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GNPS - Development and Application of a Collision Cross Section Database for the Detection of Quaternary Ammonium Compounds and Their Phase I Hepatic Metabolites in Humans

NIAID Data Ecosystem2026-05-01 收录

药物代谢物检测

离子淌度质谱

数据链接：

https://www.omicsdi.org/dataset/gnps/MSV000093621 数据链接链接失效反馈

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资源简介：

LC-IM-MS/MS analysis of human liver microsome (HLM; +/- NADPH) quaternary ammonium compound (QAC) incubation extracts.

应用场景：

创建时间：

2023-12-09

代谢动力学

药物代谢物检测

The objectives of this study were to elucidate absorption, tissue distribution, excretion, and metabolism of vitacoxib, a novel selective cyclooxygenase-2 inhibitor, in Wistar rats. Vitacoxib was dete

NIAID Data Ecosystem70

Identification of N‑Oxide and Sulfoxide Functionalities in Protonated Drug Metabolites by Using Ion–Molecule Reactions Followed by Collisionally Activated Dissociation in a Linear Quadrupole Ion Trap Mass Spectrometer

药物代谢物检测

质谱官能团识别

The in vivo oxidation of sulfur and nitrogen atoms in many drugs into sulfoxide and N-oxide functionalities is a common biotransformation process. Unfortunately, the unambiguous identification of thes

Figshare2016-02-12 更新50

The retention time, predicted elemental compositions, observed mass and calculated mass, characteristic fragment ions, and description of metabolites of WS070117 in rat urine.

药物代谢物检测

质谱分析

The retention time, predicted elemental compositions, observed mass and calculated mass, characteristic fragment ions, and description of metabolites of WS070117 in rat urine.

NIAID Data Ecosystem40

Enhancement of Proteome Coverage by Ion Mobility Fractionation Coupled to PASEF on a TIMS–QTOF Instrument

蛋白质组学分析

离子淌度质谱

Trapped ion-mobility spectrometry (TIMS) was used to fractionate ions in the gas phase based on their ion mobility (V s/cm2), followed by parallel accumulation–serial fragmentation (PASEF) using a qua

NIAID Data Ecosystem60

Direct (LC-)MS Identification of Regioisomers from C–H Functionalization by Partial Isotopic Labeling

化学反应产物分析

药物代谢物检测

C–H functionalization of complex substrates is highly enabling in total synthesis and in the development of late-stage drug candidates. Much work has been dedicated to developing new methods as well a

Figshare2025-02-26 更新40

GNPS - Development and Application of a Collision Cross Section Database for the Detection of Quaternary Ammonium Compounds and Their Phase I Hepatic Metabolites in Humans

资源简介：

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