教程讲稿202110测样柠檬

1、色谱图 F:20150401测样柠檬.qgdTIC34,993,95510.020.030.040.050.0min峰表 TIC峰高2811811703521007344216542735053235721344713944386701754845364236869792261455230775577506525863947880375464284802759751111356402954492552099311995861209034374068178774568412490322040898512589019497924677969240672峰号123456789101112131415

2、16171819202122232425262728293031323334保留时间2.5962.6752.7432.8452.8972.9333.0753.1313.3293.4583.5083.8243.9924.0594.3104.4284.6964.7844.9395.0865.6996.0276.1986.3797.0237.3637.7868.24211.35512.03313.12313.78116.43822.136I.Time 2.5672.6422.6922.7922.8672.9173.0583.0923.1833.4173.4833.7583.9084.0424.275

3、4.3924.6504.7504.9005.0425.6505.9676.1006.2586.9587.2927.7178.16711.26711.94213.03313.70816.35822.050F.Time 2.6422.6922.7922.8672.9173.0583.0923.3.4173.4833.5833.9084.0424.1174.3584.4754.7504.8254.9925.1335.7586.1006.2586.4587.1177.5087.8928.40011.45812.13.22513.87516.56722.250峰面积4710362885092617951

4、478056149108194541796568458峰面积%峰高% 0.410.251.453.1350.630.100.680.6325.340.090.133.273.330.110.080.060.120.070.070.090.160.580.070.300.291.750.542.580.991.300.590.180.280.36100.00积/高度1.681.692.602.211.407.511.212.821.983.302.642.072.131.972.092.183.072.082.552.382.572.724.123.083.213.243.583.363.843

5、.894.164.195.244.37标记名称0.360.222.013.68V V V37.770.420.44.9526.780.160.183.603.780.120.080.070.190.070.090.110.220.840.160.500.493.011.034.612.02.701.310.410.790.83100.00V V V V V3481728421196722981846828414913996152619110112859152466189640912266914218528648210945162026926461736413333915129134080559

6、996522624715V VVV V170307152723710225791079558130018864谱库<< 目标组分 >>行号#:1保留时间:2.592(扫描数#:12)质量峰:191原始模式:平均 2.583-2.600(11-13)背景模式:峰校准 组 1 -1基峰:93.10(70567)1009377136536912140107147159179187199220244260 271292 30032134520406080100120140160180200220240260280300320340命中#:1 输入:9594 谱库:NIST05.

7、LIBSI:94式:C10H16 CAS:99-83-2 摩尔质量:136 保留指数:969组分名称:.alpha.-Phellandrene $ 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)- $ p-Menthadiene (-)-) $10093771364127516511910520406080100120140160180200220240260280300320340736975.9102333158453.329.45082.897.0335.9892942.432180.976389946.0865.6996.1092876.3

8、797.0237.3637.7868.24211.35512.03313.12313.78116.43822.136<< 目标组分 >>行号#:1保留时间:2.592(扫描数#:12) 质量峰:191原始模式:平均 2.583-2.600(11-13)背景模式:峰校准 组 1 -1基峰:93.10(70567)1009377136536910712140147 159179187 199220244260 271292 30032134520406080100120140160180200220240260280300320340命中#:2 输入:9578 谱库:NIS

9、T05.LIBSI:93式:C10H16 CAS:555-10-2 摩尔质量:136 保留指数:964组分名称:.beta.-Phellandrene $ Cyclohexene, 3-methylene-6-(1-methylethyl)- $ p-Mentha-1(7),2-diene $ Ph100937713641276512110720406080100120140160180200220240260280300320340命中#:3 输入:6300 谱库:NIST05s.LIBSI:93式:C10H16 CAS:555-10-2 摩尔质量:136 保留指数:964组分名称:.bet

10、a.-Phellandrene $ Cyclohexene, 3-methylene-6-(1-methylethyl)- $ p-Mentha-1(7),2-diene $ Ph100937713641652712110520406080100120140160180200220240260280300320340命中#:4 输入:6299 谱库:NIST05s.LIBSI:93式:C10H16 CAS:555-10-2 摩尔质量:136 保留指数:964组分名称:.beta.-Phellandrene $ Cyclohexene, 3-methylene-6-(1-methylethyl)

11、- $ p-Mentha-1(7),2-diene $ Ph100937741136276512110520406080100120140160180200220240260280300320340命中#:5 输入:6309 谱库:NIST05s.LIBSI:93式:C10H16 CAS:2867-05-2 摩尔质量:136 保留指数:902组分名称:Bicyclo3.1.0hex-2-ene, 2-methyl-5-(1-methylethyl)- $ 3-Thujene $ .alpha.-Thujene $ Origanene1009377412713665105121204060801

12、00120140160180200220240260280300320340<< 目标组分 >>行号#:2保留时间:2.675(扫描数#:22) 质量峰:155原始模式:平均 2.667-2.683(21-23)背景模式:峰校准 组 1 -1基峰:93.10(22921)100937713612141105536740148 162 175191208 217 232249279 291307 3193351030507090110130150170190210230250270290310330命中#:1 输入:9595谱库:NIST05.LIBSI:95式:C10H

13、16 CAS:13466-78-9 摩尔质量:136 保留指数:948组分名称:3-Carene $ Bicyclo4.1.0hept-3-ene, 3,7,7-trimethyl- $ .delta.(Sup3)-Carene $ 3,7,7-Trimethyl10093791211051364167271030507090110130150170190210230250270290310330命中#:2 输入:6310 谱库:NIST05s.LIBSI:94式:C10H16 CAS:13466-78-9 摩尔质量:136 保留指数:948组分名称:3-Carene $ Bicyclo4.1

14、.0hept-3-ene, 3,7,7-trimethyl- $ .delta.(Sup3)-Carene $ 3,7,7-Trimethyl100937741121 13627105671030507090110130150170190210230250270290310330命中#:3 输入:6315 谱库:NIST05s.LIBSI:94式:C10H16 CAS:13466-78-9 摩尔质量:136 保留指数:948组分名称:3-Carene $ Bicyclo4.1.0hept-3-ene, 3,7,7-trimethyl- $ .delta.(Sup3)-Carene $ 3,7,

15、7-Trimethyl10093791361214110527671030507090110130150170190210230250270290310330命中#:4 输入:9598 谱库:NIST05.LIBSI:94式:C10H16 CAS:498-15-7 摩尔质量:136 保留指数:948组分名称:Bicyclo4.1.0hept-3-ene, 3,7,7-trimethyl-, (1S)- $ 3,7,7-Trimethylbicyclo4.1.0hept-3-ene # $100937712113641105276710305070901101301501701902102302

16、50270290310330命中#:5 输入:6319 谱库:NIST05s.LIBSI:94式:C10H16 CAS:488-97-1 摩尔质量:136 保留指数:729组分名称:Tricyclo2.2.1.0(2,6)heptane, 1,3,3-trimethyl- $ Cyclofenchene $1009379391212710513653651030507090110130150170190210230250270290310330<< 目标组分 >>行号#:3保留时间:2.742(扫描数#:30) 质量峰:188原始模式:平均 2.733-2.750(29

17、-31)背景模式:峰校准 组 1 -1基峰:121.10(138421)1009312113677105416540154140176 190207223249 257279 287 299316335 34720406080100120140160180200220240260280300320340命中#:1 输入:6331 谱库:NIST05s.LIBSI:95式:C10H16 CAS:99-86-5 摩尔质量:136 保留指数:998组分名称:1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- $ .alpha.-Terpinen $ .al

18、pha.-Terpinene $ p-Men100931211367710541652720406080100120140160180200220240260280300320340命中#:2 输入:9616 谱库:NIST05.LIBSI:94式:C10H16 CAS:29050-33-7 摩尔质量:136 保留指数:919组分名称:(+)-4-Carene $ 4,7,7-Trimethylbicyclo4.1.0hept-2-ene # $100931211367941105673620406080100120140160180200220240260280300320340命中#:3

19、输入:9615 谱库:NIST05.LIBSI:94式:C10H16 CAS:554-61-0 摩尔质量:136 保留指数:948组分名称:Bicyclo4.1.0hept-2-ene, 3,7,7-trimethyl- $ 2-Carene $ (+)-2-Carene $ 3,7,7-Trimethylbicyclo100931211367941105276720命中#:4 SI:93406080100120140160180200220240260280300320340输入:9637 谱库:NIST05.LIB式:C10H16 CAS:99-86-5 摩尔质量:136 保留指数:998

20、组分名称:1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- $ .alpha.-Terpinen $ .alpha.-Terpinene $ p-Men10012193136273977431056520命中#:5 SI:93406080100120140160180200220240260280300320340输入:6335 谱库:NIST05s.LIB式:C10H16 CAS:586-62-9 摩尔质量:136 保留指数:1052组分名称:Cyclohexene, 1-methyl-4-(1-methylethylidene)- $ p-Me

21、ntha-1,4(8)-diene $ Terpinolen $ Terpinole100931211367941271056720406080100120140160180200220240260280300320340<< 目标组分 >>行号#:4保留时间:2.842(扫描数#:42) 质量峰:170原始模式:平均 2.833-2.850(41-43)背景模式:峰校准 组 1 -1基峰:119.10(527214)1001191349165 771035140149 158180 191 200217225245253271 284301 314 324103050

22、7090110130150170190210230250270290310330 命中#:1 输入:5934 谱库:NIST05s.LIBSI:95式:C10H14 CAS:527-84-4 摩尔质量:134 保留指数:1042组分名称:Benzene, 1-methyl-2-(1-methylethyl)- $ o-Cymene $ o-Cymol $ o-Isopropyltoluene $ 1-Isopropyl-1001191349141776510327511030507090110130150170190210230250270290310330命中#:2 输入:5930 谱库:N

23、IST05s.LIBSI:95式:C10H14 CAS:535-77-3 摩尔质量:134 保留指数:1042组分名称:Benzene, 1-methyl-3-(1-methylethyl)- $ m-Cymene $ .beta.-Cymene $ m-Cymol $ m-Isopropyltoluen100119134913965 7751103271030507090110130150170190210230250270290310330命中#:3 输入:8931 谱库:NIST05.LIBSI:94式:C10H14 CAS:535-77-3 摩尔质量:134 保留指数:1042组分名称

24、:Benzene, 1-methyl-3-(1-methylethyl)- $ m-Cymene $ .beta.-Cymene $ m-Cymol $ m-Isopropyltoluen1001191349165 774151105271030507090110130150170190210230250270290310330 命中#:4 输入:5915 谱库:NIST05s.LIBSI:94式:C10H14 CAS:99-87-6 摩尔质量:134 保留指数:1042组分名称:Benzene, 1-methyl-4-(1-methylethyl)- $ p-Cymene $ p-Cimen

25、e $ p-Cymol $ p-Isopropyltoluene $100119134913965 7751103271030507090110130150170190210230250270290310330命中#:5 输入:8929 谱库:NIST05.LIBSI:94式:C10H14 CAS:874-41-9 摩尔质量:134 保留指数:1119组分名称:Benzene, 1-ethyl-2,4-dimethyl- $ m-Xylene, 4-ethyl- $ 1-Ethyl-2,4-dimethylbenzene $ 1,3-Dimeth100119134917710539516527

26、1030507090110130150170190210230250270290310330<< 目标组分 >>行号#:5保留时间:2.900(扫描数#:49) 质量峰:195原始模式:平均 2.892-2.908(48-50)背景模式:峰校准 组 1 -1基峰:68.05(4051618)100689379136121107415340140167 175 190 199 213 225249 25727630132020406080100120140160180200220240260280300320340命中#:1 输入:9534 谱库:NIST05.LIB S

27、I:93式:C10H16 CAS:19465-02-2摩尔质量:136 保留指数:934组分名称:Cyclobutane, 1,2-bis(1-methylethenyl)-, trans- $ 1,2-Diisopropenylcyclobutane # $10068933953121271077913620406080100120140160180200220240260280300320340命中#:2 输入:6274 谱库:NIST05s.LIBSI:93式:C10H16 CAS:138-86-3 摩尔质量:136 保留指数:1018组分名称:Limonene $ Cyclohexen

28、e, 1-methyl-4-(1-methylethenyl)- $ p-Mentha-1,8-diene $ .alpha.-Limonene10068937912113610753412920406080100120140160180200220240260280300320340命中#:3 输入:9535 谱库:NIST05.LIBSI:93式:C10H16 CAS:5989-27-5 摩尔质量:136 保留指数:1018组分名称:D-Limonene $ Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (R)- $ p-Mentha-1,8-di

29、ene, (R)-(+)- $10068937913612141531072720406080100120140160180200220240260280300320340命中#:4 输入:6275 谱库:NIST05s.LIBSI:92式:C10H16 CAS:5989-27-5 摩尔质量:136 保留指数:1018组分名称:D-Limonene $ Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (R)- $ p-Mentha-1,8-diene, (R)-(+)- $1006893417953121 136107382040608010012014

30、0160180200220240260280300320340命中#:5 输入:6271 谱库:NIST05s.LIBSI:92式:C10H16 CAS:138-86-3 摩尔质量:136 保留指数:1018组分名称:Limonene $ Cyclohexene, 1-methyl-4-(1-methylethenyl)- $ p-Mentha-1,8-diene $ .alpha.-Limonene10068933953792713612110720406080100120140160180200220240260280300320340<< 目标组分 >>行号#:6

31、保留时间:2.933(扫描数#:53) 质量峰:267原始模式:平均 2.925-2.942(52-54)背景模式:峰校准 组 1 -1基峰:331.00(49)1002823311722628957100200233304145319117 12716521527418643482447120406080100120140160180200220240260280300320340命中#:1 输入:110397 谱库:NIST05.LIBSI:26式:C12H10ClF6N CAS:0-00-0 摩尔质量:317 保留指数:1326组分名称:.alpha.-Chloro-.beta.-die

32、thylamino-hexafluorostyrene100215282ClF186FN317117199F262FF1671475622793 10076179F4213626620406080100120140160180200220240260280300320340命中#:2 输入:24859谱库:NIST05s.LIBSI:26式:C20H28N2O2 CAS:15266-55-4 摩尔质量:328 保留指数:2677组分名称:Corynan-17-ol, 10-methoxy- $ 17,18-Secoyohimban-17-ol, 10-methoxy- $ 10-Methoxy

33、dihydrocorynanth100328HONH41200O25557186N2142831431737115529913022797 10731320406080100120140160180200220240260280300320340命中#:3 输入:116922 谱库:NIST05.LIBSI:25式:C17H31NO5 CAS:0-00-0 摩尔质量:329 保留指数:2182组分名称:2-(Heptyl-methyl-carbamoyl)-methyl-malonic acid, diethyl ester10017320144OOOO127N2842957O99256145

34、 155245273297311427218621022630020406080100120140160180200220240260280300320340命中#:4输入:124042 谱库:NIST05.LIBSI:25式:CH3HgI CAS:143-36-2 摩尔质量:344 保留指数:0组分名称:Methylmercuric iodide $ Mercury, iodomethyl- $ Iodomethylmercury $ Methyliodomercury $ Methyl100142344329I127217Hg20212820406080100120140160180200

35、220240260280300320340命中#:5 输入:50052 谱库:NIST05.LIBSI:24式:C13H17N3 CAS:1082-57-1 摩尔质量:215 保留指数:2172组分名称:1H-Imidazol-2-amine, 4,5-dihydro-N-(5,6,7,8-tetrahydro-1-naphthalenyl)- $ Tramazoline $ Imidazo100215HN44NHN185200157 1721281457711591 99276320406080100120140160180200220240260280300320340<< 目

36、标组分 >>行号#:7保留时间:3.075(扫描数#:70) 质量峰:193原始模式:平均 3.067-3.083(69-71)背景模式:峰校准 组 1 -1基峰:45.30(16969)1004558107113138 159 169195215 226242 255273289 303 3163241030507090110130150170190210230250270290310330命中#:1 输入:172 谱库:NIST05.LIBSI:74式:B5H11 CAS:18433-84-6 摩尔质量:66 保留指数:0组分名称:Pentaborane(11) $ Boron

37、 hydride (B5H11) $10060HHHHH B B B HH B B H47HHH13372710命中#:2 SI:7230507090110130150170190210230250270290310330输入:164 谱库:NIST05.LIB式:B5H9 CAS:19624-22-7 摩尔质量:64 保留指数:0组分名称:Pentaborane(9) $ Pentaborane $ UN 1380 $ B5H9 $1005H BH H B H B47B H B H HHH35241030507090110130150170190210230250270290310330命中

38、#:3 输入:156934 谱库:NIST05.LIBSI:63式:C20H32O10S2 CAS:7621-93-4 摩尔质量:496组分名称:D-Fructose, diethyl mercaptal, pentaacetate保留指数:30711006047OOOOS46OOOOSO7197101129113141 154171185O1030507090110130150170190210230250270290310330命中#:4 输入:8700 谱库:NIST05s.LIBSI:61式:C4H8O2S2 CAS:18321-15-8 摩尔质量:152 保留指数:0组分名称:1,2

39、-Dithiane, 1,1-dioxide $ 1,2-Dithiane-1,1-dioxide $1004660OS27152S8839O26731541030507090110130150170190210230250270290310330命中#:5 输入:15359 谱库:NIST05.LIBSI:60式:C4H8O2S2 CAS:18321-15-8 摩尔质量:152 保留指数:0组分名称:1,2-Dithiane, 1,1-dioxide $ 1,2-Dithiane-1,1-dioxide $1004660OS152S8841O7315410310305070901101301

40、50170190210230250270290310330<< 目标组分 >>行号#:8保留时间:3.133(扫描数#:77) 质量峰:153原始模式:平均 3.125-3.142(76-78)背景模式:峰校准 组 1 -1基峰:93.10(50861)100938041431051216713640154168194214236 248264 278 286 299316 326 34120406080100120140160180200220240260280300320340命中#:1 输入:6314 谱库:NIST05s.LIBSI:95式:C10H16 CAS

41、:3338-55-4 摩尔质量:136 保留指数:976组分名称:1,3,6-Octatriene, 3,7-dimethyl-, (Z)- $ .beta.-cis-Ocimene $ cis-.beta.-Ocimene $ cis-3,7-Dime10093794153105121672713620406080100120140160180200220240260280300320340命中#:2 输入:6296 谱库:NIST05s.LIBSI:95式:C10H16 CAS:502-99-8 摩尔质量:136 保留指数:958组分名称:1,3,7-Octatriene, 3,7-dim

42、ethyl- $ Ocimene $ 2,6-Dimethyl-1,5,7-octatriene $ (3E)-3,7-Dimethyl-10093417927531211056713620命中#:3 SI:94406080100120140160180200220240260280300320340输入:6294 谱库:NIST05s.LIB式:C10H16 CAS:3338-55-4 摩尔质量:136 保留指数:976组分名称:1,3,6-Octatriene, 3,7-dimethyl-, (Z)- $ .beta.-cis-Ocimene $ cis-.beta.-Ocimene $

43、cis-3,7-Dime10093417927531211056713620命中#:4 SI:93406080100120140160180200220240260280300320340输入:6316 谱库:NIST05s.LIB式:C10H16 CAS:3779-61-1 摩尔质量:136 保留指数:976组分名称:1,3,6-Octatriene, 3,7-dimethyl-, (E)- $ .beta.-trans-Ocimene $ trans-.beta.-Ocimene $ trans-3,100937941531056712127136204060801001201401601

44、80200220240260280300320340命中#:5 输入:9567 谱库:NIST05.LIBSI:93式:C10H16 CAS:3338-55-4 摩尔质量:136 保留指数:976组分名称:1,3,6-Octatriene, 3,7-dimethyl-, (Z)- $ .beta.-cis-Ocimene $ cis-.beta.-Ocimene $ cis-3,7-Dime10093417927531211056713620406080100120140160180200220240260280300320340<< 目标组分 >>行号#:9保留时间:3.325(扫描数#:100) 质量峰:205原始模式:平均 3.317-3.333(99-101)背景模式:峰校准 组 1 -1基峰:93.10(3462560)1009313677121414010565141 154170191 206222 233265282 294314 3233451030507090110130150170190210230250270290310330命中#:1 输入:9599 谱库:NIST05.LIBSI:97式:C10H16 CAS:99-85-4 摩尔质量:136 保留指数:998组分名称:1,4-Cyclohexadiene, 1-