MOCCal:用于移动波离子移动性质谱的多原子CCS校准器
Hannah M Hynds1, Kelly M Hines1
1Department of Chemistry, University of Georgia, 302 East Campus Road, Athens, Georgia 30602, United States.
Analytical chemistry
|January 9, 2024
概括
一个名为MOCCal的新工具可以自动进行精确的碰撞截面 (CCS) 校准,用于跨脂质和类生物分子的移动波离子移动性质谱 (IM-MS).
科学领域:
- 分析化学 分析化学
- 生物化学 生物化学
- 质谱测量质量谱测量
背景情况:
- 离子移动性质谱法 (IM-MS) 通过尺寸与电荷和质量与电荷的比率来分离离子.
- IM-MS光谱将生物分子组织成不同的趋势线,有助于一般的离子分类.
- 准确识别未知离子需要将到达时间转换为碰撞截面 (CCS) 值,尽量减少仪器变化.
研究的目的:
- 开发一个多原子CCS校准工具 (MOCCal) 来自动化从IM到达时间准确的CCS值的确定.
- 解决不同IM设备中CCS转换过程的变异性,特别是移动波离子移动性 (TWIM).
- 为了提高复杂的多原子样本中各种生物分子的CCS值的准确性.
主要方法:
- 开发MOCCal,一个多原子CCS校准工具.
- 将未知特征自动分配到最准确的功率定律校准曲线上.
- 实验到达时间的校准使用最多三个类特定的校准曲线.
- 利用校准TWCCS N2和DTCCS N2值与m/z回归线之间的差异来选择最佳的校准曲线.
主要成果:
- MOCCal将未知特征的分配自动化为最准确的校准.
- 该工具通过多个类特定曲线校准到达时间.
- MOCCal精确校准了多原子样本中小分子,脂质和的TWCCS N2值.
- 使用真实和模拟的多原子样本证明了准确性.
结论:
- MOCCal为各种生物分子提供精确校准的碰撞截面值.
- 该工具提高了IM-MS数据分析在多原子研究中的可靠性和准确性.
- MOCCal提供了一个强大的解决方案,用于在不同的TWIM平台上标准化CCS测量.
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