3-(3-Hydroxy-2,4-dimethoxyphenyl)prop-2-enoic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 3-(3-Hydroxy-2,4-dimethoxyphenyl)prop-2-enoic acid
• 英文别名: 3-(3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoic acid
• 化学式: C₁₁H₁₂O₅
• 分子量: 224.21
• InChiKey: HWZDEFMEFOFIJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  76
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• MALDI SAMPLE PREPARATION METHOD AND SAMPLE PREPARATION DEVICE
  申请人：Shimadzu Corporation

  公开号：EP2975393A1

  公开（公告）日：2016-01-20

  After a sample such as a biomedical tissue section is attached to an electrically-conductive slide glass (S1), the film layer of a matrix substance is appropriately formed by vapor deposition so as to cover the sample (S2). The crystal of the matrix substance in the film layer is very fine and uniform. Subsequently, the slide glass on which the matrix film layer is formed is placed in a vaporized solvent atmosphere, and the solvent infiltrates into the matrix film layer (S3). When the solvent sufficiently infiltrated is vaporized, a substance to be measured in the sample takes in the matrix and re-crystallized. Furthermore, the matrix film layer is formed again on the surface by the vapor deposition (S4). The added matrix film layer absorbs excessive energy of a laser beam during MALDI, which suppresses the denaturation of the substance to be measured and the like, so that high detection sensitivity can be achieved while high spatial resolution is maintained.

  将生物医学组织切片等样品粘贴到导电玻片（S1）上后，通过气相沉积法适当形成基质物质薄膜层，以覆盖样品（S2）。薄膜层中基质物质的晶体非常细小且均匀。随后，将形成基质膜层的玻片置于气化溶剂环境中，溶剂渗入基质膜层中（S3）。当充分渗入的溶剂气化后，样品中的待测物就会进入基质并重新结晶。此外，基质膜层通过气相沉积（S4）再次在表面上形成。添加的基质膜层可在 MALDI 过程中吸收激光束的过多能量，从而抑制待测物质的变性等，从而在保持高空间分辨率的同时实现高检测灵敏度。
• MASS SPECTROMETER AND MASS CALIBRATION METHOD IN MASS SPECTROMETER
  申请人：SHIMADZU CORPORATION

  公开号：US20210057200A1

  公开（公告）日：2021-02-25

  A matrix-derived peak information acquisition unit ( 31 ) creates a peak list that summarizes various ions derived from a matrix and their theoretical m/z values based on a result of analysis of a sample of only a matrix, and stores the peak list in a matrix-derived peak information storage unit ( 32 ). When an actually-measured mass spectrum of a target sample is obtained, a mass calibration reference peak detection unit ( 33 ) uses a peak list corresponding to a matrix used for analysis to identify an ion peak derived from a matrix appearing in the actually-measured mass spectrum. A mass calibration information calculation unit ( 35 ) obtains mass calibration information from an actually-measured m/z value and a theoretical m/z value of the identified peak, and a mass calibration processing unit ( 37 ) uses the mass calibration information to correct an m/z value of a peak derived from a target compound on the actually-measured mass spectrum. In this manner, accurate mass calibration can be performed without using a standard substance or even in a case where an ion derived from a standard substance cannot be observed with sufficient intensity.
• [EN] MASS SPECTROSCOPE AND MASS CALIBRATION METHOD FOR MASS SPECTROSCOPE<br/>[FR] SPECTROSCOPE DE MASSE ET PROCÉDÉ D'ÉTALONNAGE DE MASSE POUR SPECTROSCOPE DE MASSE<br/>[JA] 質量分析装置及び質量分析装置における質量較正方法
  申请人：SHIMADZU CORP

  公开号：WO2019150576A1

  公开（公告）日：2019-08-08

  マトリクス由来ピーク情報取得部（３１）はマトリクスのみの試料を分析した結果に基づき、マトリクスに由来する各種イオンとその理論上のm/z値をまとめたピークリストを作成しマトリクス由来ピーク情報記憶部（３２）に記憶させる。目的試料の実測のマススペクトルが得られると、質量較正用基準ピーク検出部（３３）は、分析に使用されたマトリクスに対応するピークリストを利用して、実測のマススペクトルに現れるマトリクス由来のイオンピークを同定する。質量較正情報算出部（３５）は同定されたピークの実測のm/z値と理論上のm/z値とから質量較正情報を求め、質量較正処理部（３７）は質量較正情報を利用して実測マススペクトル上の目的化合物由来のピークのm/z値を補正する。これにより、標準物質を用いることなく或いは標準物質由来のイオンが十分な強度で観測できない場合でも、正確な質量較正が行える。