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Reference Chemical Supplemental Files

NIAID Data Ecosystem2026-03-10 收录

化学数据库构建

物质鉴定

数据链接：

https://figshare.com/articles/dataset/Reference_Chemical_Supplemental_Files/7411685 数据链接链接失效反馈

官方服务：

资源简介：

Supplemental files for reference chemical database.

应用场景：

创建时间：

2018-12-03

相关数据集

mass spectrometry (MS) ()

质谱分析

物质鉴定

dataset for mass spectrometry (MS) MS (EI, 70 eV, 220 °C), m/z (%): 383 (9) [M]+, 355 (12), 255 (22), 251 (17), 250 (100), 159 (17), 144 (12), 105 (58).HRMS–EI (C22H21N7) (m/z): [M]+ Calcd 383.1853

DataCite Commons2024-02-14 更新140

Daidzein; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+

质谱分析

物质鉴定

This MassBank record with Accession MSBNK-IPB_Halle-PB000841 contains the MS2 mass spectrum of Daidzein with the InChIkey ZQSIJRDFPHDXIC-UHFFFAOYSA-N.

massbank.eu100

beta-Ala, 3-Aminopropionic acid, 3-Aminopropanoate, beta-Alanine, beta-Aminopropanoic Acid; LC-ESI-QQ; MS2

质谱分析

物质鉴定

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS038103 contains the MS2 mass spectrum of beta-Ala, 3-Aminopropionic acid, 3-Aminopropanoate, beta-Alanine, beta-Aminopropanoic Acid with the I

massbank.eu70

Boscalid; LC-ESI-QTOF; MS2; 40 V

质谱分析

物质鉴定

This MassBank record with Accession MSBNK-BAFG-CSL23111016958 contains the MS2 mass spectrum of Boscalid with the InChIkey WYEMLYFITZORAB-UHFFFAOYSA-N.

massbank.eu100

alpha-(2,5-Dichlorophenoxy)propionic acid; ESI-QTOF; MS2; CE: 20; [M-H]-

质谱分析

物质鉴定

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT000992 contains the MS2 mass spectrum of alpha-(2,5-Dichlorophenoxy)propionic acid with the InChIkey LDRYOEIGQCIMEK-UHFFFAOYSA-N.

massbank.eu90