.20041.34241.40041.51741.61741.76741.84243.56743.71744.86745.008F.Time 3.7174.7835.7256.9087.3088.4338.6179.1509.36712.308

5、12.43312.55012.72512.80013.50813.64213.95814.53315.24216.03316.61716.82516.96717.05017.95820.29220.52522.00822.18322.77523.75824.13324.75825.16725.29227.50027.62532.93333.11733.24233.99234.06734.72535.52536.56737.21737.60039.85040.78341.34241.40041.51741.61741.76741.84241.90843.71743.77545.00845.117

6、峰面积76233825838184373959957004119941034258843664110534812533829819110556197063122521112476346106766953109211378658845096102653358109527074115107115116253445122005514687782917552156341498778164198395285807717869064733197877210465114054870109135128112034880439494773191524866941368983峰面积%峰高% 1.605.144.8

7、70.640.390.601.881.840.492.526.909.0519.291.6311.390.407.270.540.440.520.460.690.570.470.570.430.520.360.640.400.570.430.620.410.730.700.700.660.710.540.400.500.360.540.490.640.540.390.490.660.820.770.410.860.600.690.650.550.450.62100.00积/高度1.612.522.651.975.173.962.161.904.064.925.164.685.222.195.8

8、410.235.173.978.124.538.106.713.513.666.052.657.116.646.045.976.882.746.604.503.184.013.658.027.104.933.572.668.094.876.043.392.017.567.165.832.014.804.204.412.732.154.951.983.953.66标记名称0.562.792.790.270.440.510.880.760.432.687.709.1621.780.7714.390.898.130.460.780.510.801.010.430.370.750.250.800.52

9、0.840.520.850.250.890.400.500.610.551.141.090.570.310.290.630.560.630.470.230.640.760.830.360.800.370.820.360.320.690.230.380.49100.00VVV V V VVV V VVV VV V VV VVV谱库3.6864.7315.6366.8897 17588.4508209.311273121.22538771.27135232.561113 1632537513.85614.47815.06515.95016.6735316.98843217.76420.325332

10、1.79222.10122.65823.73924.02524.59025.2538327.582332.9673533.13334.0048934.54235.35836.41737.13737.54239.67540.57541.2316741.6470940931.78962743.670384445.08236行号#:1保留时间:3.683(扫描数#:143) 质量峰:179原始模式:平均 3.675-3.692(142-144)背景模式:峰校准 组 1 -1基峰:122.10(879)10012210777911524666194 204 2132532671301742352853

11、173063351030507090110130150170190210230250270290310330命中#:1 输入:4167谱库:NIST05s.LIBSI:78式:C8H10O CAS:104-93-8 摩尔质量:122保留指数:983组分名称:Benzene, 1-methoxy-4-methyl- $ Anisole, p-methyl- $ p-Cresol methyl ether $ p-Methoxytoluene $10012277107915139O2763141030507090110130150170190210230250270290310330命中#:2 输

12、入:5505谱库:NIST05.LIBSI:77式:C8H10O CAS:1728-32-1摩尔质量:122 保留指数:951组分名称:1,3,5-Cycloheptatriene, 1-methoxy- $ 1-Methoxy-1,3,5-cycloheptatriene # $10012291O77107395165261030507090110130150170190210230250270290310330命中#:3 输入:5511谱库:NIST05.LIBSI:77式:C8H10O CAS:95-87-4 摩尔质量:122 保留指数:1127组分名称:Phenol, 2,5-dime

13、thyl- $ 2,5-Xylenol $ p-Xylenol $ 1-Hydroxy-2,5-dimethylbenzene $ 1,2,5-Xylen100107 122OH779139512765151030507090110130150170190210230250270290310330命中#:4 输入:5514谱库:NIST05.LIBSI:77式:C8H10O CAS:104-93-8 摩尔质量:122 保留指数:983组分名称:Benzene, 1-methoxy-4-methyl- $ Anisole, p-methyl- $ p-Cresol methyl ether $

14、p-Methoxytoluene $1001221077791O51392765151030507090110130150170190210230250270290310330命中#:5 输入:4171谱库:NIST05s.LIBSI:77式:C8H10O CAS:578-58-5 摩尔质量:122 保留指数:983组分名称:Benzene, 1-methoxy-2-methyl- $ Anisole, o-methyl- $ o-Cresol methyl ether $ o-Cresyl methyl et100122O10791773951652610305070901101301501

15、70190210230250270290310330行号#:2保留时间:4.733(扫描数#:269) 质量峰:189原始模式:平均 4.725-4.742(268-270)基峰:71.05(1292)背景模式:峰校准 组 1 -11007141439369105121136150175243265 274301 312162189 1982203231030507090110130150170190210230250270290310330命中#:1 输入:16974 谱库:NIST05.LIBSI:86式:C10H18O CAS:78-70-6 摩尔质量:154 保留指数:1082组分名称

16、:1,6-Octadien-3-ol, 3,7-dimethyl- $ .beta.-Linalool $ Linalol $ Linalool $ Linalyl alcohol $100714193OH69121271361071030507090110130150170190210230250270290310330命中#:2 输入:9402 谱库:NIST05s.LIBSI:86式:C10H18O CAS:78-70-6 摩尔质量:154 保留指数:1082组分名称:1,6-Octadien-3-ol, 3,7-dimethyl- $ .beta.-Linalool $ Linalol

17、 $ Linalool $ Linalyl alcohol $1007193OH4169121271361071030507090110130150170190210230250270290310330命中#:3 输入:18841 谱库:NIST05s.LIBSI:84式:C14H24O2 CAS:78-35-3 摩尔质量:224 保留指数:1407组分名称:Linalyl isobutyrate $ 1,5-Dimethyl-1-vinyl-4-hexenyl isobutyrate $ Propanoic acid, 2-methyl-, 11009341O69O7127121136107

18、1521030507090110130150170190210230250270290310330命中#:4 输入:85270 谱库:NIST05.LIBSI:83式:C17H23NO2 CAS:7149-26-0 摩尔质量:273 保留指数:2157组分名称:1,6-Octadien-3-ol, 3,7-dimethyl-, 2-aminobenzoate $ Anthranilic acid, 1,5-dimethyl-1-vinyl-4-hex1004393NH2O41O80691212710513610305070901101301501701902102302502702903103

19、30命中#:5 输入:18656 谱库:NIST05s.LIBSI:83式:C15H26O CAS:142-50-7 摩尔质量:222 保留指数:1564组分名称:1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, S-(Z)- $ 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl100414369HO937110739121 1361611030507090110130150170190210230250270290310330行号#:3保留时间:5.633(扫描数#:377) 质量峰:167原始模式:平均 5.625-5

20、.642(376-378)基峰:108.05(3057)背景模式:峰校准 组 1 -11001089143791506541118 127158 168188227249276 290 3003162073321030507090110130150170190210230250270290310330命中#:1 输入:8397 谱库:NIST05s.LIBSI:92式:C9H10O2 CAS:140-11-4 摩尔质量:150 保留指数:1160组分名称:Acetic acid, phenylmethyl ester $ Acetic acid, benzyl ester $ .alpha.-

21、Acetoxytoluene $ Benzyl100108O91O43150796539141030507090110130150170190210230250270290310330命中#:2 输入:8398 谱库:NIST05s.LIBSI:92式:C9H10O2 CAS:140-11-4 摩尔质量:150 保留指数:1160组分名称:Acetic acid, phenylmethyl ester $ Acetic acid, benzyl ester $ .alpha.-Acetoxytoluene $ Benzyl100108O91O43150796539271030507090110

22、130150170190210230250270290310330命中#:3 输入:14753 谱库:NIST05.LIBSI:91式:C9H10O2 CAS:140-11-4 摩尔质量:150 保留指数:1160组分名称:Acetic acid, phenylmethyl ester $ Acetic acid, benzyl ester $ .alpha.-Acetoxytoluene $ Benzyl100108O9143O150796539141030507090110130150170190210230250270290310330命中#:4 输入:8399 谱库:NIST05s.L

23、IBSI:89式:C9H10O2 CAS:140-11-4 摩尔质量:150 保留指数:1160组分名称:Acetic acid, phenylmethyl ester $ Acetic acid, benzyl ester $ .alpha.-Acetoxytoluene $ Benzyl100108OO9143150796539291030507090110130150170190210230250270290310330命中#:5 输入:15192 谱库:NIST05.LIBSI:85式:C8H9NO2 CAS:621-84-1 摩尔质量:151 保留指数:1303组分名称:Benzyl

24、carbamate $ Carbamic acid benzyl ester $ Carbamic acid, phenylmethyl ester $ Benzyl carb100108ONH291O7915151653927151030507090110130150170190210230250270290310330行号#:4保留时间:6.892(扫描数#:528) 质量峰:172原始模式:平均 6.883-6.900(527-529)背景模式:峰校准 组 1 -1基峰:39.95(191)1004057109177255 2692818012514113933730141193 204

25、 217238315166228205080110140170200230260290320350380410440命中#:1 输入:101871 谱库:NIST05.LIBSI:39式:C13H7F5N2O CAS:300716-92-1 摩尔质量:302 保留指数:1848组分名称:2,3,4,5,6-Pentafluoro-N-(6-methyl-2-pyridyl)benzamide $ 2,3,4,5,6-Pentafluoro-N-(6-methyl-2-pyri10040195255FFF167274NHN11792F6544302135FO8098196331481682050

26、80命中#:2 输入:63493110140170200230260290320350380410440谱库:NIST05.LIBSI:38式:C9H13F3N2O2 CAS:0-00-0 摩尔质量:238保留指数:1270组分名称:2-Pyrazoline-1-carboxaldehyde, 5-trifluoromethyl-5-hydroxy-3-(1,1-dimethylethyl)-10014119557OH F23885169NN41126111 124FFO82342157196223237205080110140170200230260290320350380410440命中#

27、:3 输入:5813 谱库:NIST05.LIBSI:38式:C8H12O CAS:64149-38-8 摩尔质量:124 保留指数:940组分名称:Spirohexan-4-one, 5,5-dimethyl- $ 5,5-Dimethylspiro2.3hexan-4-one # $1004067811242753O10996205080110140170200230260290320350380410440命中#:4 输入:152166谱库:NIST05.LIBSI:38式:C15H14ClF9N2O CAS:339352-85-1 摩尔质量:444 保留指数:1735组分名称:2-4-

28、Chloro-2-(trifluoromethyl)anilino-1,1,1,3,3,3-hexafluoro-2-isovaleramidopropane $ N-1-4-10057FFFFF NHFNH FFO41F8534327443Cl4441951971793247533125148 160291100221205080110140170200 谱库:NIST05.LIB230260290320350380410440命中#:5 输入:121227SI:38式:C12H19IO3 CAS:0-00-0 摩尔质量:338保留指数:1979组分名称:2-t-Butyl-4a-iodoh

29、exahydrobenzo1,3dioxin-4-one1004181OIO571252720853O97128H225281153205080110140170200230260290320350380410440行号#:5保留时间:7.175(扫描数#:562) 质量峰:160原始模式:平均 7.167-7.183(561-563)背景模式:峰校准 组 1 -1基峰:39.95(127)10040160246954310718026129815328279192219127316 329 339 3505720406080100 120 140 160180 200220 240 2602

30、80 300 320 340 360 380命中#:1 输入:103589 谱库:NIST05.LIBSI:32式:C22H24O CAS:0-00-0 摩尔质量:304 保留指数:2503组分名称:Cyclopentane, 1-diphenylmethylene-3-(3-oxobutyl)-1004391304167115246191231286142205129168772582184127O6520406080100 120 140160 180 200220 240 260280 300 320 340 360 380命中#:2 输入:67384 谱库:NIST05.LIBSI:3

31、1式:C13H12N2O3 CAS:303771-40-6 摩尔质量:244保留指数:2129组分名称:Furan, 2-methyl-5-(2-methyl-3-nitrophenyliminomethyl)- $ 2-Methyl-N-(E)-(5-methyl-2-furyl)methy10043O79NON3924410765154O891851281451974011516822820406080100 120 140 160 180 200 220 240260 280 300 320 340 360380命中#:3 输入:19665 谱库:NIST05.LIBSI:30式:C11

32、H12O CAS:69649-19-0 摩尔质量:160 保留指数:976组分名称:Pentacyclo6.3.0.0(2,7).0(4,11).0(5,9)undecan-3-one1009539668216051117O1451321033720406080100 120 140 160 180 200 220 240260 280 300 320 340 360380命中#:4 输入:147461 谱库:NIST05.LIBSI:30式:C19H18N4O5S CAS:59534-88-2 摩尔质量:414 保留指数:3661组分名称:N-(2,6-Dimethoxy-4-pyrimid

33、inyl)-4-(salicylideneamino)benzenesulfonamide $ N-(2,6-Dimethoxy-4-pyr1004323165O39NH S ON246NO92NHO14713936195196O7710834916720406080100 120 140 160 180 200220 240 260 280 300 320340 360 380命中#:5 输入:141344 谱库:NIST05.LIBSI:30式:C17H13IN2O CAS:0-00-0 摩尔质量:388组分名称:N-(5-Amino-1-naphthyl)-4-iodobenzamide

34、保留指数:3134100231O7652NH40104I130203157573NH29112026220406080100120 140 160180200220 240260 280 300 320 340 360 380行号#:6保留时间:8.400(扫描数#:709) 质量峰:184原始模式:平均 8.392-8.408(708-710)背景模式:峰校准 组 1 -1基峰:104.10(85)100711049056237269343117177210160306 3172473281312094614318429340350204060801001201401601802002202

35、40260280300320340360命中#:1 输入:82973谱库:NIST05.LIBSI:33式:C12H18N2O3S CAS:346662-35-9摩尔质量:270 保留指数:2357组分名称:Ethanamine, 2-4-(4-morpholylsulfonyl)phenyl- $ 2-4-(4-Morpholinylsulfonyl)phenylethanamine #1008616356269O SO ON241NH2437211817710321022625339132151189204060801001201401601802002202402602803003203

36、40360命中#:2 输入:98210 谱库:NIST05.LIBSI:33式:C10H8N4O3S2 CAS:0-00-0 摩尔质量:296 保留指数:0组分名称:5-Methylsulfanyl-1,2,3thiadiazole-4-carboxamide, N-(3-nitrophenyl)-100103NSN8845SNHOON O642962207613126716520420406080100120140160180200220240260280300320340360命中#:3 输入:46257 谱库:NIST05.LIBSI:32式:C10H11NO2

37、S CAS:42607-21-6 摩尔质量:209 保留指数:1939组分名称:4-Thiazolidinecarboxylic acid, 2-phenyl- $ 2-Phenyl-4-thiazolidinecarboxylic acid $4-Carboxy-2100117137O104HOHN S77911645120959176392721014620406080100120140160180200220240260280300320340360命中#:4 输入:139538 谱库:NIST05.LIBSI:32式:C20H22N4O4 CAS:0-00-0 摩尔质量:382组分名称

38、:Hexane, 1,6-bis(3-nitrobenzylidenamino)-保留指数:33851001174190O23355NONONO365N16321917739691042057714913519120406080100120140160180200220240260280300320340360命中#:5 输入:77727 谱库:NIST05.LIBSI:32式:C15H19NO3 CAS:0-00-0 摩尔质量:261 保留指数:0组分名称:3-Ethoxycarbonyl-5,5-dimethyl-2-phenyl-1-pyrroline, 1-oxide100104O14

39、56886O115261158 17239NO4218820406080100120140160180200220240260280300320340360行号#:7保留时间:8.583(扫描数#:731) 质量峰:156原始模式:平均 8.575-8.592(730-732)基峰:69.05(1087)背景模式:峰校准 组 1 -11006941934380121136107179193 203 2132362582731642923183063313391030507090110130150170190210230250270290310330命中#:1 输入:38898 谱库:NIST0

40、5.LIBSI:84式:C12H20O2 CAS:141-12-8 摩尔质量:196 保留指数:1352组分名称:2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)- $ Nerol acetate $ Neryl acetate $ (2Z)-3,7-Dim10069OO41439380121136271071541030507090110130150170190210230250270290310330命中#:2 输入:15686 谱库:NIST05s.LIBSI:82式:C12H20O2 CAS:141-12-8 摩尔质量:196 保留指数:13

41、52组分名称:2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)- $ Nerol acetate $ Neryl acetate $ (2Z)-3,7-Dim10069OO41439380121271361071541030507090110130150170190210230250270290310330命中#:3 输入:15685 谱库:NIST05s.LIBSI:82式:C12H20O2 CAS:141-12-8 摩尔质量:196 保留指数:1352组分名称:2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,

42、(Z)- $ Nerol acetate $ Neryl acetate $ (2Z)-3,7-Dim10069OO41439380136121271071541030507090110130150170190210230250270290310330命中#:4 输入:38903 谱库:NIST05.LIBSI:82式:C12H20O2 CAS:25905-14-0 摩尔质量:196 保留指数:1270组分名称:4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, acetate $ 2-Isopropenyl-5-methyl-4-hexenyl acet

43、ate10069O439341O12113680107271030507090110130150170190210230250270290310330命中#:5 输入:18842 谱库:NIST05s.LIBSI:81式:C14H24O2 CAS:2345-26-8 摩尔质量:224 保留指数:1486组分名称:Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)- $ Isobutyric acid, 3,7-dimeth1006941O93O71121271361071541030507090110130150170190210230250270290310330行号#:8保留时间:9.125(扫描数#:796) 质量峰:170原始模式:平均 9.117-9.133(795-797)背景模式:峰校准 组 1 -1基峰:41.05(338)10041931336979105 1201485516320717925724031422327029318933034320406