TimstofMALDI PharmaPulse^®

MPP代表Bruker Pharmapulse的旗舰成员^®生产线。它具有Maldi的极端速度和稳健性，并且在HTS中首次利用了Bruker的创新捕获的离子移动光谱法（TIMS）技术。TIMS通过利用分子碰撞横截面来实现异橡胶甚至异构体的快速气相分离。这与常规的50,000质量分辨率结合在QTOF-MS检测中，使得在HTS速度下具有革命性的测定特异性水平。
TimstofMPP uses a dual MALDI / ESI ion source with industry-leading 10 kHz smartbeam™ 3D laser to enable uHTS compatible speed and throughput, and is available with the unique MALDI-2 option for an expanded chemical space.

As part of the solution, the new MALDI PharmaPulse^®2023年软件支持广泛的HTS应用程序用于药物发现。它的自动化接口允许在高通量环境中集成MPP，并与来自各种供应商的调度软件协同合作。此外，MPP 2023可以将数据和结果无缝传输到下游分析软件，例如GenEdata筛选器^®.

TimstofMPP delivers high-resolution accurate-mass QTOF-MS data at high analysis speed throughout large acquisition campaigns – a key requirement for success in uHTS. Readout of a 1536 formatted sample plate in high-resolution MS or MS/MS mode takes less than 10 minutes, typically (reading rates up to 3 wells / sec). Outstanding data quality is maintained throughout large scale measurements ensuring precise quantitative feature extraction for a broad variety of target molecules ranging from small drug-like compounds up to large sized peptides translating into minimized false discovery rates (FDR).

Mass accuracy monitored for two peptide ions over a time window of more than 5 hours:

在3个数量级浓度范围（0.001 - 1 µm）上获得的泛氧（MW 403 DA）获得的滴定曲线：

Titration curve obtained for ubiquitin (MW 8558 Da) over 2 orders of magnitude concentration range (0.01 – 1 µM):

TIMS能够在时间尺度上分离异构体甚至异构体比SPE的速度明显快（通常为每个分离周期≤1秒），从而可以单独通过质谱法无法区分目标化合物的无干扰定量。

Example:Quantitative MALDI-TIMS-MS analysis of glucose (C₆H₁₂O₆) in presence of isomeric fructose (C₆H₁₂O₆)

在HTS中，靶化合物的定量可能会受到生化或细胞测定中通常存在的复杂样品矩阵的影响。TimStof MPP提供了克服这种背景干扰的独特可能性：引人入胜的离子迁移率光谱法（TIMS）在气相中进行快速分离，并利用高分辨率MS和MS/MS提供的提高特异性，高级MPP操作模式可有效地最小化背景干扰水平导致HTS速度下的定量增强。

Example:Quantitative analysis of a drug-like molecule (MW 543 Da)
Quantitation in MALDI-MS mode is disrupted due to spectral overlap with assay background. Performing the same analysis in MALDI-TIMS-MS/MS mode enables interference-free quantitation of the target molecule.

作为MPP解决方案的一部分，Maldi Pharmapulse 2023软件在早期药物发现中支持了广泛的HTS应用。该软件提供了一个易于使用的界面，用于使用各种TIMSTOF MPP操作模式引人入胜的TIMS和MS/MS，用于无缝设置和执行筛选活动。MPP 2023提供的自动化接口允许在HTS环境中进行系统集成，并与来自各种供应商的自动化计划软件一起合作。此外，MPP 2023可以将数据和结果直接传输到第三方下游分析软件，例如到GenEDATA筛选器^®.

该解决方案的核心是布鲁克的质谱仪，配备了：

• 双maldi / esi ion源
• 机器人Maldi Plate交换的自动加载器
• MALDI-2 (optionally)

Light-weight plate adapters ensure safe handling of MALDI plates by lab robotics during fully automated sample preparation and subsequent data acquisition campaigns.

有成本效益的disposable MALDI sample plates allow for automated MALDI preparation by high-performance liquid handlers in any format ranging from 96 to 1536 and beyond.

为了寻找新药分子，高通量实验（HTE）通过多变量的高通量化学创建了新设计的化合物的广泛库。在此过程中，关键的瓶颈是化学反应产物的快速分析和确认。

TimstofMPP is capable of keeping the pace with HTE chemistry and enables near real-time verification of synthesis products at a high convidence level by measuring multiple physical properties, i.e. accurate molecular mass, isotopic pattern, collisional cross-section (CCS) and, on-demand, CID-MS/MS fragmentation data, reducing HTE feedback time and chemical costs.

MALDI-2, a groundbreaking new technology based on laser post-ionization, enhances the detectability of certain classes of compounds that used to be out of scope of conventional MALDI providing analytical access to an expanded chemical space.