化合物结构的综合解析PPT

Intens. x104 1.5 899.5 1.0
All, 4.9-6.1min (#425-#486)
0.5 321.1 0.0 200
Intens. x105 3
57Байду номын сангаас.3
400
600
800
1000
m/z
All, 14.7-15.0min (#1122-#1138)
913.5
2 590.4 1 321.2 0 200 400 600 800 1000 m/z
7
762.4 750
-
m/z 800
From: Zhang H，Pan YJ， Anal. Biochem 329(2),173, 2004.
TopoI筛选后的LC-MS色谱图
From: Zhang H，Pan YJ， Anal. Biochem 329(2),173, 2004.
A: 反应监控:
4
2
438.2 263.0 337.1 600
512.2 746.4 1077.4
0 500
162.9
658.9 710.4 700 800
806.1 865.1 900
957.6996.1
1135.6 m/z
1000
抗癌生物活性分子筛选
HPLC chromatograms for the screening result by typeⅠDNA topoisomerases: (A) Mixture of selected components; (B) Filtrate from StepⅤ.1. doxorubicin 2. daunorubicin 3. camptothecin；4. 9-NO2 camptothecin； 5. Pravastain
4
350.4
5
121.9 158.1 350.2 425.1 409.1 296.8 321.0 387.5 455.5 508.2 525.3 673.0 698.9 395.4 435.1 787.3
6
溶剂系统杂质
溶剂系统杂质
17.45
23.89
453.1 135.0 159.2 196.1 281.2 200 250 300 350 400 450 452.7 483.2 536.6 552.4 500 550 600 650 700
-
306.1 0 100 % 0 100 % 305.2 0 100 % 0 100 % 0 100 % 0 150 121.1 122.0 159.0 199.9 157.9 321.1
363.1
381.0
528.1
2
365.1
366.2 403.2
729.4750.9
3
349.1 697.3 696.6 394.1 698.4
酶亲合超滤流程图
528.3
Figure 25. (a) ESI-MS before Screening (b) & (c) ESI-MS after Screening (b) is 阿霉素 and (c) is 柔红霉素
From: 潘远江， 张虹， 陈耀祖 科学通报 47,17,1305-1308.
Intens. x106 1.50 913.0 1.25
All, 14.7-15.2min (#1295-#1344)
1.00
0.75
0.50 988.7 0.25 934.6 0.00
600 700 800 900 1000 m/z
1044.5
Intens. x10 5
0.8
0.6
0.4
0.2
1227
No product
生物 亲合超滤HPLC/ESI-MS快速筛选 抗癌活性成分的研究 (2)
筛选前 Before screening
筛选后 after screening
Topo I 待筛选样品的LC-MS色谱图
From: Zhang H，Pan YJ， Anal. Biochem 329(2),173, 2004.
A: 雷帕药物的分析
VWD1 A, Wav elength=277 nm (HUADONG\04101303.D) mAU 20
15
10
5
0.945 1.060 1.367 1.488 1.682 1.869 20.215 5.390
0
0
5
10
15
15.051
20
25
min
Intens. x10 6 5
Intens. x10 4 5 4 3 2 1 0 0.0 2.5 5.0 7.5 10.0 12.5 15.0 17.5 20.0 22.5 Time [min]
New Discover.
Intens. x104 6 570.3
All, 8.1-8.3min (#718-#728), Background Subtracted
100 % 0 100 %
321.1 361.1 379.1 130.0 398.3 321.1 544.2 673.3
峰号.
1
名称
保留时间
[M+1]+ m/z
阿霉素
柔红霉素 10-羟基喜树碱 喜树碱 9-硝基喜树碱
3.54
6.63 7.77 12.36 13.50
544
528 365 349 394
§3: Other Applications of MS
1247
KPAFLKPQFLG
Figure 5
From : Fitzgerald, M. C.; Harris, K.; Shevlin, C. G.; Siuzdak, G. Biorg. Med. Chem. Lett. 1996,6, 979-982.
4
3
New Imp. New Discov.
2
1 0.0 2.5 5.0 7.5 10.0 12.5 15.0 17.5 20.0 22.5 Time [min]
Intens. x10 6 1.5
1.0
0.5
0.0 0.0 2.5 5.0 7.5 10.0 12.5 15.0 17.5 20.0 22.5 Time [min]
0.0 Intens. x10 4
0.0
2.5
5.0
7.5
10.0
12.5
15.0
17.5 All,
5.1-5.6min 20.0 (#449-#490), 22.5Background Subtracted Time [min]
898.6 6
4
2
920.4 824.8 0 500 600 700 800 900 1000 m/z 944.5 974.5 1030.3