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Article(id=1218297482220590056, tenantId=1146029695717560320, journalId=1190317699101192196, issueId=1218297478793843630, articleNumber=1001-2494(2024)14-1339-08, orderNo=null, doi=10.11669/cpj.2024.14.010, pmid=null, cstr=null, oa=null, hot=null, price=null, onlineType=0, articleFormat=0, articleType=null, articleTypeStr=research-article, receivedDate=1705334400000, receivedDateStr=2024-01-16, revisedDate=null, revisedDateStr=null, acceptedDate=null, acceptedDateStr=null, onlineDate=1768394354633, onlineDateStr=2026-01-14, pubDate=1721577600000, pubDateStr=2024-07-22, doiRegisterDate=null, doiRegisterDateStr=null, onlineIssueDate=1768394354633, onlineIssueDateStr=2026-01-14, onlineJustAcceptDate=null, onlineJustAcceptDateStr=null, onlineFirstDate=null, onlineFirstDateStr=null, sourceXml=null, magXml=null, createTime=1768394354633, creator=13701087609, updateTime=1768394354633, updator=13701087609, issue=Issue{id=1218297478793843630, tenantId=1146029695717560320, journalId=1190317699101192196, year='2024', volume='59', issue='14', pageStart='1273', pageEnd='1358', issueExtLink='null', onlineDate='null', pubDate='null', beforeIssueId=null, nextIssueId=null, price=null, status=1, issueComplete=1, articleOrder=1, issueType=-1, specialIssue=null, createTime=1768394353817, creator=13701087609, updateTime=1768394585064, updator=13701087609, preIssue=null, nextIssue=null, ext={EN=IssueExt(id=1218298448764387533, tenantId=1146029695717560320, journalId=1190317699101192196, issueId=1218297478793843630, language=EN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=), CN=IssueExt(id=1218298448764387534, tenantId=1146029695717560320, journalId=1190317699101192196, issueId=1218297478793843630, language=CN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=)}, issueFiles=null}, startPage=1339, endPage=1346, ext={EN=ArticleExt(id=1218297482497414140, articleId=1218297482220590056, tenantId=1146029695717560320, journalId=1190317699101192196, language=EN, title=Qualitative Analysis of Zhuang Medicine Tongfeng Li'an Capsule by Q-Exactive Orbitrap HRMS Mass Spectrometry, columnId=null, journalTitle=Chinese Pharmaceutical Journal, columnName=null, runingTitle=null, highlight=null, articleAbstract=

OBJECTIVE To establish a high-throughput qualitative analysis method for the Zhuang medicine Tongfeng Li'an Capsule use by Q-exactive orbitrap HRMS mass spectrometry. METHODS HPLC part on GOLD C18 column(2.1 mm×100 mm,1.9 μm) and the gradient elution was performed with mobile phase consisting of 0.1% formic acid acetonitrile -0.1% formic acid aqueous solution. Flow velocity was 0.3 mL·min-1, injection volume was 3 μL, column temperature was maintained at 35 ℃, mass spectrometry part used HESI ion source, Full MS/dd-MS2 mode, ion scan range 100-1 500, vertex excitation for 2-8 s. RESULTS A total of 49 compounds were identified from Tongfeng Li'an Capsule by orbitrap HRMS, including 19 phenylpropanoids, 11 terpenes, 10 organic acids, 3 phenols, 2 anthraquinone, 2 alkaloids and vitamins, and 2 sugars and glycols. Among them, 46 compounds were identified for the first time from Tongfeng Li'an Capsule. CONCLUSION Data for high-resolution gather with orbitrap HRMS method was the first time comprehensive qualitative characterization conducted on Tongfeng Li'an Capsule, This provides a material basis and new scientific research basis and reference for its multi-component analysis application, quality standard improvement, and pharmacological research.

, correspAuthors=Song CHEN, 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, authorCompany=null, fund=null, authors=null, authorsList=Qiang LIAO, Song CHEN, Yunrong LI, Li LI, Huan WEI), CN=ArticleExt(id=1218297483650846790, articleId=1218297482220590056, tenantId=1146029695717560320, journalId=1190317699101192196, language=CN, title=静电场轨道阱高分辨质谱技术在壮药痛风立安胶囊中的定性应用, columnId=1190352405612040510, journalTitle=中国药学杂志, columnName=论著, runingTitle=null, highlight=null, articleAbstract=

目的 利用静电场轨道阱高分辨质谱技术(Orbitrap HRMS),建立壮药制剂痛风立安胶囊的高通量定性筛查方法。方法 液相部分采用GOLD C18(2.1 mm×100 mm, 1.9 μm)色谱柱,以体积分数0.1%甲酸水-0.1%甲酸乙腈为流动相梯度洗脱,流速0.3 mL·min-1,进样量3 μL;柱温35 ℃;质谱部分采用HESI离子源,Full MS/dd-MS2模式,离子扫描范围100~1 500,顶点激发2~8 s。结果 通过Orbitrap HRMS的高通量筛查方法共筛选出49个化合物,包括苯丙素类19个,萜类11个,有机酸类10个,酚类3个,蒽醌类2个,生物碱及维生素类2个,糖及糖醇类2个,其中有46个化合物为从痛风立安胶囊中首次鉴定得到。结论 通过Orbitrap HRMS技术采集的高分辨数据建立的方法,首次对痛风立安胶囊进行了全面的定性表征,为其多组分分析应用及质量标准提升、药效研究提供了物质基础及新的科学研究依据和参考。

, correspAuthors=陈松, authorNote=null, correspAuthorsNote=
* 陈松,男,硕士,副主任药师 研究方向:药品工艺及制剂生产 Tel:(0771)3376676
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廖强,男,硕士,副主任药师 研究方向:药品质量分析及审评

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廖强,男,硕士,副主任药师 研究方向:药品质量分析及审评

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廖强,男,硕士,副主任药师 研究方向:药品质量分析及审评

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A-positive ion mode; B-negative ion mode; Each peak number in the figure corresponds to the compound number in Tab.1.

, figureFileSmall=fYmesWj2s71GTLsRLWr/oA==, figureFileBig=3LpOKYqy++t66VuwU8lmbQ==, tableContent=null), ArticleFig(id=1218297488289747204, tenantId=1146029695717560320, journalId=1190317699101192196, articleId=1218297482220590056, language=CN, label=图1, caption=痛风立安胶囊供试品总离子流图

A-正离子模式;B-负离子模式;图中各峰序号与表1中化合物序号相对应。

, figureFileSmall=fYmesWj2s71GTLsRLWr/oA==, figureFileBig=3LpOKYqy++t66VuwU8lmbQ==, tableContent=null), ArticleFig(id=1218297488495268108, tenantId=1146029695717560320, journalId=1190317699101192196, articleId=1218297482220590056, language=EN, label=Fig.2, caption=Secondary mass spectrogram and cleavage pathway of fraxinol (positive ion mode), figureFileSmall=b9DxQfkfLE87/YdLuQ00Hw==, figureFileBig=GmJ4rvHzD1aijCs8c8hhng==, tableContent=null), ArticleFig(id=1218297488570765583, tenantId=1146029695717560320, journalId=1190317699101192196, articleId=1218297482220590056, language=CN, label=图2, caption=白蜡树精二级质谱图及质谱裂解途径(正离子模式), figureFileSmall=b9DxQfkfLE87/YdLuQ00Hw==, figureFileBig=GmJ4rvHzD1aijCs8c8hhng==, tableContent=null), ArticleFig(id=1218297488658845970, tenantId=1146029695717560320, journalId=1190317699101192196, articleId=1218297482220590056, language=EN, label=Fig.3, caption=Secondary mass spectrogram and cleavage pathway of isovitexin (positive ion mode), figureFileSmall=Y2/jFej9Ry7L+30X770qtg==, figureFileBig=aj63Ky5PJrAT4p5lg2RrVQ==, tableContent=null), ArticleFig(id=1218297488734343446, tenantId=1146029695717560320, journalId=1190317699101192196, articleId=1218297482220590056, language=CN, label=图3, caption=异牡荆素二级质谱图及质谱裂解途径(正离子模式), figureFileSmall=Y2/jFej9Ry7L+30X770qtg==, figureFileBig=aj63Ky5PJrAT4p5lg2RrVQ==, tableContent=null), ArticleFig(id=1218297488788869399, tenantId=1146029695717560320, journalId=1190317699101192196, articleId=1218297482220590056, language=EN, label=Fig.4, caption=Secondary mass spectrogram and cleavage pathway of sweroside(positive ion mode), figureFileSmall=5xEuu/BGGAGFp20kpOo7IA==, figureFileBig=G0dUAwNeeT1PdRkSsdqNOA==, tableContent=null), ArticleFig(id=1218297488851783962, tenantId=1146029695717560320, journalId=1190317699101192196, articleId=1218297482220590056, language=CN, label=图4, caption=獐牙菜苷二级质谱图及质谱裂解途径(正离子模式), figureFileSmall=5xEuu/BGGAGFp20kpOo7IA==, figureFileBig=G0dUAwNeeT1PdRkSsdqNOA==, tableContent=null), ArticleFig(id=1218297488952447263, tenantId=1146029695717560320, journalId=1190317699101192196, articleId=1218297482220590056, language=EN, label=Fig.5, caption=Secondary mass spectrogram and cleavage pathway of isochlorogenic acid (negative ion mode), figureFileSmall=i+tLU7ftlOFaeV7SFlSJ5g==, figureFileBig=QKQh5ZKcd/wBVqCDLKGnuQ==, tableContent=null), ArticleFig(id=1218297489032139038, tenantId=1146029695717560320, journalId=1190317699101192196, articleId=1218297482220590056, language=CN, label=图5, caption=异绿原酸二级质谱图及质谱裂解途径(负离子模式), figureFileSmall=i+tLU7ftlOFaeV7SFlSJ5g==, figureFileBig=QKQh5ZKcd/wBVqCDLKGnuQ==, tableContent=null), ArticleFig(id=1218297489107636511, tenantId=1146029695717560320, journalId=1190317699101192196, articleId=1218297482220590056, language=EN, label=Tab.1, caption=

Qualitative results of Tongfeng Li'an Capsules compounds

, figureFileSmall=null, figureFileBig=null, tableContent=
No. Compound
(in Chinese)		 Category CAS tR
/min		 Molecular
formula		 Mode m/z Secondary
fragment		 Source
Theory Actual Deviation
1 Quinic acid (右旋奎宁酸) organic acids 77-95-2 0.64 C7H12O6 [M-H]- 191.056 11 191.056 08 -0.17 127.04,109.029,93.034 1,
85.029		 Sarcandrae Herba,Lonicerae Japonicae Caulis,Dioscoreae Hypoglaucae Rhizoma,Herba Clematidis
2 Sucrose(蔗糖) sugars and glycols 57-50-1 0.64 C12H22O11 [M-H]- 341.108 93 341.108 98 0.14 179.056 7,89.024 4 Lonicerae Japonicae Caulis,Cynanchi Paniculati Radix et Rhizoma,Polygoni Cuspidati Rhizoma et Radix
3 Mannitol(甘露醇) sugars and glycols 87-78-5 0.67 C6H14O6 [M-H]- 181.071 76 181.071 64 -0.66 101.024 5,89.024 5,71.013 8,
55.018 8		 Plantaginis Herba,Herba Clematidis,Dioscoreae Hypoglaucae Rhizoma,Sarcandrae Herba
4 Shikimic acid (莽草酸)1) organic acids 138-59-0 0.67 C7H10O5 [M-H]- 173.045 55 173.045 07 -2.74 155.034 4,137.024,111.044 7,
93.034 2,83.049 8		 Sarcandrae Herba,Dioscoreae Hypoglaucae Rhizoma
5 Citric acid (枸橼酸) 1) organic acids 77-92-9 0.7 C6H8O7 [M-H]- 191.019 73 191.019 81 0.39 111.008 4,87.008 5,85.029 3,
57.034 4		 Dioscoreae Hypoglaucae Rhizoma,Lonicerae Japonicae Caulis,Cynanchi Paniculati Radix et Rhizoma,Polygoni Cuspidati Rhizoma et Radix,Glycyrrhizae Radix et Rhizoma,Plantaginis Herba,Sarcandrae Herba
6 Nicotinamide (烟酰胺) 1) vitamins 98-92-0 0.94 C6H6N2O [M+H]+ 123.055 29 123.055 58 2.35 106.029,96.044 9,95.049 6 Impatientis Caulis,Glycyrrhizae Radix et Rhizoma,Polygoni Cuspidati Rhizoma et Radix,Lonicerae Japonicae Caulis,Sarcandrae Herba
7 Gallic acid(没食子酸) 1) organic acids 149-91-7 1.02 C7H6O5 [M-H]- 169.014 25 169.013 89 -2.15 125.024 1,107.013 4,97.029,
81.034 1,69.034 2		 Sarcandrae Herba,Dioscoreae Hypoglaucae Rhizoma,Polygoni Cuspidati Rhizoma et Radix
8 Geniposidic acid(京尼平苷酸) terpenes 27 741-01-1 1.71 C16H22O10 [M-H]- 373.114 02 373.114 53 1.37 123.044 8,113.024,89.024,
87.008 4		 Plantaginis Herba,Lonicerae Japonicae Caulis
9 3,4-Dihydroxyphenylethanol(羟基
酪醇)		 phenols 10 597-60-1 1.78 C8H10O3 [M-H]- 153.055 72 153.055 25 -3.05 123.044 9,108.021 5,95.013 3,
81.034 3		 Plantaginis Herba
10 Cryptochlorogenic acid (隐绿原酸) organic acids 905-99-7 1.9 C16H18O9 [M-H]- 353.087 81 353.087 95 0.4 179.034 8,155.034 7,135.044 8,
93.034,85.029		 Lonicerae Japonicae Caulis,Herba Clematidis
11 Chlorogenic acid (绿原酸)1) organic acids 327-97-9 1.96 C16H18O9 [M-H]- 353.087 81 353.087 92 0.31 163.039 1,145.028 6,135.044 3,
111.044 5		 Lonicerae Japonicae Caulis,Herba Clematidis,Sarcandrae Herba
12 Protocatechuic acid(原儿茶酸) 1) organic acids 99-50-3 1.98 C7H6O4 [M-H]- 153.019 33 153.019 58 1.61 109.029 5,108.021 8,81.034 5,
65.039 5		 Polygoni Cuspidati Rhizoma et Radix,Lonicerae Japonicae Caulis,Herba Clematidis,Sarcandrae Herba,Dioscoreae Hypoglaucae Rhizoma,Plantaginis Herba
13 Protocatechualdehyde(原儿茶醛) 1) organic acids 139-85-5 2.63 C7H6O3 [M-H]- 137.024 42 137.023 93 -3.6 109.029 4,108.021 7,93.034 2,
81.034 2,65.039 6		 Polygoni Cuspidati Rhizoma et Radix,Lonicerae Japonicae Caulis,Herba Clematidis,Sarcandrae Herba,Dioscoreae Hypoglaucae Rhizoma,Plantaginis Herba
14 4-Hydroxybenzoic acid(对羟基苯
甲酸)		 organic acids 99-96-7 2.88 C7H6O3 [M-H]- 137.024 42 137.023 94 -3.49 93.034 2,92.919 6,65.039 3 Cynanchi Paniculati Radix et Rhizoma
15 Paeonol(丹皮酚) 1) phenols 552-41-0 3.96 C9H10O3 [M+H]+ 167.070 27 167.069 87 -2.39 125.059 5,121.064 7,111.044 1,
91.054 2,84.96,53.039		 Sarcandrae Herba,Lonicerae Japonicae Caulis,Cynanchi Paniculati Radix et Rhizoma
16 Sweroside(獐芽菜苷) terpenes 14 215-86-2 6.28 C16H22O9 [M+H]+ 359.133 36 359.133 63 -0.91 197.081,179.070 5,151.039 3,
127.039 3,109.065 3		 Lonicerae Japonicae Caulis
17 Paeonolide (丹皮酚原苷) terpenes 72 520-92-4 6.44 C20H28O12 [M+Na]+ 483.147 3 483.146 79 -1.05 483.147 7,441.137 6,317.084 6,
189.052 4		 Cynanchi Paniculati Radix et Rhizoma
18 Loganin(马钱子苷) terpenes 29 949-72-2 6.5 C17H26O10 [M+NH4]+ 408.186 42 408.186 43 0.02 227.093,127.040 3,101.024 5,
67.019		 Lonicerae Japonicae Caulis
19 (+)-Magnoflorine (木兰花碱) alkaloids 2 191-49-5 6.85 C20H24NO4 [M]+ 342.169 98 342.169 74 -0.7 297.112 3,282.089,265.086,
237.091		 Dioscoreae Hypoglaucae Rhizoma
20 Vicenin Ⅱ(维采宁Ⅱ) phenylpropanoids 23 666-13-9 7 C27H30O15 [M+H]+ 595.165 75 595.165 47 -0.47 391.079 6,349.070 2,337.070 2,
325.069 4,295.059 4		 Lonicerae Japonicae Caulis,Herba Clematidis
21 7-Hydroxycoumarin(7-羟基香豆素) phenylpropanoids 93-35-6 7.04 C9H6O3 [M+H]+ 163.038 97 163.038 93 -0.27 135.044 5,119.048 9,107.049 3,
91.054 5		 Plantaginis Herba,Herba Clematidis,Lonicerae Japonicae Caulis
22 Secoxyloganin(断氧化马钱苷) terpenes 58 822-47-2 7.33 C17H24O11 [M-H]- 403.124 58 403.124 45 -0.32 123.045,121.029 3,111.008 4,
101.024 3,95.049 8,89.024,
71.013 4,69.034 2		 Lonicerae Japonicae Caulis
23 4-Methyl-6,7-dihydroxycoumarin
(异莨菪亭或6,7-二羟基-4-甲
基香豆素)		 phenylpropanoids 776-86-3
529-84-0		 7.34 C10H8O4 [M+H]+ 193.049 54 193.049 44 -0.52 165.054 2,147.043 9,137.059 8,
123.043 9,119.049 5		 Lonicerae Japonicae Caulis,Herba Clematidis,Glycyrrhizae Radix et Rhizoma
24 Schaftoside (夏佛塔苷) 1) phenylpropanoids 51 938-32-0 8.01 C26H28O14 [M+H]+ 565.155 18 565.155 4 0.38 403.080 8,391.08,379.080 7,
361.069 3,337.069 5,325.069 4,
307.059 7,295.058 9		 Impatientis Caulis,Glycyrrhizae Radix et Rhizoma,Plantaginis Herba
25 (-)-Syringaresinol di-O-glucoside
(丁香树脂醇双葡萄糖苷)		 phenylpropanoids 66 791-77-3 8.43 C34H46O18 [M+NH4]+ 760.302 24 760.301 45 -1.03 383.148 4,330.109 3,265.106 7,
217.085 7,205.085 7,167.070 1		 Impatientis Caulis,Lonicerae Japonicae Caulis
26 Polydatin(Polygoni Cuspidati
Rhizoma et Radix苷) 1)		 phenylpropanoids 27 208-80-6 8.51 C20H22O8 [M-H]- 389.124 19 389.126 01 4.66 389,1 243,227.072,185.061 3,
143.050 2		 Polygoni Cuspidati Rhizoma et Radix
27 Plantamajoside(大车前苷) phenylpropanoids 104 777-68-6 8.65 C29H36O16 [M-H]- 639.193 06 639.195 19 3.33 315.108 5,179.034 8,161.023 8,
133.029 2,113.024,71.013 5		 Plantaginis Herba
28 Isofraxidin(异嗪皮啶) phenylpropanoids 486-21-5 8.66 C11H10O5 [M+H]+ 223.060 1 223.06 -0.45 208.036 7,190.026,163.038 9,
135.044,107.049 5		 Sarcandrae Herba
29 Isovitexin(异牡荆素) phenylpropanoids 38 953-85-4 8.87 C21H20O10 [M+H]+ 433.112 92 433.112 76 -0.36 379.081 5,361.070 4,349.070 8,
337.070 8,323.092,313.070 7,
283.060 8		 Plantaginis Herba,Herba Clematidis,Glycyrrhizae Radix et Rhizoma
30 Rutin(芦丁) 1) phenylpropanoids 153-18-4 8.89 C27H30O16 [M-H]- 609.146 11 609.147 4 2.11 300.027 7,271.024 9,243.039 4,
151.002 9		 Herba Clematidis
31 Fraxinol(白蜡树精) phenylpropanoids 486-28-2 9.1 C11H10O5 [M+H]+ 223.060 1 223.060 06 -0.18 208.036 4,190.025 9,163.039,
135.044 4,107.049 6		 Sarcandrae Herba
32 Cynaroside (木犀草苷) 1) phenylpropanoids 5 373-11-5 9.18 C21H20O11 [M-H]- 447.093 28 447.093 66 0.84 285.040 3,256.037 6,227.034 8,
199.039 8,151.003 3,133.029		 Polygoni Cuspidati Rhizoma et Radix,Lonicerae Japonicae Caulis,Plantaginis Herba
33 Isoforsythiaside A(异连翘酯苷A) phenylpropanoids 1 357 910-26-9 9.25 C29H36O15 [M+H]+ 625.212 7 625.212 1 -0.96 179.034 8,161.023 8,133.029 2,
101.024		 Plantaginis Herba
34 4-Methylumbelliferone(7-羟基-4-甲
基香豆素)		 phenylpropanoids 90-33-5 9.25 C10H8O3 [M+H]+ 177.054 62 177.054 47 -0.82 149.059 9,133.065,121.065 2,
105.07,91.054 4		 Sarcandrae Herba,Lonicerae Japonicae Caulis,Herba Clematidis
35 Acteoside(毛蕊花糖苷) 1) phenylpropanoids 61 276-17-3 9.4 C29H36O15 [M-H]- 623.198 14 623.198 91 1.24 161.023 8,135.045 1,133.029 2,
113.023 9,95.013 8,85.029		 Plantaginis Herba
36 Calceolarioside B(木通苯乙醇苷B) phenylpropanoids 105 471-98-5 9.53 C23H26O11 [M+H]+ 479.154 79 479.154 45 -0.71 325.092 7,263.091 7,245.080 4,
221.081 1,163.039		 Plantaginis Herba
37 Isoacteoside (异麦角甾苷) phenylpropanoids 61 303-13-7 9.89 C29H36O15 [M+H]+ 625.212 7 625.212 28 -0.67 179.035 2,161.023 8,133.029 2,
113.024 1		 Plantaginis Herba
38 Apigenin 7-O-glucuronide (芹菜素-
7-O-葡萄糖醛酸苷)		 phenylpropanoids 29 741-09-1 10.03 C21H18O11 [M-H]- 445.077 63 445.078 49 1.93 269.045 6,175.024 6,113.023 9,
99.008 3,71.013 4		 Plantaginis Herba
39 Isochlorogenic acid A/B/C (异绿原
酸A或B或C)		 organic acids 14 534-61-3 10.44 C25H24O12 [M-H]- 515.119 5 515.120 14 1.43 353.088 3,191.056 1,179.034 9,
173.045 2,135.044 8,93.034 1		 Lonicerae Japonicae Caulis,Sarcandrae Herba
40 Resveratrol (白藜芦醇) phenols 501-36-0 11.19 C14H12O3 [M+H]+ 229.085 92 229.084 98 -4.11 211.075 2,183.080 2,165.069 3,
135.043 6,119.048 8,107.049,91.054 2		 Polygoni Cuspidati Rhizoma et Radix
41 Emodin-8-O-β-D-glucopyranoside
(大黄素-8-O-β-D-吡喃葡萄糖苷)		 anthraquinone 23 313-21-5 13.15 C21H20O10 [M-H]- 431.098 37 431.098 21 -0.38 269.045 4,240.042 7,225.055 5,
210.032 1,181.065 7		 Polygoni Cuspidati Rhizoma et Radix
42 Genistein(染料木素) phenylpropanoids 446-72-0 13.8 C15H10O5 [M-H]- 269.045 55 269.045 75 0.72 224.047,181.065 8,159.044 3,
133.029 2,107.013 4		 Dioscoreae Hypoglaucae Rhizoma,Polygoni Cuspidati Rhizoma et Radix
43 Hederacoside C(常春藤苷C) terpenes 14 216-03-6 15.39 C59H96O26 [M+H]+ 1 221.626 26 1 221.624 51 -1.43 189.164 1,147.065 3,129.054 9,
111.044 5		 Herba Clematidis
44 Pseudoprotodioscin(伪原薯蓣皂苷) terpenes 102 115-79-7 16.99 C51H82O21 [M+H]+ 1 031.542 14 1 031.540 41 -1.68 723.432 6,415.320 3,271.205 5,
253.194 9		 Dioscoreae Hypoglaucae Rhizoma
45 Glycyrrhizic acid(甘草酸) / Glycyr-
rhizic acid ammonium salt(甘草
酸铵) 1)		 terpenes 1 405-86-3
53 956-04-0		 18.09 C42H62O16
C42H62O16NH3		 [M-H]- 821.396 51 821.397 95 1.75 453.334 2,407.329 4,351.056 6,
193.035, 113.024 2,99.008 5,
71.013 3		 Glycyrrhizae Radix et Rhizoma
46 Aloeemodin (芦荟大黄素) 1) anthraquinone 481-72-1 20.35 C15H10O5 [M-H]- 269.045 5 269.045 0.51 269.044 95,240.042 07 Polygoni Cuspidati Rhizoma et Radix,Dioscoreae Hypoglaucae Rhizoma
47 α-Hederin(α-常春藤苷) terpenes 35 790-95-5 20.78 C41H66O12 [M+H]+ 751.462 7 751.461 -2.26 455.351 5,437.341 6,409.346 1,
225.076 3,203.179 6,147.065 5,
129.054 6		 Herba Clematidis
48 Pulchinenoside A(白头翁皂苷A) terpenes 129 724-84-1 21.21 C41H66O12 [M+H]+ 751.462 7 751.461 3 -1.85 455.351 9,437.341 6,409.346 4,
279.107 7,203.179 5,147.065 3,129.054 6,115.039 3		 Herba Clematidis
49 Dioscin(薯蓣皂苷) 1) terpenes 19 057-60-4 23.28 C45H72O16 [M+HCO2]+ 913.480 24 913.483 28 3.32 867.474 6,721.418 1,113.023 9,
89.023 9		 Dioscoreae Hypoglaucae
Rhizoma
), ArticleFig(id=1218297489208299810, tenantId=1146029695717560320, journalId=1190317699101192196, articleId=1218297482220590056, language=CN, label=表1, caption=

痛风立安胶囊化合物定性结果

, figureFileSmall=null, figureFileBig=null, tableContent=
No. Compound
(in Chinese)		 Category CAS tR
/min		 Molecular
formula		 Mode m/z Secondary
fragment		 Source
Theory Actual Deviation
1 Quinic acid (右旋奎宁酸) organic acids 77-95-2 0.64 C7H12O6 [M-H]- 191.056 11 191.056 08 -0.17 127.04,109.029,93.034 1,
85.029		 Sarcandrae Herba,Lonicerae Japonicae Caulis,Dioscoreae Hypoglaucae Rhizoma,Herba Clematidis
2 Sucrose(蔗糖) sugars and glycols 57-50-1 0.64 C12H22O11 [M-H]- 341.108 93 341.108 98 0.14 179.056 7,89.024 4 Lonicerae Japonicae Caulis,Cynanchi Paniculati Radix et Rhizoma,Polygoni Cuspidati Rhizoma et Radix
3 Mannitol(甘露醇) sugars and glycols 87-78-5 0.67 C6H14O6 [M-H]- 181.071 76 181.071 64 -0.66 101.024 5,89.024 5,71.013 8,
55.018 8		 Plantaginis Herba,Herba Clematidis,Dioscoreae Hypoglaucae Rhizoma,Sarcandrae Herba
4 Shikimic acid (莽草酸)1) organic acids 138-59-0 0.67 C7H10O5 [M-H]- 173.045 55 173.045 07 -2.74 155.034 4,137.024,111.044 7,
93.034 2,83.049 8		 Sarcandrae Herba,Dioscoreae Hypoglaucae Rhizoma
5 Citric acid (枸橼酸) 1) organic acids 77-92-9 0.7 C6H8O7 [M-H]- 191.019 73 191.019 81 0.39 111.008 4,87.008 5,85.029 3,
57.034 4		 Dioscoreae Hypoglaucae Rhizoma,Lonicerae Japonicae Caulis,Cynanchi Paniculati Radix et Rhizoma,Polygoni Cuspidati Rhizoma et Radix,Glycyrrhizae Radix et Rhizoma,Plantaginis Herba,Sarcandrae Herba
6 Nicotinamide (烟酰胺) 1) vitamins 98-92-0 0.94 C6H6N2O [M+H]+ 123.055 29 123.055 58 2.35 106.029,96.044 9,95.049 6 Impatientis Caulis,Glycyrrhizae Radix et Rhizoma,Polygoni Cuspidati Rhizoma et Radix,Lonicerae Japonicae Caulis,Sarcandrae Herba
7 Gallic acid(没食子酸) 1) organic acids 149-91-7 1.02 C7H6O5 [M-H]- 169.014 25 169.013 89 -2.15 125.024 1,107.013 4,97.029,
81.034 1,69.034 2		 Sarcandrae Herba,Dioscoreae Hypoglaucae Rhizoma,Polygoni Cuspidati Rhizoma et Radix
8 Geniposidic acid(京尼平苷酸) terpenes 27 741-01-1 1.71 C16H22O10 [M-H]- 373.114 02 373.114 53 1.37 123.044 8,113.024,89.024,
87.008 4		 Plantaginis Herba,Lonicerae Japonicae Caulis
9 3,4-Dihydroxyphenylethanol(羟基
酪醇)		 phenols 10 597-60-1 1.78 C8H10O3 [M-H]- 153.055 72 153.055 25 -3.05 123.044 9,108.021 5,95.013 3,
81.034 3		 Plantaginis Herba
10 Cryptochlorogenic acid (隐绿原酸) organic acids 905-99-7 1.9 C16H18O9 [M-H]- 353.087 81 353.087 95 0.4 179.034 8,155.034 7,135.044 8,
93.034,85.029		 Lonicerae Japonicae Caulis,Herba Clematidis
11 Chlorogenic acid (绿原酸)1) organic acids 327-97-9 1.96 C16H18O9 [M-H]- 353.087 81 353.087 92 0.31 163.039 1,145.028 6,135.044 3,
111.044 5		 Lonicerae Japonicae Caulis,Herba Clematidis,Sarcandrae Herba
12 Protocatechuic acid(原儿茶酸) 1) organic acids 99-50-3 1.98 C7H6O4 [M-H]- 153.019 33 153.019 58 1.61 109.029 5,108.021 8,81.034 5,
65.039 5		 Polygoni Cuspidati Rhizoma et Radix,Lonicerae Japonicae Caulis,Herba Clematidis,Sarcandrae Herba,Dioscoreae Hypoglaucae Rhizoma,Plantaginis Herba
13 Protocatechualdehyde(原儿茶醛) 1) organic acids 139-85-5 2.63 C7H6O3 [M-H]- 137.024 42 137.023 93 -3.6 109.029 4,108.021 7,93.034 2,
81.034 2,65.039 6		 Polygoni Cuspidati Rhizoma et Radix,Lonicerae Japonicae Caulis,Herba Clematidis,Sarcandrae Herba,Dioscoreae Hypoglaucae Rhizoma,Plantaginis Herba
14 4-Hydroxybenzoic acid(对羟基苯
甲酸)		 organic acids 99-96-7 2.88 C7H6O3 [M-H]- 137.024 42 137.023 94 -3.49 93.034 2,92.919 6,65.039 3 Cynanchi Paniculati Radix et Rhizoma
15 Paeonol(丹皮酚) 1) phenols 552-41-0 3.96 C9H10O3 [M+H]+ 167.070 27 167.069 87 -2.39 125.059 5,121.064 7,111.044 1,
91.054 2,84.96,53.039		 Sarcandrae Herba,Lonicerae Japonicae Caulis,Cynanchi Paniculati Radix et Rhizoma
16 Sweroside(獐芽菜苷) terpenes 14 215-86-2 6.28 C16H22O9 [M+H]+ 359.133 36 359.133 63 -0.91 197.081,179.070 5,151.039 3,
127.039 3,109.065 3		 Lonicerae Japonicae Caulis
17 Paeonolide (丹皮酚原苷) terpenes 72 520-92-4 6.44 C20H28O12 [M+Na]+ 483.147 3 483.146 79 -1.05 483.147 7,441.137 6,317.084 6,
189.052 4		 Cynanchi Paniculati Radix et Rhizoma
18 Loganin(马钱子苷) terpenes 29 949-72-2 6.5 C17H26O10 [M+NH4]+ 408.186 42 408.186 43 0.02 227.093,127.040 3,101.024 5,
67.019		 Lonicerae Japonicae Caulis
19 (+)-Magnoflorine (木兰花碱) alkaloids 2 191-49-5 6.85 C20H24NO4 [M]+ 342.169 98 342.169 74 -0.7 297.112 3,282.089,265.086,
237.091		 Dioscoreae Hypoglaucae Rhizoma
20 Vicenin Ⅱ(维采宁Ⅱ) phenylpropanoids 23 666-13-9 7 C27H30O15 [M+H]+ 595.165 75 595.165 47 -0.47 391.079 6,349.070 2,337.070 2,
325.069 4,295.059 4		 Lonicerae Japonicae Caulis,Herba Clematidis
21 7-Hydroxycoumarin(7-羟基香豆素) phenylpropanoids 93-35-6 7.04 C9H6O3 [M+H]+ 163.038 97 163.038 93 -0.27 135.044 5,119.048 9,107.049 3,
91.054 5		 Plantaginis Herba,Herba Clematidis,Lonicerae Japonicae Caulis
22 Secoxyloganin(断氧化马钱苷) terpenes 58 822-47-2 7.33 C17H24O11 [M-H]- 403.124 58 403.124 45 -0.32 123.045,121.029 3,111.008 4,
101.024 3,95.049 8,89.024,
71.013 4,69.034 2		 Lonicerae Japonicae Caulis
23 4-Methyl-6,7-dihydroxycoumarin
(异莨菪亭或6,7-二羟基-4-甲
基香豆素)		 phenylpropanoids 776-86-3
529-84-0		 7.34 C10H8O4 [M+H]+ 193.049 54 193.049 44 -0.52 165.054 2,147.043 9,137.059 8,
123.043 9,119.049 5		 Lonicerae Japonicae Caulis,Herba Clematidis,Glycyrrhizae Radix et Rhizoma
24 Schaftoside (夏佛塔苷) 1) phenylpropanoids 51 938-32-0 8.01 C26H28O14 [M+H]+ 565.155 18 565.155 4 0.38 403.080 8,391.08,379.080 7,
361.069 3,337.069 5,325.069 4,
307.059 7,295.058 9		 Impatientis Caulis,Glycyrrhizae Radix et Rhizoma,Plantaginis Herba
25 (-)-Syringaresinol di-O-glucoside
(丁香树脂醇双葡萄糖苷)		 phenylpropanoids 66 791-77-3 8.43 C34H46O18 [M+NH4]+ 760.302 24 760.301 45 -1.03 383.148 4,330.109 3,265.106 7,
217.085 7,205.085 7,167.070 1		 Impatientis Caulis,Lonicerae Japonicae Caulis
26 Polydatin(Polygoni Cuspidati
Rhizoma et Radix苷) 1)		 phenylpropanoids 27 208-80-6 8.51 C20H22O8 [M-H]- 389.124 19 389.126 01 4.66 389,1 243,227.072,185.061 3,
143.050 2		 Polygoni Cuspidati Rhizoma et Radix
27 Plantamajoside(大车前苷) phenylpropanoids 104 777-68-6 8.65 C29H36O16 [M-H]- 639.193 06 639.195 19 3.33 315.108 5,179.034 8,161.023 8,
133.029 2,113.024,71.013 5		 Plantaginis Herba
28 Isofraxidin(异嗪皮啶) phenylpropanoids 486-21-5 8.66 C11H10O5 [M+H]+ 223.060 1 223.06 -0.45 208.036 7,190.026,163.038 9,
135.044,107.049 5		 Sarcandrae Herba
29 Isovitexin(异牡荆素) phenylpropanoids 38 953-85-4 8.87 C21H20O10 [M+H]+ 433.112 92 433.112 76 -0.36 379.081 5,361.070 4,349.070 8,
337.070 8,323.092,313.070 7,
283.060 8		 Plantaginis Herba,Herba Clematidis,Glycyrrhizae Radix et Rhizoma
30 Rutin(芦丁) 1) phenylpropanoids 153-18-4 8.89 C27H30O16 [M-H]- 609.146 11 609.147 4 2.11 300.027 7,271.024 9,243.039 4,
151.002 9		 Herba Clematidis
31 Fraxinol(白蜡树精) phenylpropanoids 486-28-2 9.1 C11H10O5 [M+H]+ 223.060 1 223.060 06 -0.18 208.036 4,190.025 9,163.039,
135.044 4,107.049 6		 Sarcandrae Herba
32 Cynaroside (木犀草苷) 1) phenylpropanoids 5 373-11-5 9.18 C21H20O11 [M-H]- 447.093 28 447.093 66 0.84 285.040 3,256.037 6,227.034 8,
199.039 8,151.003 3,133.029		 Polygoni Cuspidati Rhizoma et Radix,Lonicerae Japonicae Caulis,Plantaginis Herba
33 Isoforsythiaside A(异连翘酯苷A) phenylpropanoids 1 357 910-26-9 9.25 C29H36O15 [M+H]+ 625.212 7 625.212 1 -0.96 179.034 8,161.023 8,133.029 2,
101.024		 Plantaginis Herba
34 4-Methylumbelliferone(7-羟基-4-甲
基香豆素)		 phenylpropanoids 90-33-5 9.25 C10H8O3 [M+H]+ 177.054 62 177.054 47 -0.82 149.059 9,133.065,121.065 2,
105.07,91.054 4		 Sarcandrae Herba,Lonicerae Japonicae Caulis,Herba Clematidis
35 Acteoside(毛蕊花糖苷) 1) phenylpropanoids 61 276-17-3 9.4 C29H36O15 [M-H]- 623.198 14 623.198 91 1.24 161.023 8,135.045 1,133.029 2,
113.023 9,95.013 8,85.029		 Plantaginis Herba
36 Calceolarioside B(木通苯乙醇苷B) phenylpropanoids 105 471-98-5 9.53 C23H26O11 [M+H]+ 479.154 79 479.154 45 -0.71 325.092 7,263.091 7,245.080 4,
221.081 1,163.039		 Plantaginis Herba
37 Isoacteoside (异麦角甾苷) phenylpropanoids 61 303-13-7 9.89 C29H36O15 [M+H]+ 625.212 7 625.212 28 -0.67 179.035 2,161.023 8,133.029 2,
113.024 1		 Plantaginis Herba
38 Apigenin 7-O-glucuronide (芹菜素-
7-O-葡萄糖醛酸苷)		 phenylpropanoids 29 741-09-1 10.03 C21H18O11 [M-H]- 445.077 63 445.078 49 1.93 269.045 6,175.024 6,113.023 9,
99.008 3,71.013 4		 Plantaginis Herba
39 Isochlorogenic acid A/B/C (异绿原
酸A或B或C)		 organic acids 14 534-61-3 10.44 C25H24O12 [M-H]- 515.119 5 515.120 14 1.43 353.088 3,191.056 1,179.034 9,
173.045 2,135.044 8,93.034 1		 Lonicerae Japonicae Caulis,Sarcandrae Herba
40 Resveratrol (白藜芦醇) phenols 501-36-0 11.19 C14H12O3 [M+H]+ 229.085 92 229.084 98 -4.11 211.075 2,183.080 2,165.069 3,
135.043 6,119.048 8,107.049,91.054 2		 Polygoni Cuspidati Rhizoma et Radix
41 Emodin-8-O-β-D-glucopyranoside
(大黄素-8-O-β-D-吡喃葡萄糖苷)		 anthraquinone 23 313-21-5 13.15 C21H20O10 [M-H]- 431.098 37 431.098 21 -0.38 269.045 4,240.042 7,225.055 5,
210.032 1,181.065 7		 Polygoni Cuspidati Rhizoma et Radix
42 Genistein(染料木素) phenylpropanoids 446-72-0 13.8 C15H10O5 [M-H]- 269.045 55 269.045 75 0.72 224.047,181.065 8,159.044 3,
133.029 2,107.013 4		 Dioscoreae Hypoglaucae Rhizoma,Polygoni Cuspidati Rhizoma et Radix
43 Hederacoside C(常春藤苷C) terpenes 14 216-03-6 15.39 C59H96O26 [M+H]+ 1 221.626 26 1 221.624 51 -1.43 189.164 1,147.065 3,129.054 9,
111.044 5		 Herba Clematidis
44 Pseudoprotodioscin(伪原薯蓣皂苷) terpenes 102 115-79-7 16.99 C51H82O21 [M+H]+ 1 031.542 14 1 031.540 41 -1.68 723.432 6,415.320 3,271.205 5,
253.194 9		 Dioscoreae Hypoglaucae Rhizoma
45 Glycyrrhizic acid(甘草酸) / Glycyr-
rhizic acid ammonium salt(甘草
酸铵) 1)		 terpenes 1 405-86-3
53 956-04-0		 18.09 C42H62O16
C42H62O16NH3		 [M-H]- 821.396 51 821.397 95 1.75 453.334 2,407.329 4,351.056 6,
193.035, 113.024 2,99.008 5,
71.013 3		 Glycyrrhizae Radix et Rhizoma
46 Aloeemodin (芦荟大黄素) 1) anthraquinone 481-72-1 20.35 C15H10O5 [M-H]- 269.045 5 269.045 0.51 269.044 95,240.042 07 Polygoni Cuspidati Rhizoma et Radix,Dioscoreae Hypoglaucae Rhizoma
47 α-Hederin(α-常春藤苷) terpenes 35 790-95-5 20.78 C41H66O12 [M+H]+ 751.462 7 751.461 -2.26 455.351 5,437.341 6,409.346 1,
225.076 3,203.179 6,147.065 5,
129.054 6		 Herba Clematidis
48 Pulchinenoside A(白头翁皂苷A) terpenes 129 724-84-1 21.21 C41H66O12 [M+H]+ 751.462 7 751.461 3 -1.85 455.351 9,437.341 6,409.346 4,
279.107 7,203.179 5,147.065 3,129.054 6,115.039 3		 Herba Clematidis
49 Dioscin(薯蓣皂苷) 1) terpenes 19 057-60-4 23.28 C45H72O16 [M+HCO2]+ 913.480 24 913.483 28 3.32 867.474 6,721.418 1,113.023 9,
89.023 9		 Dioscoreae Hypoglaucae
Rhizoma
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静电场轨道阱高分辨质谱技术在壮药痛风立安胶囊中的定性应用
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廖强 1 , 陈松 2, * , 李运容 2 , 黎丽 2 , 韦环 3
中国药学杂志 | 论著 2024,59(14): 1339-1346
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中国药学杂志 | 论著 2024, 59(14): 1339-1346
静电场轨道阱高分辨质谱技术在壮药痛风立安胶囊中的定性应用
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廖强1, 陈松2, *, 李运容2, 黎丽2, 韦环3
作者信息
  • 1 广西壮族自治区食品药品审评查验中心, 南宁 530022
  • 2 广西国际壮医医院, 南宁 530200
  • 3 广西-东盟食品检验检测中心, 南宁 530022

    • 廖强,男,硕士,副主任药师 研究方向:药品质量分析及审评

通讯作者:

* 陈松,男,硕士,副主任药师 研究方向:药品工艺及制剂生产 Tel:(0771)3376676
Qualitative Analysis of Zhuang Medicine Tongfeng Li'an Capsule by Q-Exactive Orbitrap HRMS Mass Spectrometry
Qiang LIAO1, Song CHEN2, *, Yunrong LI2, Li LI2, Huan WEI3
Affiliations
  • 1 Guangxi Center for Food and Drug Evaluation and Inspection, Nanning 530022, China
  • 2 Guangxi International Zhuang Medicine Hospital, Nanning 530200, China
  • 3 Guangxi-Asean Food Inspection Center, Nanning 530022, China
出版时间: 2024-07-22 doi: 10.11669/cpj.2024.14.010
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目的 利用静电场轨道阱高分辨质谱技术(Orbitrap HRMS),建立壮药制剂痛风立安胶囊的高通量定性筛查方法。方法 液相部分采用GOLD C18(2.1 mm×100 mm, 1.9 μm)色谱柱,以体积分数0.1%甲酸水-0.1%甲酸乙腈为流动相梯度洗脱,流速0.3 mL·min-1,进样量3 μL;柱温35 ℃;质谱部分采用HESI离子源,Full MS/dd-MS2模式,离子扫描范围100~1 500,顶点激发2~8 s。结果 通过Orbitrap HRMS的高通量筛查方法共筛选出49个化合物,包括苯丙素类19个,萜类11个,有机酸类10个,酚类3个,蒽醌类2个,生物碱及维生素类2个,糖及糖醇类2个,其中有46个化合物为从痛风立安胶囊中首次鉴定得到。结论 通过Orbitrap HRMS技术采集的高分辨数据建立的方法,首次对痛风立安胶囊进行了全面的定性表征,为其多组分分析应用及质量标准提升、药效研究提供了物质基础及新的科学研究依据和参考。

静电场轨道阱  /  高分辨质谱  /  痛风立安胶囊  /  壮药  /  定性  /  苯丙素类  /  萜类  /  有机酸类

OBJECTIVE To establish a high-throughput qualitative analysis method for the Zhuang medicine Tongfeng Li'an Capsule use by Q-exactive orbitrap HRMS mass spectrometry. METHODS HPLC part on GOLD C18 column(2.1 mm×100 mm,1.9 μm) and the gradient elution was performed with mobile phase consisting of 0.1% formic acid acetonitrile -0.1% formic acid aqueous solution. Flow velocity was 0.3 mL·min-1, injection volume was 3 μL, column temperature was maintained at 35 ℃, mass spectrometry part used HESI ion source, Full MS/dd-MS2 mode, ion scan range 100-1 500, vertex excitation for 2-8 s. RESULTS A total of 49 compounds were identified from Tongfeng Li'an Capsule by orbitrap HRMS, including 19 phenylpropanoids, 11 terpenes, 10 organic acids, 3 phenols, 2 anthraquinone, 2 alkaloids and vitamins, and 2 sugars and glycols. Among them, 46 compounds were identified for the first time from Tongfeng Li'an Capsule. CONCLUSION Data for high-resolution gather with orbitrap HRMS method was the first time comprehensive qualitative characterization conducted on Tongfeng Li'an Capsule, This provides a material basis and new scientific research basis and reference for its multi-component analysis application, quality standard improvement, and pharmacological research.

Q-exactive orbitrap  /  HRMS mass spectrometry  /  Tongfeng Li'an Capsule  /  Zhuang medicine  /  qualitative analysis  /  phenylpropanoid  /  terpene  /  organic acid
廖强, 陈松, 李运容, 黎丽, 韦环. 静电场轨道阱高分辨质谱技术在壮药痛风立安胶囊中的定性应用. 中国药学杂志, 2024 , 59 (14) : 1339 -1346 . DOI: 10.11669/cpj.2024.14.010
Qiang LIAO, Song CHEN, Yunrong LI, Li LI, Huan WEI. Qualitative Analysis of Zhuang Medicine Tongfeng Li'an Capsule by Q-Exactive Orbitrap HRMS Mass Spectrometry[J]. Chinese Pharmaceutical Journal, 2024 , 59 (14) : 1339 -1346 . DOI: 10.11669/cpj.2024.14.010
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痛风立安胶囊(壮文名称:约黑尹,Ywhei qin)为广西十大民族药院内制剂品种,是由棵褴(肿节风)、棵阴阳莲(虎杖)、构金银(忍冬藤)、构党马(粉萆薢)、哑腿马(车前草)、把拉缓(徐长卿)、棵缓坡(透骨草)、甘草(甘草)等8味药制成,在壮医中具有清热毒、除湿毒、祛风毒、消肿痛等功效,适用于风湿热毒所致的隆芡(痛风)。痛风是由于体内血尿酸过饱和沉积在关节局部等从而诱发炎症反应和组织破坏的进展性代谢疾病,存在高发性、致残性和反复性等特点[1],目前在临床中多采用的降尿酸化学药物主要有非布司他、别嘌呤醇、苯溴马隆、秋水仙碱、非甾体抗炎药和糖皮质激素等[2],然而长期使用这些药物容易导致胃肠道、肾功能损伤等不良反应。中医及民族医在辨证论治及整体观念治疗痛风方面有其独特的优势。
现代的中医将痛风归为痹证的范畴,属于湿热型痹症,而壮医学认为,痛风是由风毒、湿毒、热毒、酸毒等邪毒入侵造成[3],痛风立安胶囊是根据壮医民族药的基本理论,采取排毒扶正的方法并经过长期临床实践和反复的药物筛选研制而成。经查阅文献,壮药痛风立安胶囊基于药理学对痛风的抗炎作用及临床机制研究已有报道[4-5],研究表明痛风立安胶囊可能主要通过木犀草素、槲皮素调控痛风病程中多个靶点,从而抑制细胞因子活性、氧化还原反应及组织炎性渗出等来治疗痛风[6],但未见有关该制剂处方中药材成分及进行多组分同时测定或指纹图谱等相关分析研究报道。因此,对制剂的组分进行分析具有重要意义。四级杆/静电场轨道阱高分辨质谱联用技术(Orbitrap HRMS)近年来在中药化合物分析领域得到了快速发展,由于其高通量、高灵敏度的特性在食品、化妆品、环境等检测行业均得到广泛应用 [7-8]。Orbitrap HRMS技术与常见的四级杆/飞行时间质谱技术(Q-TOF)相比无须实时校准,且最低仅需进行1次全扫描分析即可获得满足分析的高分辨数据,即使没有预先对目标化合物进行条件优化,也可对样品中可能存在的化合物同时进行高通量的定性筛查 [9-10]。
本研究使用Orbitrap HRMS技术对痛风立安胶囊制剂中的活性成分进行定性筛查,并对其活性成分的结构进行归属,建立了该制剂中化合物分析的物质基础,为该制剂的质量控制及药代学等研究提供了一套有效、完整、可控的分析方法。
1 仪器与试药
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四极杆/静电场轨道阱高分辨率质谱仪(Orbitrap HRMS,美国Thermo Fisher公司);XA205DU电子分析天平(十万分之一,德国Sartorius公司);KQ-1000B超声波清洗器(昆山市超声波仪器有限公司);Milli-Q 型超纯水仪(美国密理博公司)。
对照品:芦荟大黄素(批号:110795-202011,按97.5%计)、毛蕊花糖苷(批号:111530-201914,按95.2%计)、没食子酸(批号:110831-201906,按91.5%计)、木犀草苷(批号:111720-201810,按93.5%计)、绿原酸(批号:110753-202119,按96.3%计)、薯蓣皂苷(批号:111707-201703,按96.1%计)、原儿茶酸(批号:110809-201906,按97.7%计)、原儿茶醛(批号:110810-201909,按99.6%计)、虎杖苷(批号:111575-201603,按100%计)、夏佛塔苷(批号:111912-202204,按94.9%计)、芦丁(批号:100080-202012,按92.2%计)、丹皮酚(批号:110708-201908,按99.8%计)、甘草酸铵(批号:110731-202122,按94.4%计)、枸橼酸(批号:111679-201602,按97%计,中国食品药品检定研究院);标准物质:莽草酸(批号:AL210416-11,纯度99.05%,Stanford Chemicals),烟酰胺(批号:F0059076,纯度99.9%,BePure);痛风立安胶囊(12粒×3板,批号:20200615,广西国际壮医医院);乙腈、甲酸为色谱纯,水为超纯水,其他试剂为分析纯。
2 方法
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2.1 溶液的制备
2.1.1 对照品储备液
分别称取对照品芦荟大黄素、毛蕊花糖苷、没食子酸、木犀草苷、绿原酸、薯蓣皂苷、原儿茶酸、原儿茶醛、虎杖苷、夏佛塔苷、芦丁、丹皮酚、甘草酸铵、枸橼酸、莽草酸、烟酰胺各约10 mg,精密称定,分别置于100 mL量瓶中,加甲醇稀释制成约0.1 mg·mL-1的对照品储备液。
2.1.2 混合对照品溶液
分别精密吸取“2.1.1”项下各对照品储备液1 mL置于同一个100 mL量瓶中,使用甲醇稀释,最终制成含各对照品质量浓度约1 μg·mL-1的混合对照品溶液。
2.1.3 供试品溶液
取装量项下的痛风立安胶囊样品,用研钵将样品研细,精密称取样品粉末1.0 g,加入体积分数50%甲醇50 mL,超声处理(功率200 W,频率50 kHz)30 min,摇匀过滤,取续滤液经过0.22 μm针孔滤膜过滤,即得。
2.2 色谱及质谱条件
色谱条件:Thermo Gold C18色谱柱(2.1 mm×100 mm,1.9 μm);以乙腈(含体积分数0.1%甲酸)为流动相A,体积分数0.1%甲酸水溶液为流动相B,梯度程序:0~2.0 min,5%A;2.0~42.0 min,5%~95%A;42.0~47.0 min,95%A;47.0~50 min,95%~5%A;柱流速为0.3 mL·mL-1;进样体积3 μL;柱温35 ℃。
质谱条件:离子源采用Heated ESI 源,正、负离子同时采集,喷雾电压:+3.5 kV、3.2 kV,离子传输管温度:320 ℃,鞘气流速:35 μL·min-1,辅助气温度:300 ℃,辅助气体流速:10 μL·min-1,数据采集模式:Full MS/dd-MS2扫描模式:一级全扫描质谱选择分辨率70 000 FWHM,二级质谱选择17 500 FWHM,m/z扫描范围为100~1 600,顶点激发时间6~8 s,动态排除6 s,特定离子扫描模式为off。
2.3 数据处理与结构分析
将“2.1”项下溶液进样后,首先通过Xcalibar软件根据高分辨一级谱图数据提供的精确相对分子质量进行初步推测并判断其加荷方式,再利用Tracefinder软件在mzCloud和mzVault数据库中进行二级谱图匹配,对于匹配分数≥70的成分,其中一部分化合物通过进行对照品的对比准确鉴定,另一部分使用Compound Discoverver软件并结合文献报道[11-12]、Chemical Book、Mass Bank等数据库提供的信息,进一步通过碎片信息及裂解规律进行结构鉴定。
3 结果与分析
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痛风立安胶囊供试品使用静电场轨道阱高分辨质谱技术采集到的总离子流图见图1。根据“2.3”项下的数据处理方法得到的分析结果,共鉴定出49个化合物,包括苯丙素类19个,萜类11个,有机酸类10个, 酚类3个,蒽醌类2个,生物碱及维生素类2个,糖及糖醇类2个,除去已有文献报道的化合物异嗪皮啶、芦荟大黄素、大黄素-8-O-β-D-吡喃葡萄糖苷外,其中有46个化合物为从痛风立安胶囊中首次鉴定得到,有16个化合物经过与对照品比对而准确鉴定,并系统归纳分析了各化合物在组方药物中的归属情况,结果见表1。
3.1 苯丙素类化合物的鉴定
痛风立安胶囊中包含了众多不同结构类型的苯丙素类化合物,这是一类以C6-C3为基本母核的化合物,在植物体内多形成独立的化合物。本研究从痛风立安胶囊中鉴定出19个苯丙素类化合物,其中苯乙醇苷类成分5个、香豆素类成分5个、黄酮类成分9个。苯乙醇苷类化合物归属均来源于处方中的车前草,分别为异连翘酯苷A、毛蕊花糖苷、异毛蕊花糖苷、木通苯乙醇苷B、大车前苷,其中异连翘酯苷A、毛蕊花糖苷、异毛蕊花糖苷为同分异构体。苯乙醇苷类化合物在质谱中的断裂从糖苷键开始,然后发生H2O和CH3等中性分子的丢失[11],如异连翘酯苷A、毛蕊花糖苷、异毛蕊花糖苷、大车前苷的准分子离子由A位断裂产生咖啡酸离子m/z 179进而脱去1分子H2O生成二级离子碎片中的m/z 161.023 8,另外准分子离子依次脱去咖啡酰基、鼠李糖残基,再继续丢失1分子葡萄糖并脱水后得到m/z 133.029 2。
香豆素类化合物分别为异嗪皮啶、白蜡树精、异莨菪亭或6,7-二羟基-4-甲基香豆素、7-羟基-4-甲基香豆素、7-羟基香豆素,均为简单香豆素及其与葡萄糖、鼠李糖连接形成的糖苷类化合物。其中化合物异嗪皮啶和白蜡树精为异嗪皮啶不同取代基位置差异的异构体,离子模式加合峰及二级碎片均相同。其准分子离子m/z 223.060 0[M+H]+通过丢失中性分子CH3及 H2O产生m/z 208.036 4[M+H-CH3]+、m/z 190.025 9[M+H-CH3-H2O]+,后继续裂解连续丢失CO产生m/z 163、135和107的二级碎片离子,以白蜡树精为例,其二级质谱图及可能的裂解途径见图2。
黄酮类化合物在质谱条件下的断裂方式主要通过CO、CO2、C2H2O、H2O等中性分子的丢失及RDA裂解以及羰基的断裂[13]。本研究鉴定出的黄酮类化合物分别为维采宁Ⅱ、夏佛塔苷、丁香树脂醇双葡萄糖苷、异牡荆素、芦丁、木犀草苷、芹菜素-7-O-葡萄糖醛酸苷、染料木素、虎杖苷。
以异牡荆素为例,该化合物在供试品中的保留时间为8.87 min,一级质谱得到m/z 433.112 8 [M+H]+的分子离子峰,经过Xcalibar软件拟合后推测其分子式为C21H20O10可能性最大,该化合物二级离子碎片信息主要有m/z 379.081 5、361.070 4、349.070 8、337.070 8、323.092 0、313.070 7、283.060 8,通过其断裂方式和经过Compound Discoverver软件匹配其二级质谱图后最终鉴定该化合物为异牡荆素,其二级质谱图及可能的质谱裂解途径见图3。
3.2 萜类化合物的鉴定
本研究共鉴定出11个萜类化合物,主要由单萜类、三萜及其皂苷类化合物组成,三萜类化合物有常春藤苷C、α-常春藤苷、白头翁皂苷A、甘草酸铵、薯蓣皂苷、伪原薯蓣皂苷,单萜类化合物均为环烯醚萜苷,主要来源于处方中的忍冬藤,包括有京尼平苷酸、獐牙菜苷、丹皮酚原苷、马钱子苷、断氧化马钱苷,环烯醚萜苷在质谱裂解时多由母环上的取代基断裂开始,如丢失H2O、CO2、CH2OH、CH3COOH和糖单元部分等。
以獐牙菜苷为例,该化合物在供试品中的保留时间为6.28 min,一级质谱得到m/z 359.133 6 [M+H]+的分子离子峰,经过Xcalibar软件拟合后推测其分子式为C16H22O9可能性最大,该化合物二级离子碎片信息主要有m/z 197.081 0、179.070 5、151.039 3、127.039 3、109.065 3,通过其断裂方式和经过Compound Discoverver软件匹配其二级质谱图后最终鉴定该化合物为獐牙菜苷,其二级质谱图及可能的质谱裂解途径见图4。
3.3 有机酸类化合物的鉴定
除了苯丙素类及萜类成分外,痛风立安胶囊中还包含10个有机酸类成分,分别为右旋奎宁酸、莽草酸、枸橼酸、没食子酸、隐绿原酸、绿原酸、原儿茶酸、原儿茶醛、对羟基苯甲酸、异绿原酸A或B或C(以下简称A/B/C),多来源于处方中的肿节风和忍冬藤,这些化合物多数为苯环或长链烷烃连接羟基或羧基而成,一般在负离子模式下响应较好[14]。在负离子模式下,大多以[M-H]-准分子离子峰的形式存在,高能碰撞下易丢失CO2或H2O等中性离子,痛风立安胶囊中有很多奎宁酸与咖啡酰基、阿魏酰基和苯丙酰基结合而成的异构体,如隐绿原酸、绿原酸、异绿原酸A/B/C,通过研究此类化合物的裂解途径发现异绿原酸A/B/C相比隐绿原酸、绿原酸具有更高丰度的m/z 173碎片,而隐绿原酸、异绿原酸A/B/C相比绿原酸有更高丰度的m/z 179碎片,这与文献[15-16]报道一致,以异绿原酸B为例,此化合物二级质谱图及可能的裂解途径见图5。
3.4 其他类化合物
此外,本研究还从痛风立安胶囊中鉴定出了蒽醌类化合物大黄素-8-O-β-D-吡喃葡萄糖苷、芦荟大黄素;酚类化合物羟基酪醇、丹皮酚、白藜芦醇;生物碱类化合物木兰花碱、维生素类化合物烟酰胺、糖及糖醇类蔗糖、甘露醇等成分。
4 讨论与小结
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本研究重点考察了甲醇-甲酸水、乙腈-甲酸水、乙腈(含甲酸)-甲酸水作为流动相时,各色谱峰的分离效果。结果显示,当使用甲醇-甲酸水时,部分色谱峰峰形较差,分离度较低且有拖尾现象,同时质谱的响应也偏低;当有机相改为乙腈时,各色谱峰分离度有明显改善,峰形较好;当在有机相加入体积分数0.1%的甲酸时,各目标物在质谱的响应更好。因此,本研究最终选择乙腈(含0.1%甲酸)-0.1%甲酸水作为流动相进行梯度洗脱。
本研究考察了超声和加热回流提取30 min两种提取方式,结果发现两种方式提取进行分析的物质基本相同,考虑到加热回流对热不稳定的物质可能会在提取中降解且超声更便利,故选取超声进行提取。另外还对提取的溶剂考察了乙酸乙酯、体积分数50%甲醇、甲醇,结果乙酸乙酯提取得到的化学物质最少,可能是由于处方的药物化学成分多为亲水性的物质,甲醇提取到的化学物质多为苯丙素类,在多样性上不如50%甲醇,故最终选取了50%甲醇作为提取溶剂。
本研究采用的基于Orbitrap HRMS技术在高分辨率[最高为140 000半峰全宽(FWHM)]及高质量精度上有强大优势,使得离子的质量数可达到5位,这对于准确、快速地在数据处理时拟合出组分的化学式具有不可替代的作用。
本研究从痛风立安胶囊中共鉴定出49个化合物,在复方制剂中各味药材均有涉及,丰富了痛风立安胶囊的化学物质组成信息,通过对复方制剂中处方进行归属分析,发现来源于肿节风的有14种,来源于忍冬藤的有19种,来源于粉萆薢的有12种,来源于透骨草有16种,来源于徐长卿的有5种,来源于虎杖有12种,来源于车前草的有16种,来源于甘草的有5种。以上不同类型、不同植物来源的药物活性成分通过互补、协同等作用,从而实现了痛风立安胶囊在壮医药中发挥清热毒、除湿毒、祛风毒、调水道等治疗作用。
研究结果表明,建立的Orbitrap HRMS的化学成分研究方法可系统、全面、快速地对该制剂的主要活性成分进行定性。本研究首次从整体层面上对痛风立安胶囊中的有效化学成分进行了深入的探索,为明确该制剂的药效物质基础、指导临床用药和阐明药理学机制奠定了科学数据基础。
基金
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  • 黄瑞松全国名老中医药专家传承工作室科研项目
  • 广西中医药大学校级科研项目(2023MS040)
  • 广西国际壮医医院引进人才科研启动项目(GZ2023RC007)
  • 国家中医药管理局高水平中医药重点学科建设项目(zyyzdxk-2023165)
  • 广西壮族自治区中医药管理局中药壮瑶药医院制剂质量提升项目(GZZJ202014)
文献
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参考文献 引证文献
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2024年第59卷第14期
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doi: 10.11669/cpj.2024.14.010
  • 接收时间：2024-01-16
  • 首发时间：2026-01-14
  • 出版时间：2024-07-22
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  • 收稿日期：2024-01-16
基金
黄瑞松全国名老中医药专家传承工作室科研项目
广西中医药大学校级科研项目(2023MS040)
广西国际壮医医院引进人才科研启动项目(GZ2023RC007)
国家中医药管理局高水平中医药重点学科建设项目(zyyzdxk-2023165)
广西壮族自治区中医药管理局中药壮瑶药医院制剂质量提升项目(GZZJ202014)
作者信息
    1 广西壮族自治区食品药品审评查验中心, 南宁 530022
    2 广西国际壮医医院, 南宁 530200
    3 广西-东盟食品检验检测中心, 南宁 530022

通讯作者:

* 陈松,男,硕士,副主任药师 研究方向:药品工艺及制剂生产 Tel:(0771)3376676
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2种不同金属材料的力学参数
科
Family		 属数
Number of
genus		 种数
Number of
species		 占总种数比例
Percentage of
total species (%)		 属
Genus		 种数
Number of
species		 占总种数比例
Percentage of total
species (%)
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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