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1、WW Seminar Tour,Spring 2006,Liquid Chromatography/ Mass Spectrometry Fundamental,Jimmy Chan,WW Seminar Tour,Spring 2006,A general detectorIt can connect with HPLC to separate and get morestructure informationsIt can use in quantitative and qualitative analysis,The Advantage of LC-MS,WW Seminar Tour,
2、Spring 2006,The Limit of LC-MS,Sample must be ionization Ionic compound can motion、transfer and analysis MS must vacuum 离子飞行的平均自由程需最大化 理论上，真空度越高越好 MS must analysis with M/Z,WW Seminar Tour,Spring 2006,Suitable for both ES and APCI Methanol Acetonitrile Water Ethanol Propanol Isopropanol Butanol DMF(
3、1) DMSO(1) Acetone CH2Cl2 CHCl3,Suitable for only APCI Toluene Benzene（2） Hydrocarbons (e.g., Hexane) Styrene （2） CCl4 CS2 Cyclic Hydrocarbons (e.g., Cyclohexane),At lower solvent percentages (10 % or less) under ES conditions These solvents not often used due to environmental health and safety issu
4、es,The Solvent of API-MS,WW Seminar Tour,Spring 2006,The Selection of API Addtive,pH 乙酸，甲酸，TFA，氢氧化铵 一般的缓冲液/离子配对试剂 乙酸铵/甲酸铵 三氟乙酸 (TFA) 七氟丁酸 (HFBA) 四乙基或四丁基氢氧化铵 (TBAH) 阳离子化试剂 20-50 mM的乙酸钠或乙酸钾 一般考虑 挥发性（污染喷雾室，堵塞喷嘴） 导电性（对离子气化过程减少小液滴的形成） 离子配对（进入气相时中和预带电离子）不能使用在HPLC中常使用的磷酸盐，硫酸盐或硼酸盐!,WW Seminar Tour,Spring 20
5、06,The Application of wide-range,Proteomics: Peptide and Protein molecular Weight Peptide Sequence Peptide and Protein Purity Analysis Protein identification,Small Molecular: Medical drug Analysis Drug abuse Analysis Antibacterial drug Analysis Steroid Analysis Structure comformation,WW Seminar Tour
6、,Spring 2006,非挥发性的缓冲盐 挥发性缓冲盐浓度 10 mM (对于 ES )或100 mM (对于 APCI) 用醋酸铵、或甲酸、三氟乙酸（TFA）、七氟丁酸（TFBA）、羟基四丁基胺取代磷酸盐、硫酸盐和硼酸盐。 如果必须使用非挥发性盐，, 使用仅仅阳离子或阴离子部分不挥发的缓冲盐，例如，用醋酸钠而不用磷酸钠。 Formic acid, acetic acid, TFA, ammonium hydroxide挥发性离子对试剂可以使用,The LC method transfer to LC/API-MS method,WW Seminar Tour,Spring 2006,API
7、-Electronspray Ionization,WW Seminar Tour,Spring 2006,API-Chemical Ionization,WW Seminar Tour,Spring 2006,The Characteristic Of API,ESICompound with volitility Compound with thermo unstabilite Ionization form in liquid Besides singal charge, it can form mutiple charges,APCICompound with volitilityCo
8、mpound polarity lower than ESICompound with thermo stabilite Ionization form in gas Only singal charge,WW Seminar Tour,Spring 2006,The Relative Application of LC/MS,WW Seminar Tour,Spring 2006,What is LC/MS?,WW Seminar Tour,Spring 2006,苯基丁氮酮（Phenylbutazone）的API-ES 谱图,Which mode do you get the singal
9、 charge?,基峰: 谱图中最强的离子,M+H+,WW Seminar Tour,Spring 2006,Ginsenoside,Which mode do you get the singal charge?,WW Seminar Tour,Spring 2006,40000,80000,120000,160000,200000,240000,280000,A,16959.09,Assume adduct is a,proton:,M1=(A+n)/n,M2=(A+n+1)/(n+1),Solve for A,Which mode do you get the mutiple-charg
10、e?,肌红蛋白(Myoglobin)的API-ES 谱图,WW Seminar Tour,Spring 2006,Mass Spectrum Concept,反应产物的联机分析结果 a色谱图；b总离子流图；d质谱棒图,3D-Data（R.T、m/z、Intensity）,TIC,WW Seminar Tour,Spring 2006,Raw, Filtered Full, and Condensed Data,Abund,Abund,Abund,m/z,m/z,m/z,threshold,WW Seminar Tour,Spring 2006,Mass Spectrum,WW Seminar
11、Tour,Spring 2006,Total Ion Chromatography (TIC),WW Seminar Tour,Spring 2006,Increase S/N Subtract background Separate the co-elutionWhat the purpose of EIC? Quantitative !,Extract Ion Chromatography (EIC),EIC 285,TIC,WW Seminar Tour,Spring 2006,The Explain of API Mass Spectrum!,ESI and APCI can supp
12、ly the compound messgaeThe ion depend on additive and condition,Positive M+H+ 酸性条件 M+Na+, M+K+ (有盐时) M+NH4+ 有铵盐缓冲溶液 M+X+ X = 溶剂或缓冲溶液中的阳离子 2M+H+ 在高浓度时形成的二聚体 M+H+S+ 溶剂添加剂,Negative M-H- 碱性条件 M+X- X =溶剂或缓冲溶液中的阴离子 M-H+S-溶剂添加剂,WW Seminar Tour,Spring 2006,What is the Collision-Induced Dissonciation(CID)?,通
13、过与中性分子碰撞将能量传递给离子的过程。能量传递足以导致键的开裂和所选离子的重排。,WW Seminar Tour,Spring 2006,The CID in API Transition region,这是什么?利用 API-MS 的传输区的电场在中压区(0.01 - 1 torr)碰撞激活离子来产生CID质谱图。硬件:,WW Seminar Tour,Spring 2006,The Process of HED and EM,WW Seminar Tour,Spring 2006,Introducing the Agilent 6130 Singal Quadrupole Mass Sp
14、ectrometer,WW Seminar Tour,Spring 2006,6300 Series Ion Trap LC/MS,6210 Time-of-Flight LC/MS,6510 Quadrupole Time-of-Flight LC/MS,New QQQ,New QTOF,6410 Triple Quadrupole LC/MS,New Agilent 6000 LC/MS Series A new and expanded portfolio for applications from life science to chemical analysis, combining
15、 exceptional performance and legendary Agilent reliability,Updated Ion Trap Family,Updated TOF,WW Seminar Tour,Spring 2006,Lassen LC/MS Singal Quadrupole system introduction,WW Seminar Tour,Spring 2006,Atmosphere Pressure Ionization -Mass Spectrometry (API-MS),API-MS is usde for analysis liquid samp
16、les that introduce by HPLC、 FIA and Infusion.Application in wide mass range.1pg sensitiveity limit.,WW Seminar Tour,Spring 2006,6100 Series SQ: 6110、6120、6130 and 6140,1. Entry Level (10 to 1500amu) p/n G6110AA 2. Mid-range (POS/NEG, 10 to 1500amu) p/n G6120AA 3. Research (2 to 3000amu) p/n G6130AA 4. Research (fast scan, 10 to 1350amu) p/n G6140AA,
