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Rapid identification of stigmastane-type steroid saponins from Vernonia amygdalina leaf based onα-glucosidase inhibiting activity and molecular networking

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Chinese Journal of Natural Medicines 2022年第11期20卷 846-853页

作者： GAO Juanjuan ZHAO Mengling SHAN Shujun LI Yongyi LUO Jun LI Yi School of Food Science and Pharmaceutical Engineering Testing&Analysis CenterNanjing Normal UniversityNanjing 210023China Jiangsu Key Laboratory of Bioactive Natural Product Research and State Key Laboratory of Natural Medicines China Pharmaceutical UniversityNanjing 210009China

Steroid saponins are secondary metabolites with multiple medicinal values that are found in large quantities in natural medicines,especially Vernonia amygdalina,a famous nature medicine for the treatment of tonsillitis,diabetes,*** current study was designed to combine molecular networking(MN)with diagnostic ions for rapid identification ofΔ^(7,9(11))stigmastane-type saponins which were theα-glucosidase inhibitory active substances in ***,theα-glucosidase inhibitory activities of fiveΔ^(7,9(11))stigmastane-type steroid saponins that were previously isolated were screened,which indicated that theΔ^(7,9(11))stigmastane-type steroid saponin was one of the active constituents responsible for ameliorating ***,a strategy was proposed to identify stigmastane-type steroid saponins and verify the plausibility of derived fragmentation pathways by applying MN,MolNetEnhancer and unsupervised substructure annotation(MS2LDA).Based on this strategy,other sevenΔ^(7,9(11))stigmastane-type steroid saponins were identified from this *** research provide scientific evidence for the antidiabetic potential of the steroid saponin-rich extract of *** leaf.

关键词： Δ^(7,9(11))Stigmastane-type steroid saponins α-Glucosidase inhibitory activity fragmentation pathways Diagnostic ions Molecular networking

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Multiple characteristic structure fragments scans coupled to high-resolution mass spectrometry strategy for discovering unknown structural analogs of mycotoxins in food

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Journal of Future Foods 2022年第2期2卷 167-176页

作者： Dongwei Cui Xiuli Xu Xiujuan Wang Feng Zhang Fengming Chen Tong Liu Han Wang Yuan Zhang Yaxuan Song Xuesong Feng Institute of Food Safety Chinese Academy of Inspection&QuarantineBeijing 100176China School of Pharmacy China Medical UniversityShenyang 110122China Department of Pharmacy Shenzhen Children’s HospitalShenzhen 518034China

The cereals and their products,which have been easily infected by fungi and contaminated with mycotoxins,are serious threat to both human and animals *** yet,detection of these unknown fungal infection and mycotoxins contaminates remains a great *** this work,a holistic approach based on multiple characteristic structure fragments scans and high-resolution mass spectrometry(HRMS)was proposed for discovering unknown structural analogues of *** structural similarity of the same class of compounds provides a direction for the discovery and identification of unknown structural analogues of *** following steps were carried out:the fragmentation pathways of four types of mycotoxins were elucidated through comprehensive fragment *** the combination of fragmentation pathways,the multiple characteristic structure fragments were screened out,with the common fragments were obtained by Veen *** multiple characteristic structure fragments scans were carried out to find the unknown structural analogues of *** approach,first proposed by us,was proved to be effective in discovering and identifying 5 structural analogues of mycotoxins in real *** was proved to be a simple,fast and accurate method for early detection of fungal infection and mycotoxin contaminants,even for trace amounts of chemicals in complex matrix,and is of great significance to prevent hazardous substances infection from the food supply chains worldwide.

关键词： Mycotoxins fragmentation pathways Multiple characteristic structure fragments scans HRMS

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快原子轰击(FAB)离子化法测定头孢拉定的质谱及其裂解途径的解析

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分析测试学报 2004年第z1期23卷 144-145页

作者：任三香陆慧宁温汉辉查庆民中山大学测试中心广东广州510275

　　头孢拉定(Cefradine)是第一代合成头孢类抗生素药,也是目前最常用的抗生素之一.有胶囊、片剂也有注射针剂.具有广谱的抗菌性能,由于它对革兰氏阳性及阴性杆菌敏感,故对治疗呼吸道感染颇有效,用途广、用量大,属于高效的头孢菌素.……

关键词： Cefradine Fast atom bombardment (FAB) fragmentation pathways

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LC-MS^n测定2-[[(2′-氰基联苯基)-4-基]甲基]氨基-3-硝基苯甲酸乙酯中的不纯物

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分析测试学报 2007年第z1期26卷 125-126页

作者：姚骏骅中山大学测试中心广东广州510275

The impurities in ethyl-2-[[2′-cyanobiphenyl-4-yl] methyl] amino]-3-nitrobenzoate,an intermediate for synthesis of candesartan cilexiti,were detected by LC-MSn. The structural assignment of these impurities was carried out by LC-MSn using electrospray ionization source and an ion trap mass analyzer. The formation of the impurities was discussed. Also the fragmentation pathways of these compounds were studied.

关键词： LC-MSn Ethyl-2-[[2′-cyanobiphenyl-4-yl] methyl] amino]-3-nitrobenzoate Impurities fragmentation pathways

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快原子轰击(FAB)离子化法测定头孢拉定的质谱及其裂解途径的解析

快原子轰击(FAB)离子化法测定头孢拉定的质谱及其裂解途径的解析

引用

2004年全国有机质谱学术交流会

作者：任三香陆慧宁温汉辉查庆民中山大学测试中心

头孢拉定(Cefradine)是第一代合成头孢类抗生素药,也是目前最常用的抗生素之一。有胶囊、片剂也有注射针剂。具有广谱的抗菌性能,由于它对革兰氏阳性及阴性杆菌敏感,故对治疗呼吸道感染颇有效,用途广、用量大,属于高效的头孢菌素。国内... 详细信息

头孢拉定(Cefradine)是第一代合成头孢类抗生素药,也是目前最常用的抗生素之一。有胶囊、片剂也有注射针剂。具有广谱的抗菌性能,由于它对革兰氏阳性及阴性杆菌敏感,故对治疗呼吸道感染颇有效,用途广、用量大,属于高效的头孢菌素。国内不少药厂都有研制,为此,我们对其质谱行为进行了分析。头孢拉定,化学名(6R,7R)-[(R)-2-氨基-2-(1,4-环己烯基)乙酰氨基]-3-甲基-8-氧代-5-硫杂- 1-氮杂双环[4.2.0]辛-2-烯-2-羧酸,其产品为一水化物。分子式C16H19N3O4S·H2O,结构见图1。

关键词： Cefradine Fast atom bombardment (FAB) fragmentation pathways

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