Rapid Identification on Chemical Constituents in Volatile Oil of <italic style="font-style: italic">Saposhnikovia divaricate </italic>by GC－Q/TOF MS

WANG Lin-yan; WANG Bo; PEI Yan-ling; SHENG Zhen-hua; CHEN Sen-miao; GUAN Yang

doi:10.19969/j.fxcsxb.21033102

您当前的位置：

首页 >

文章列表页 >

Rapid Identification on Chemical Constituents in Volatile Oil of Saposhnikovia divaricate by GC－Q/TOF MS

Scientific Papers | 更新时间：2023-02-13

- Rapid Identification on Chemical Constituents in Volatile Oil of Saposhnikovia divaricate by GC－Q/TOF MS
- Journal of Instrumental Analysis Vol. 40, Issue 12, Pages: 1697-1705(2021)
- 作者机构：
  
  1.浙江中医药大学中医药科学院，浙江杭州 310053
  2.浙江中医药大学生命科学学院，浙江杭州 310053
  3.河北鑫民和质检技术服务有限公司，河北保定 071200
- 作者简介：
- 基金信息：
- DOI：10.19969/j.fxcsxb.21033102
  CLC：
扫描看全文
王林燕,王博,裴艳玲等.GC－Q/TOF MS技术快速鉴定防风挥发油中的成分[J].分析测试学报,2021,40(12):1697-1705.

WANG Lin-yan,WANG Bo,PEI Yan-ling,et al.Rapid Identification on Chemical Constituents in Volatile Oil of Saposhnikovia divaricate by GC－Q/TOF MS[J].Journal of Instrumental Analysis,2021,40(12):1697-1705.
王林燕,王博,裴艳玲等.GC－Q/TOF MS技术快速鉴定防风挥发油中的成分[J].分析测试学报,2021,40(12):1697-1705. DOI： 10.19969/j.fxcsxb.21033102.

WANG Lin-yan,WANG Bo,PEI Yan-ling,et al.Rapid Identification on Chemical Constituents in Volatile Oil of Saposhnikovia divaricate by GC－Q/TOF MS[J].Journal of Instrumental Analysis,2021,40(12):1697-1705. DOI： 10.19969/j.fxcsxb.21033102.

摘要

采用气相色谱－四极杆飞行时间串联质谱（GC－Q/TOF MS）技术对中药防风挥发油中的化学成分进行鉴定。首先在标准EI电离源模式下采集样品，通过定性软件对数据进行解卷积和NIST库比对，鉴定出库内化合物82种，包括烃类、醛酮类、醇类、酸类和酯类。此外，采用GC－Q/TOF MS的低能量电离源（Lower energy）模式，确定未知化合物的分子离子峰；采集二级质谱，获得碎片离子信息，推断分子式，并结合Chemspider数据库，鉴定了未知物结构。运用该方法鉴定出NIST库外化合物2种，分别为（5,E,，7,E,，11,S,）-5，11-二甲基-5，7-十四碳二烯-1-炔-4-醇和（6,S,，7,E,，9,E,）-7，9-十七碳二烯-11，13-炔-6-醇。同时鉴定了库内化合物3种，为2，4-癸二烯醛、肉豆蔻酸和棕榈酸甲酯，与自动匹配结果相一致，验证了该方法的可行性。综上，从防风挥发油中共鉴定出84种化学成分。该研究丰富了GC－Q/TOF MS在中药防风挥发油中的运用，也为其他物质的快速全面鉴定提供了新思路，尤其是GC－Q/TOF MS的Lower energy 和MS/MS联用模式适用于NIST库中未收录化合物的准确快速鉴定。

Abstract

In this paper，gas chromatography－quadrupole time-of-flight mass spectrometry（GC－Q/TOF MS） was used to identify the chemical constituents in the volatile oil of ,Saposhnikovia divaricate,．Firstly，the samples were analyzed under standard EI ionization source mode，and the qualitative software was used for data deconvolution and NIST library comparison．82 compounds were identified，including hydrocarbons，aldehydes，ketones，alcohols，organic acids and esters．Furthermore，the low energy ionization source（lower energy）mode of GC－Q/TOF MS was utilized to determine the molecular ion peaks of the unknown compounds．And then，the secondary mass spectra of unknown compounds were acquired to obtain the fragment ion information so as to infer the molecular formula，and further identify the chemical structures combined with Chemspider database．As a result，two compounds outside the NIST library were identified by this new method as（5,E,，7,E,，11,S,）-5，11-dimethyl-5，7-tridecadien-1-alkyn-4-ol and（6,S,，7,E,，9,E,）-7，9-heptadecadiene-11，13-diyn-6-ol，and three components in the NIST library were identified as 2，4-decadienal，tetradecanoic acid and methyl ester hexadecanoic acid，which were consistent with the automatic matching results and verified the feasibility of the proposed method. To sum up，a total of 84 chemical components were identified from the volatile oil of ,Saposhnikovia divaricate,. This research not only enrich the application of GC－Q/TOF MS in identification on volatile oil of ,Saposhnikovia divaricate,，but also provide a new idea for the rapid and comprehensive identification of other chemicals. In particular，the combination of lower energy and MS,2, mode of GC－Q/TOF MS could be applied to the accurate and rapid identification of compounds not included in the NIST library.

关键词

防风成分鉴定气相色谱－四极杆飞行时间串联质谱（GC－Q/TOF MS）可变能量电离源二级质谱

Keywords

Saposhnikovia divaricatecomponent identificationgas chromatography－quadrupole time-of-flight mass spectrometry（GC－Q/TOF MS）variable energy ionization sourceMS2

references

Pharmacopoeia of the People′s Republic of China．2020，Vol I．Beijing：China Medical Science and Technology Press（中华人民共和国药典．2020年版，一部．北京：中国医药科技出版社），2020．

Chen X Y．Shennong′s Herbal Classic．Beijing：People’s Medical Publishing House（陈修园．神农本草经读．北京：人民卫生出版社），1959：10.

Liu Y S．A Literature Study on the Efficacy and Its Clinical Medication Thinking of Saposhnikovia divaricate．Beijing：Beijing University of Chinese Medicine（刘颖姝．防风功效及其临床用药思维的文献研究．北京：北京中医药大学），2010.

Xin G，Li X，Huang X W．Jilin J. Tradit. Chin. Med. （辛国，李鑫，黄晓巍．吉林中医药），2018，38（11）：89－91.

Liu S L，Jiang C X，Zhao Y，Xu Y H，Wang Z，Zhang L X．Chin. Herb. Med. （刘双利，姜程曦，赵岩，许永华，王壮，张连学．中草药），2017，48（10）：2146－2152.

Bo F M，Zhang L，Sun Y，Yang S J，Feng A J，Li L J．J. Instrum. Anal. （薄福民，张丽，孙越，杨山景，封安杰，李凌军．分析测试学报），2021，40（1）：119－125.

Yan Y L，Zhang H，Jin G W，Zhang F F，Liang X M．Mod. Tradit. Chin. Med.Mater.Medica－World Sci.Technol. （严云丽，张华，金高娃，章飞芳，梁鑫淼．世界科学技术—中医药现代化），2009，11（3）：400－406.

Zhang D，Mou Y Y，Mu P P，Guo M，Guo L，Zheng Y G．Asia－Pacific Traditi. Med. （张丹，牟玉莹，木盼盼，郭梅，郭龙，郑玉光．亚太传统医药），2019，15（4）： 55－57.

Liang C Y，Qin J P，Chen Y P，Cai Y，Li Y H，Li Y R．Chin. J. Exp. Tradit. Med. Formul. （粱臣艳，覃洁萍，陈玉萍，蔡毅，李耀华，李毅然．中国实验方剂学杂志），2012，18（8）： 80－83.

Xia L Z，Peng D Y，Wang Y Z，Li M Q，Zhang J R，Duan X C．Anhui Med. Pharm. J. 夏伦祝，彭代银，汪永忠，李毛全，章俊如，段贤春．安徽医药），2009，（8）：885－886.

Si X X．J. Instrum. Anal. （司晓喜．分析测试学报），2016，35（5）：532－538.

Li C，Zheng M H，Cao D，Yang L L，Wu J J，Yang Y P，Liu G R．J. Hazard. Mater.，2020，406：124603－124610.

Wang M，Raman V，Zhao J P，Avula B，Wang Y H，Wylie P L，Khan I A．Planta Med.，2018，84（14）：1045－1054.

Pace G，Seraglia R，Cacace F，Petris G，Traldi P．J. Mass Spectrom.，2002，37（12）：1200－1204.

Agilent Technologies．Chin. J. Anal. Chem. （安捷伦科技公司．分析化学），2017，45（7）：1030.

Pharmacopoeia of the People′s Republic of China．2020，Vol Ⅳ. Beijing：China Medical Science and Technology Press（中华人民共和国药典．2020年版，四部．北京：中国医药科技出版社），2020：233.

Views

下载量

CSCD

Alert me when the article has been cited

提交

Tools

Publicity Resources

No data

Related Author

No data

Related Institution

No data

Address：100 Xianlie Middle Road, Guangzhou Postal code：510070
Tel：020-87684776,37656606 Fax：020-87684776 Email：fxcsxb@china.com
Technical support is provided by Beijing Founder electronics co., LTD 粤ICP备12017312号-3 京公网安备11010802024621
It is recommended to read the content of this site in Chrome&IE9+. Please switch to extreme mode in browser 360.
Cookies We use cookies to help provide and enhance our service and tailor content. By continuing, you agree to the use of cookies.

⁰

Rapid Identification on Chemical Constituents in Volatile Oil of Saposhnikovia divaricate by GC－Q/TOF MS

DOI：10.19969/j.fxcsxb.21033102

摘要

Abstract

关键词

Keywords

references