Qualitative analysis of Schizonepeta annua (Pall.) Schischk essential oil by gas chromatography-quadrupole time-of-flight mass spectrometry

被引：5
作者：
Bai, Xi [1 ,2 ,3 ,4 ]
Maitusong, Jumai [1 ,2 ,3 ,4 ]
Mahinur, Bakri [1 ,2 ]
Aisa, Haji A. [1 ,2 ]
Maiwulanjiang, Maitinuer [1 ,2 ]
机构：
[1] Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Urumqi 830011, Peoples R China
[2] Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, State Key Lab Basis Xinjiang Indigenous Med Plant, Urumqi 830011, Peoples R China
[3] Univ Chinese Acad Sci, Beijing, Peoples R China
[4] Xinjiang Normal Univ, Coll Chem & Chem Engn, Urumqi, Peoples R China
来源：
EUROPEAN JOURNAL OF MASS SPECTROMETRY | 2018年 / 24卷 / 06期
关键词：
Schizonepeta annua (Pall.) Schischk; essential oil; gas chromatography-quadrupole time-of-flight mass spectrometry; accurate mass; phenolic monoterpene; VOLATILE COMPOUNDS; SEMIVOLATILE COMPOUNDS; IDENTIFICATION; CONTAMINANTS; LEAVES; FRUIT;
D O I：
10.1177/1469066718791789
中图分类号：
O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号：
070203 ; 070304 ; 081704 ; 1406 ;
摘要：
In this study, a method for the qualitative analysis of small molecular compounds in Schizonepeta annua (Pall.) Schischk essential oil was established based on gas chromatography-quadrupole time-of-flight mass spectrometry. In addition to an automated search of the NIST library, the identification of oxygenated monoterpenes, phenolic esters, and phenolic compounds was achieved by two additional strategies. One strategy involved comparing the relative errors of accurate masses measured for ions in the experimental spectra with those calculated for fragments identified from the NIST database of candidate matches. The second strategy involved combination of the product ion scans and positive chemical ionisation spectra for structural elucidation. Overall, 95.45% of the total essential oil volatile chemical content of Schizonepeta annua (Pall.) Schischk was identified, with phenolic monoterpenes dominating.
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收藏
页码：454 / 462
页数：9
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