Article(id=1304414710296769479, tenantId=1146029695717560320, journalId=1302319053441957962, issueId=1304414700964443026, articleNumber=null, orderNo=null, doi=10.7501/j.issn.0253-2670.2026.04.011, pmid=null, cstr=null, oa=null, hot=0, price=null, onlineType=0, articleFormat=0, articleType=null, articleTypeStr=null, receivedDate=1764086400000, receivedDateStr=2025-11-26, revisedDate=null, revisedDateStr=null, acceptedDate=null, acceptedDateStr=null, onlineDate=1788926301787, onlineDateStr=2026-09-09, pubDate=null, pubDateStr=null, doiRegisterDate=null, doiRegisterDateStr=null, onlineIssueDate=1788926301787, onlineIssueDateStr=2026-09-09, onlineJustAcceptDate=null, onlineJustAcceptDateStr=null, onlineFirstDate=null, onlineFirstDateStr=null, sourceXml=null, magXml=null, createTime=1788926301787, creator=13701087609, updateTime=1788926301787, updator=13701087609, issue=Issue{id=1304414700964443026, tenantId=1146029695717560320, journalId=1302319053441957962, year='2026', volume='57', issue='4', pageStart='1209', pageEnd='1596', issueExtLink='null', onlineDate='null', pubDate='1772208000000', pubDateStr='2026-02-28', beforeIssueId=null, nextIssueId=null, price=null, status=1, issueComplete=1, articleOrder=1, issueType=-1, specialIssue=null, createTime=1788926299563, creator='13701087609', updateTime=1788926573099, updator='13701087609', preIssue=null, nextIssue=null, articleTotal=null, ext={EN=IssueExt(id=1304415848316297970, tenantId=1146029695717560320, journalId=1302319053441957962, issueId=1304414700964443026, language=EN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=), CN=IssueExt(id=1304415848316297971, tenantId=1146029695717560320, journalId=1302319053441957962, issueId=1304414700964443026, language=CN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=)}, issueFiles=null, downloadFileDto=null}, startPage=1311, endPage=1324, ext={EN=ArticleExt(id=1304414710602953673, articleId=1304414710296769479, tenantId=1146029695717560320, journalId=1302319053441957962, language=EN, title=Qualitative and quantitative analysis of chemical constituents and quality evaluation of Tiaojing Cuyun Pills based on liquid chromatography-mass spectrometry combined with pattern recognition technology, columnId=null, journalTitle=Chinese Traditional and Herbal Drugs, columnName=null, runingTitle=null, highlight=null, articleAbstract=Objective To conduct qualitative and quantitative analysis of the chemical constituents in Tiaojing Cuyun Pills (TCP, 调经促孕丸) using high-resolution mass spectrometry and to evaluate its quality comprehensively. Methods Ultra-high performance liquid chromatography-quadrupole/electrostatic field orbitrap high-resolution mass spectrometry (UHPLC-Q-Exactive Orbitrap HRMS) was employed in this study. Combined with reference standard comparison, mass spectral fragmentation rule analysis and database retrieval, a method for identifying and analyzing the in vitro chemical constituents of TCP was established, and the key constituents were quantified. Multivariate statistical methods were applied to analyze the quantitative data for comprehensive quality evaluation of TCP. Results A total of 105 compounds were identified by collecting mass spectral data in Full-scan data-dependent MS/MS (Fullmass ddMS2 ) mode, covering various structural types such as flavonoids, organic acids, quinones, glycosides, terpenoids, alkaloids and others. Meanwhile, a quantitative analysis method was established for 24 key constituents in the drug using the full-scan accurate quasi-molecular ion mode to achieve precise content determination. Principal component analysis (PCA) and orthogonal partial least squares-discriminant analysis (OPLS-DA) analysis showed that the overall quality of 10 batches of drugs was stable, and catechin, tanshinone I, baohuoside I, daidzein, paeoniflorin and caffeic acid might be the key constituents affecting drug quality. Conclusion Based on high-resolution mass spectrometry technology, a variety of chemical components in TCP can be qualitatively and quantitatively analyzed in a systematic, accurate and rapid manner, which lays a foundation for the research on its pharmacodynamic material basis and quality control., authors=WANG Yifei, ZHOU Lin, ZUO Lihua, SHI Yingying, FENG Xueqiong, CHEN Qi, FAN Guoqi, CHEN Jianghe, LYU Xiaoyu, SUN Zhi, authorsList=WANG Yifei, ZHOU Lin, ZUO Lihua, SHI Yingying, FENG Xueqiong, CHEN Qi, FAN Guoqi, CHEN Jianghe, LYU Xiaoyu, SUN Zhi, authorCompany=null, correspAuthors=null, authorNote=null, correspAuthorsNote=null, copyrightStatement=null, copyrightOwner=null, extLink=null, articleAbsUrl=null, sourceXml=null, magXml=null, pdfUrl=null, pdf=null, pdfFileSize=null, pdfExtLink=null, richHtmlUrl=null, mobilePdfUrl=null, reviewReport=null, pdfFirstPage=null, abstractGraph=null, abstractGraphContent=null, abstractVideo=null, citation=null, cebUrl=null, magXmlContent=null, mapNumber=null, fund=null), CN=ArticleExt(id=1304414710519067592, articleId=1304414710296769479, tenantId=1146029695717560320, journalId=1302319053441957962, language=CN, title=基于液质联用结合模式识别技术的调经促孕丸化学成分定性、定量及质量评价研究, columnId=1304140189132149234, journalTitle=中草药, columnName=药剂与工艺, runingTitle=null, highlight=null, articleAbstract=目的 采用高分辨质谱技术对调经促孕丸（Tiaojing Cuyun Pills，TCP）的化学成分进行定性及定量分析，并对其质量进行评价。方法 采用超高效液相色谱-四极杆/静电场轨道阱高分辨质谱（UHPLC-Q-Exactive Orbitrap HRMS）技术，结合对照品比对、质谱裂解规律解析及数据库检索，建立TCP体外化学成分的鉴定分析方法并对关键成分进行定量。将定量数据采用多元变量统计方法进行分析，综合评价TCP质量。结果 通过全扫描-数据依赖二级扫描（Fullmass ddMS²）模式采集质谱数据，共鉴定出105个化合物，涵盖黄酮类、有机酸类、醌类、苷类、萜类、生物碱类及其他类等多种结构类型；同时，针对药物中的24个关键成分，采用一级精确准分子离子扫描模式建立定量分析方法，实现其精准含量测定。采用主成分分析（principal component analysis，PCA）及正交偏最小二乘法-判别分析（orthogonal partial least squares-discriminant analysis，OPLS-DA）发现，10个批次的TCP总体质量稳定，儿茶素、丹参酮I、宝藿苷I、大豆苷元、芍药苷与咖啡酸可能是影响TCP质量的关键成分。结论 基于高分辨质谱技术可系统、准确、快速地定性及定量TCP中的多种化学成分，并为其药效物质基础及质量控制研究奠定基础。, authors=王一飞1 , 周霖2 , 左莉华2 , 师莹莹2 , 冯雪琼2 , 陈琪2 , 范国旗2 , 陈江河2 , 吕笑语2 , 孙志2 , authorsList=王一飞, 周霖, 左莉华, 师莹莹, 冯雪琼, 陈琪, 范国旗, 陈江河, 吕笑语, 孙志, authorCompany=1 同济大学附属第十人民医院, 上海 200072; et al . Development and validation of a prediction model for depression in adolescents with polycystic ovary syndrome: A study protocol [J]. Front Psychiatry , 2022, 13: 984653.et al . Subcutaneous delivery of icariin via a gelatin methacryloyl (GelMA) hydrogel sustained-release system improves ovarian function in reproductively aged mice [J]. Zool Res , 2025, 46(4): 863-876.et al . Taxillus chinensis (DC.) Danser: A comprehensive review on botany, traditional uses, phytochemistry, pharmacology, and toxicology [J]. Chin Med , 2022, 17(1): 136.et al . Ferulic acid inhibits proliferation and promotes apoptosis via blockage of PI3K, Akt pathway in osteosarcoma cell [J]. Am J Transl Res , 2016, 8(2): 968-980.et al . A systematic review and meta-analysis of randomized controlled trials on the efficacy and safety of tanshinone IIA sodium sulfonate injection as adjunctive therapy for stroke [J]. J Ethnopharmacol , 2025, 353(Pt B): 120413.et al . Multi-omics and network pharmacology study reveals the effects of Dengzhan Shengmai Capsule against neuroinflammatory injury and thrombosis induced by ischemic stroke [J]. J Ethnopharmacol , 2023, 305: 116092.et al . Chinese herbal medicine alleviates autophagy and apoptosis in ovarian granulosa cells induced by testosterone through PI3K, Akt1, Foxo1 pathway [J]. J Ethnopharmacol , 2024, 318(Pt B): 117025.
中草药
|药剂与工艺
2026
, 57
(4) :
1311
-1324
基于液质联用结合模式识别技术的调经促孕丸化学成分定性、定量及质量评价研究
全屏
王一飞1 , 周霖2 , 左莉华2 , 师莹莹2 , 冯雪琼2 , 陈琪2 , 范国旗2 , 陈江河2 , 吕笑语2 , 孙志2
作者信息
1 同济大学附属第十人民医院, 上海 200072;
通讯作者:
孙志
作者简介:
王一飞: 王一飞，博士，主治医师，研究方向为中药分析。E-mail:wangyifei0524@outlook.com
Qualitative and quantitative analysis of chemical constituents and quality evaluation of Tiaojing Cuyun Pills based on liquid chromatography-mass spectrometry combined with pattern recognition technology
WANG Yifei, ZHOU Lin, ZUO Lihua, SHI Yingying, FENG Xueqiong, CHEN Qi, FAN Guoqi, CHEN Jianghe, LYU Xiaoyu, SUN Zhi
Affiliations
doi: 10.7501/j.issn.0253-2670.2026.04.011
文章导航
目的 采用高分辨质谱技术对调经促孕丸（Tiaojing Cuyun Pills，TCP）的化学成分进行定性及定量分析，并对其质量进行评价。方法 采用超高效液相色谱-四极杆/静电场轨道阱高分辨质谱（UHPLC-Q-Exactive Orbitrap HRMS）技术，结合对照品比对、质谱裂解规律解析及数据库检索，建立TCP体外化学成分的鉴定分析方法并对关键成分进行定量。将定量数据采用多元变量统计方法进行分析，综合评价TCP质量。结果 通过全扫描-数据依赖二级扫描（Fullmass ddMS²）模式采集质谱数据，共鉴定出105个化合物，涵盖黄酮类、有机酸类、醌类、苷类、萜类、生物碱类及其他类等多种结构类型；同时，针对药物中的24个关键成分，采用一级精确准分子离子扫描模式建立定量分析方法，实现其精准含量测定。采用主成分分析（principal component analysis，PCA）及正交偏最小二乘法-判别分析（orthogonal partial least squares-discriminant analysis，OPLS-DA）发现，10个批次的TCP总体质量稳定，儿茶素、丹参酮I、宝藿苷I、大豆苷元、芍药苷与咖啡酸可能是影响TCP质量的关键成分。结论 基于高分辨质谱技术可系统、准确、快速地定性及定量TCP中的多种化学成分，并为其药效物质基础及质量控制研究奠定基础。
调经促孕丸
/
UHPLC-Q-Exactive Orbitrap HRMS技术
/
化学成分鉴定
/
主成分分析
/
正交偏最小二乘法-判别分析
/
儿茶素
/
丹参酮I
/
宝藿苷I
/
大豆苷元
/
芍药苷
/
咖啡酸
Objective To conduct qualitative and quantitative analysis of the chemical constituents in Tiaojing Cuyun Pills (TCP, 调经促孕丸) using high-resolution mass spectrometry and to evaluate its quality comprehensively. Methods Ultra-high performance liquid chromatography-quadrupole/electrostatic field orbitrap high-resolution mass spectrometry (UHPLC-Q-Exactive Orbitrap HRMS) was employed in this study. Combined with reference standard comparison, mass spectral fragmentation rule analysis and database retrieval, a method for identifying and analyzing the in vitro chemical constituents of TCP was established, and the key constituents were quantified. Multivariate statistical methods were applied to analyze the quantitative data for comprehensive quality evaluation of TCP. Results A total of 105 compounds were identified by collecting mass spectral data in Full-scan data-dependent MS/MS (Fullmass ddMS2 ) mode, covering various structural types such as flavonoids, organic acids, quinones, glycosides, terpenoids, alkaloids and others. Meanwhile, a quantitative analysis method was established for 24 key constituents in the drug using the full-scan accurate quasi-molecular ion mode to achieve precise content determination. Principal component analysis (PCA) and orthogonal partial least squares-discriminant analysis (OPLS-DA) analysis showed that the overall quality of 10 batches of drugs was stable, and catechin, tanshinone I, baohuoside I, daidzein, paeoniflorin and caffeic acid might be the key constituents affecting drug quality. Conclusion Based on high-resolution mass spectrometry technology, a variety of chemical components in TCP can be qualitatively and quantitatively analyzed in a systematic, accurate and rapid manner, which lays a foundation for the research on its pharmacodynamic material basis and quality control.
Tiaojing Cuyun Pills
/
UHPLC-Q-Exactive Orbitrap HRMS technology
/
chemical constituent identification
/
principal component analysis
/
orthogonal partial least squares-discriminant analysis
/
catechin
/
tanshinone I
/
baohuoside I
/
daidzein
/
paeoniflorin
/
caffeic acid
王一飞, 周霖, 左莉华, 师莹莹, 冯雪琼, 陈琪, 范国旗, 陈江河, 吕笑语, 孙志.
基于液质联用结合模式识别技术的调经促孕丸化学成分定性、定量及质量评价研究.
中草药,
2026
, 57
(4)
: 1311
-1324
.
DOI: 10.7501/j.issn.0253-2670.2026.04.011
WANG Yifei, ZHOU Lin, ZUO Lihua, SHI Yingying, FENG Xueqiong, CHEN Qi, FAN Guoqi, CHEN Jianghe, LYU Xiaoyu, SUN Zhi.
Qualitative and quantitative analysis of chemical constituents and quality evaluation of Tiaojing Cuyun Pills based on liquid chromatography-mass spectrometry combined with pattern recognition technology[J].
Chinese Traditional and Herbal Drugs ,
2026
, 57
(4)
: 1311
-1324
.
DOI: 10.7501/j.issn.0253-2670.2026.04.011
参考文献
引证文献
李青青, 盛慧清. 调经促孕丸联合来曲唑对多囊卵巢综合征患者性激素水平和卵巢功能的影响[J]. 中国妇幼保健, 2024, 39(16): 3087-3090.et al . Development and validation of a prediction model for depression in adolescents with polycystic ovary syndrome: A study protocol [J]. Front Psychiatry , 2022, 13: 984653.et al . Subcutaneous delivery of icariin via a gelatin methacryloyl (GelMA) hydrogel sustained-release system improves ovarian function in reproductively aged mice [J]. Zool Res , 2025, 46(4): 863-876.et al . Taxillus chinensis (DC.) Danser: A comprehensive review on botany, traditional uses, phytochemistry, pharmacology, and toxicology [J]. Chin Med , 2022, 17(1): 136.et al . Ferulic acid inhibits proliferation and promotes apoptosis via blockage of PI3K, Akt pathway in osteosarcoma cell [J]. Am J Transl Res , 2016, 8(2): 968-980.et al . A systematic review and meta-analysis of randomized controlled trials on the efficacy and safety of tanshinone IIA sodium sulfonate injection as adjunctive therapy for stroke [J]. J Ethnopharmacol , 2025, 353(Pt B): 120413.et al . Multi-omics and network pharmacology study reveals the effects of Dengzhan Shengmai Capsule against neuroinflammatory injury and thrombosis induced by ischemic stroke [J]. J Ethnopharmacol , 2023, 305: 116092.et al . Chinese herbal medicine alleviates autophagy and apoptosis in ovarian granulosa cells induced by testosterone through PI3K, Akt1, Foxo1 pathway [J]. J Ethnopharmacol , 2024, 318(Pt B): 117025.
2026年第57卷第4期
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doi: 10.7501/j.issn.0253-2670.2026.04.011
接收时间：2025-11-26
首发时间：2026-09-09
https://castjournals.cast.org.cn/joweb/zcy/CN/10.7501/j.issn.0253-2670.2026.04.011
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2种不同金属材料的力学参数
科 属数 种数 占总种数比例 属 种数 占总种数比例 鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78 小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39 多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39 红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87 小菇属 Mycena 11 5.26 光柄菇属 Pluteus 5 2.39 红菇属 Russula 17 8.13 栓菌属 Trametes 5 2.39
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