Article(id=1217529313864368898, tenantId=1146029695717560320, journalId=1149652044408987649, issueId=1217529305693864468, articleNumber=null, orderNo=null, doi=10.19812/j.cnki.jfsq11-5956/ts.20250310001, pmid=null, cstr=null, oa=null, hot=null, price=null, onlineType=0, articleFormat=0, articleType=null, articleTypeStr=research-article, receivedDate=1741536000000, receivedDateStr=2025-03-10, revisedDate=null, revisedDateStr=null, acceptedDate=null, acceptedDateStr=null, onlineDate=1768211209026, onlineDateStr=2026-01-12, pubDate=1752508800000, pubDateStr=2025-07-15, doiRegisterDate=null, doiRegisterDateStr=null, onlineIssueDate=1768211209026, onlineIssueDateStr=2026-01-12, onlineJustAcceptDate=null, onlineJustAcceptDateStr=null, onlineFirstDate=null, onlineFirstDateStr=null, sourceXml=null, magXml=null, createTime=1768211209026, creator=13701087609, updateTime=1768211209026, updator=13701087609, issue=Issue{id=1217529305693864468, tenantId=1146029695717560320, journalId=1149652044408987649, year='2025', volume='16', issue='13', pageStart='1', pageEnd='320', issueExtLink='null', onlineDate='null', pubDate='null', beforeIssueId=null, nextIssueId=null, price=null, status=1, issueComplete=1, articleOrder=1, issueType=-1, specialIssue=null, createTime=1768211207077, creator=13701087609, updateTime=1768212057891, updator=13701087609, preIssue=null, nextIssue=null, ext={EN=IssueExt(id=1217532874337730593, tenantId=1146029695717560320, journalId=1149652044408987649, issueId=1217529305693864468, language=EN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=), CN=IssueExt(id=1217532874337730594, tenantId=1146029695717560320, journalId=1149652044408987649, issueId=1217529305693864468, language=CN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=)}, issueFiles=null}, startPage=162, endPage=169, ext={EN=ArticleExt(id=1217529314837447502, articleId=1217529313864368898, tenantId=1146029695717560320, journalId=1149652044408987649, language=EN, title=Rapid identification of the chemical components in Wogam peel by ultra performance liquid chromatography-tandem quadrupole electrostatic field orbital trap mass spectrometry, columnId=1217529307778438039, journalTitle=Journal of Food Safety & Quality, columnName=Highlight: Application of Modern Analysis Instrument in Food Detection, runingTitle=null, highlight=null, articleAbstract=
Objective To rapidly identify the chemical components in the peel of Wogam by ultra performance liquid chromatography-tandem quadrupole electrostatic field orbital trap mass spectrometry (UPLC-QE-MS) in combination with various data analysis methods. Methods The samples were separated by Thermo Scientific Hypersil GOLD AQ (2.1 mm×100 mm, 1.9 μm) chromatographic column using solution A (0.1% formic acid-acetonitrile) and solution B (0.1% formic acid-water) as the mobile phase in a gradient elution mode. In the positive and negative ion mode, the electrical spray ion source was used to collect the signals of various chemical components in the peel of Wogam by means of one-step full scanning and two-stage ion scanning. Based on the high-resolution mass spectrometry data of traditional Chinese medicine components in the Trace Finder software and the screening network database of Compound Discoverer 3.2 software, the identification of chemical components were carried out by comparing the recognition of primary ions, major secondary ions, and other factors of the sample, as well as combining the possible cleavage pathways of the compound and consulting relevant literature reports. Through comprehensive analysis and judgment, the components were determined. Results Through literature review and comparison with high-resolution mass spectrometry data and databases, as well as compound analysis, a total of 52 compounds belonging to 11 categories were identified from the peel of Wogam, including 1 aldehyde, 5 organic acids, 2 alkaloids, 5 terpenes, 1 ketone, 7 phenylpropanoids, 2 coumarins, 1 nucleoside, 26 flavonoids, 1 anthraquinone, and 1 lignan. Conclusion The application of UPLC-QE-MS technology, combined with relevant databases and literature, enables the analysis of the chemical components of the peel of Wogam, providing a basis for the industrial development of Wogam peel.
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目的 采用超高效液相色谱-串联四极杆静电场轨道阱质谱法(ultra performance liquid chromatography-tandem quadrupole electrostatic field orbital trap mass spectrometry, UPLC-QE-MS)结合多种数据解析方式对沃柑果皮化学成分进行快速鉴定。方法 样品采用Thermo Scientific Hypersil GOLD AQ (2.1 mm×100 mm, 1.9 μm)色谱柱分离, 在流动相A (0.1%甲酸-乙腈)和流动相B (0.1%甲酸-水)中进行梯度洗脱; 以电喷雾离子源在正负离子模式下, 通过一级全扫描和二级离子扫描的方式采集沃柑果皮各化学成分信号。根据仪器软件Trace Finder中的中药成分高分辨质谱数据及Compound Discoverer3.2软件筛查网络数据库与样品的一级离子、主要二级离子等相识度对比、并结合化合物可能裂解途径及查阅相关文献报道等多种方式对化学成分进行鉴定, 综合分析判断, 确定成分。结果 通过查阅文献及高分辨质谱数据与数据库比较, 化合物解析等方式从沃柑果皮中鉴定出11类共52个化合物, 其中: 醛类1个, 有机酸类5个, 生物碱类2个, 萜类5个, 酮类1个, 苯丙素类7个, 香豆素类2个, 核苷类1个, 黄酮类26个, 蒽醌类1个, 木脂素类1个。结论 应用UPLC-QE-MS技术, 结合相关数据库以及文献可实现沃柑果皮化学成分分析, 为沃柑果皮产业化发展提供基础研究。
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邓瑜(1985—), 男, 工程师, 主要研究方向为食品检验研究。E-mail: 340423821@qq.com
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Total ion chromatogram of Wogam peel, figureFileSmall=wi8rIpFtJb5Nhqo4WezfAg==, figureFileBig=NrMnup31VuDdIJ2gdTEdWw==, tableContent=null), ArticleFig(id=1217901257050739443, tenantId=1146029695717560320, journalId=1149652044408987649, articleId=1217529313864368898, language=CN, label=图1, caption=
沃柑果皮的总离子流图 注: A. 正离子; B. 负离子。
, figureFileSmall=wi8rIpFtJb5Nhqo4WezfAg==, figureFileBig=NrMnup31VuDdIJ2gdTEdWw==, tableContent=null), ArticleFig(id=1217901258539717376, tenantId=1146029695717560320, journalId=1149652044408987649, articleId=1217529313864368898, language=EN, label=Fig.2, caption=
Secondary mass spectrum of hesperetin, figureFileSmall=hsr9kK+yy7rp/MzRSGtv4Q==, figureFileBig=7g3zvbiOvubnItpZTqPhuw==, tableContent=null), ArticleFig(id=1217901258694906628, tenantId=1146029695717560320, journalId=1149652044408987649, articleId=1217529313864368898, language=CN, label=图2, caption=
橙皮素的二级质谱图, figureFileSmall=hsr9kK+yy7rp/MzRSGtv4Q==, figureFileBig=7g3zvbiOvubnItpZTqPhuw==, tableContent=null), ArticleFig(id=1217901258808152844, tenantId=1146029695717560320, journalId=1149652044408987649, articleId=1217529313864368898, language=EN, label=Fig.3, caption=
Cleavage pathway of hesperetin, figureFileSmall=p7/R+VaQGZK1FWg5QBHNnQ==, figureFileBig=vKvPbVJ15UenTiPK6EAzMg==, tableContent=null), ArticleFig(id=1217901258933981974, tenantId=1146029695717560320, journalId=1149652044408987649, articleId=1217529313864368898, language=CN, label=图3, caption=
橙皮素的裂解途径, figureFileSmall=p7/R+VaQGZK1FWg5QBHNnQ==, figureFileBig=vKvPbVJ15UenTiPK6EAzMg==, tableContent=null), ArticleFig(id=1217901259068199717, tenantId=1146029695717560320, journalId=1149652044408987649, articleId=1217529313864368898, language=EN, label=Fig.4, caption=
Secondary mass spectrum of eleutheroside B, figureFileSmall=zslq2LJ/6VZnf+zgMFrdLw==, figureFileBig=4FoCe2T+rut0L0Unk81Egg==, tableContent=null), ArticleFig(id=1217901259185640244, tenantId=1146029695717560320, journalId=1149652044408987649, articleId=1217529313864368898, language=CN, label=图4, caption=
刺五加苷B的二级质谱图, figureFileSmall=zslq2LJ/6VZnf+zgMFrdLw==, figureFileBig=4FoCe2T+rut0L0Unk81Egg==, tableContent=null), ArticleFig(id=1217901259298886460, tenantId=1146029695717560320, journalId=1149652044408987649, articleId=1217529313864368898, language=EN, label=Fig.5, caption=
Cleavage pathway of eleutheroside B, figureFileSmall=ClmoDoidYr+QJfnWX1AmFw==, figureFileBig=ObhyRvuic0aNICEmXWjzlg==, tableContent=null), ArticleFig(id=1217901259416326983, tenantId=1146029695717560320, journalId=1149652044408987649, articleId=1217529313864368898, language=CN, label=图5, caption=
刺五加苷B的裂解途径, figureFileSmall=ClmoDoidYr+QJfnWX1AmFw==, figureFileBig=ObhyRvuic0aNICEmXWjzlg==, tableContent=null), ArticleFig(id=1217901259542156109, tenantId=1146029695717560320, journalId=1149652044408987649, articleId=1217529313864368898, language=EN, label=Fig.6, caption=
Secondary mass spectrum of sinapic acid, figureFileSmall=yOfipAZg8kjdRI8PAFSpmQ==, figureFileBig=xfyCJJCi/k+jiAtQpdqOJg==, tableContent=null), ArticleFig(id=1217901259705733976, tenantId=1146029695717560320, journalId=1149652044408987649, articleId=1217529313864368898, language=CN, label=图6, caption=
芥子酸的二级质谱图, figureFileSmall=yOfipAZg8kjdRI8PAFSpmQ==, figureFileBig=xfyCJJCi/k+jiAtQpdqOJg==, tableContent=null), ArticleFig(id=1217901259831563101, tenantId=1146029695717560320, journalId=1149652044408987649, articleId=1217529313864368898, language=EN, label=Fig.7, caption=
Cleavage pathway of sinapic acid, figureFileSmall=cD35oSCel+bxmxduxKNm3A==, figureFileBig=KI5J/CoXKPVjIs75rnxdWg==, tableContent=null), ArticleFig(id=1217901259957392226, tenantId=1146029695717560320, journalId=1149652044408987649, articleId=1217529313864368898, language=CN, label=图7, caption=
芥子酸的裂解途径, figureFileSmall=cD35oSCel+bxmxduxKNm3A==, figureFileBig=KI5J/CoXKPVjIs75rnxdWg==, tableContent=null), ArticleFig(id=1217901260095804268, tenantId=1146029695717560320, journalId=1149652044408987649, articleId=1217529313864368898, language=EN, label=Fig 8, caption=
Secondary mass spectrum of perillene, figureFileSmall=BDKeKSTYnyObLWMmvMz3+g==, figureFileBig=tVGs8SUSy8pz0W/LSSZIaQ==, tableContent=null), ArticleFig(id=1217901260213244785, tenantId=1146029695717560320, journalId=1149652044408987649, articleId=1217529313864368898, language=CN, label=图8, caption=
紫苏烯的二级质谱图, figureFileSmall=BDKeKSTYnyObLWMmvMz3+g==, figureFileBig=tVGs8SUSy8pz0W/LSSZIaQ==, tableContent=null), ArticleFig(id=1217901260364239739, tenantId=1146029695717560320, journalId=1149652044408987649, articleId=1217529313864368898, language=EN, label=Fig.9, caption=
Cleavage pathway of perillene, figureFileSmall=ZvC3mt/srbG7W3dA8i9lCg==, figureFileBig=fcfNodg8eSjnbda5oVBo5w==, tableContent=null), ArticleFig(id=1217901260527817607, tenantId=1146029695717560320, journalId=1149652044408987649, articleId=1217529313864368898, language=CN, label=图9, caption=
紫苏烯的裂解途径, figureFileSmall=ZvC3mt/srbG7W3dA8i9lCg==, figureFileBig=fcfNodg8eSjnbda5oVBo5w==, tableContent=null), ArticleFig(id=1217901260678812559, tenantId=1146029695717560320, journalId=1149652044408987649, articleId=1217529313864368898, language=EN, label=Table 1, caption=
Gradient elution conditions
, figureFileSmall=null, figureFileBig=null, tableContent=
| 时间/min | 流速/(mL/min) | A/% | B/% |
| 0.0 | 0.4 | 5 | 95 |
| 2.0 | 0.4 | 5 | 95 |
| 42.0 | 0.4 | 95 | 5 |
| 46.9 | 0.4 | 95 | 5 |
| 47.0 | 0.4 | 5 | 95 |
| 50.0 | 0.4 | 5 | 95 |
), ArticleFig(id=1217901260817224598, tenantId=1146029695717560320, journalId=1149652044408987649, articleId=1217529313864368898, language=CN, label=表1, caption=
梯度条件
, figureFileSmall=null, figureFileBig=null, tableContent=
| 时间/min | 流速/(mL/min) | A/% | B/% |
| 0.0 | 0.4 | 5 | 95 |
| 2.0 | 0.4 | 5 | 95 |
| 42.0 | 0.4 | 95 | 5 |
| 46.9 | 0.4 | 95 | 5 |
| 47.0 | 0.4 | 5 | 95 |
| 50.0 | 0.4 | 5 | 95 |
), ArticleFig(id=1217901260947248028, tenantId=1146029695717560320, journalId=1149652044408987649, articleId=1217529313864368898, language=EN, label=Table 2, caption=
Identification results of Wogam peel based on UPLC-QE-MS technique
, figureFileSmall=null, figureFileBig=null, tableContent=
| 序号 | 保留时间/min | 分子式 | 理论值
(m/z) | 实测值
(m/z) | 质荷比偏差
/ppm | 二级离子 | 模式 | 化合物名称 | 化合物类型 |
| 1 | 0.75 | C6H6O3 | 127.03897 | 127.03893 | -0.3 | 81.03387 | 109.02849 | M+H | 5-羟甲基糠醛 | 醛类 |
| 2 | 0.81 | C6H13NO2 | 132.10191 | 132.10178 | -1.0 | 69.07038 | 86.09673 | M+H | L-亮氨酸 | 有机酸类 |
| 3 | 0.75 | C7H13NO2 | 144.10191 | 144.10188 | -0.2 | 102.05511 | 84.08109 | M+H | 水苏碱 | 生物碱类 |
| 4 | 10.13 | C10H14O | 151.11174 | 151.11154 | -1.3 | 105.06999 | 133.10106 | M+H | 紫苏烯 | 萜类 |
| 5 | 7.40 | C10H10O2 | 163.07536 | 163.07527 | -0.6 | 107.04945 | 135.08008 | M+H | 5-羟基-1-四氢萘酮 | 酮类 |
| 6 | 3.60 | C9H8O3 | 165.05462 | 165.05461 | -0.1 | 91.05455 | 119.04921 | M+H | 对香豆酸 | 苯丙素类 |
| 7 | 1.08 | C9H11NO2 | 166.08626 | 166.08618 | -0.5 | 120.08076 | 149.05962 | M+H | L-苯丙氨酸 | 有机酸类 |
| 8 | 0.75 | C9H13NO2 | 168.10191 | 168.10176 | -0.9 | 150.09113 | 91.05445 | M+H | 辛弗林 | 生物碱类 |
| 9 | 8.00 | C10H8O3 | 177.05462 | 177.05447 | -0.8 | 121.06467 | 149.05957 | M+H | 7-甲氧基香豆素 | 香豆素类 |
| 10 | 17.43 | C10H10O3 | 179.07027 | 179.07011 | -0.9 | 161.05962 | 147.04393 | M+H | 阿魏醛 | 苯丙素类 |
| 11 | 4.96 | C10H10O4 | 195.06519 | 195.06503 | -0.8 | 145.02831 | 117.03355 | M+H | 阿魏酸 | 苯丙素类 |
| 12 | 4.96 | C10H10O4 | 195.06519 | 195.06503 | -0.8 | 117.03355 | 163.03879 | M+H | 异阿魏酸 | 苯丙素类 |
| 13 | 2.02 | C11H12N2O2 | 205.09715 | 205.09708 | -0.3 | 118.06517 | 146.05986 | M+H | L-色氨酸 | 有机酸类 |
| 14 | 8.93 | C12H14O3 | 207.10157 | 207.10123 | -1.6 | 161.05962 | 133.06473 | M+H | 对甲氧基肉桂酸乙酯 | 苯丙素类 |
| 15 | 19.94 | C15H22O | 219.17434 | 219.17407 | -1.2 | 163.11147 | 81.07026 | M+H | 诺卡酮 | 萜类 |
| 16 | 10.83 | C12H14O4 | 223.09649 | 223.09621 | -1.3 | 145.02855 | 177.05434 | M+H | 阿魏酸乙酯 | 苯丙素类 |
| 17 | 5.77 | C11H12O5 | 225.07575 | 225.07486 | -4.0 | 175.03869 | 119.04912 | M+H | 芥子酸 | 有机酸类 |
| 18 | 9.31 | C15H22O2 | 235.16926 | 235.16875 | -2.2 | 189.16348 | 199.14760 | M+H | 莪术烯醇 | 萜类 |
| 19 | 7.46 | C15H18O3 | 247.13287 | 247.13243 | -1.8 | 187.11136 | 131.08539 | M+H | 阿格拉宾 | 萜类 |
| 20 | 0.83 | C10H13N5O4 | 268.10403 | 268.10342 | -2.3 | 136.06155 | 85.02856 | M+H | 腺苷 | 核苷类 |
| 21 | 22.00 | C18H30O2 | 279.23186 | 279.23117 | -2.5 | 95.08569 | 67.05477 | M+H | α-亚麻酸 | 有机酸类 |
| 22 | 11.78 | C16H14O5 | 287.09140 | 287.09079 | -2.1 | 161.05946 | 153.01801 | M+H | 异樱花素 | 黄酮类 |
| 23 | 8.00 | C15H10O7 | 303.04993 | 303.04922 | -2.3 | 153.01797 | 165.01825 | M+H | 槲皮素 | 黄酮类 |
| 24 | 9.85 | C16H14O6 | 303.08631 | 303.08545 | -2.8 | 219.06479 | 177.05440 | M+H | 橙皮素 | 黄酮类 |
| 25 | 2.55 | C15H16O8 | 325.09179 | 325.09128 | -1.6 | 163.03883 | 107.04933 | M+H | 茵芋苷 | 香豆素类 |
| 26 | 14.40 | C17H14O7 | 329.06668 | 329.06482 | -5.7 | 271.02319 | 199.03812 | M-H | 棕矢车菊素 | 黄酮类 |
| 14.38 | C17H14O7 | 331.08123 | 331.08038 | -2.6 | 288.06146 | 168.00499 | M+H |
| 27 | 16.64 | C18H16O7 | 343.08233 | 343.08118 | -3.4 | 313.03436 | 298.01077 | M-H | 异泽兰黄素 | 黄酮类 |
| 16.63 | C18H16O7 | 345.09688 | 345.09637 | -1.5 | 330.07245 | 169.01282 | M+H |
| 28 | 17.35 | C19H18O6 | 343.11761 | 343.11697 | -1.9 | 313.06964 | 285.07489 | M+H | 6-去甲氧基桔皮素 | 黄酮类 |
| 29 | 3.29 | C16H22O8 | 360.16529 | 360.16483 | -1.3 | 163.07523 | 131.04915 | M+NH4 | 松柏苷 | 黄酮类 |
| 30 | 16.26 | C20H20O7 | 373.12818 | 373.12741 | -2.1 | 343.08017 | 315.08530 | M+H | 异橙黄酮 | 黄酮类 |
| 31 | 16.26 | C20H20O7 | 373.12818 | 373.12741 | -2.1 | 343.08017 | 151.03885 | M+H | 甜橙黄酮 | 黄酮类 |
| 32 | 18.52 | C19H18O8 | 375.10744 | 375.10651 | -2.5 | 271.05865 | 317.06415 | M+H | 金腰乙素 | 黄酮类 |
| 33 | 18.81 | C20H20O8 | 389.12309 | 389.12238 | -1.8 | 285.07431 | 359.07483 | M+H | 去甲基川陈皮素 | 黄酮类 |
| 34 | 5.04 | C17H24O9 | 390.17586 | 390.17514 | -1.8 | 193.08565 | 161.05950 | M+NH4 | 刺五加苷B | 苯丙素类 |
| 35 | 16.95 | C21H22O8 | 403.13874 | 403.13806 | -1.7 | 373.09061 | 357.05878 | M+H | 川陈皮素 | 黄酮类 |
| 36 | 9.18 | C21H20O10 | 433.11292 | 433.11206 | -2.0 | 313.06970 | 283.05942 | M+H | 异牡荆素 | 黄酮类 |
| 37 | 9.18 | C21H20O10 | 433.11292 | 433.11206 | -2.0 | 165.01750 | 313.06970 | M+H | 牡荆素 | 黄酮类 |
| 38 | 8.29 | C21H20O11 | 447.09328 | 447.09219 | -2.4 | 357.06076 | 327.05008 | M-H | 异荭草素 | 黄酮类 |
| 8.31 | C21H20O11 | 449.10784 | 449.1069 | -2.1 | 329.06442 | 299.05396 | M+H |
| 39 | 8.29 | C21H20O11 | 447.09328 | 447.09219 | -2.4 | 213.05403 | 327.05008 | M-H | 荭草苷 | 黄酮类 |
| 8.31 | C21H20O11 | 449.10784 | 449.10690 | -2.1 | 329.06442 | 353.06439 | M+H |
| 40 | 9.44 | C22H22O11 | 461.10893 | 461.10770 | -2.7 | 283.02417 | 341.06494 | M-H | 高车前苷 | 黄酮类 |
| 41 | 7.21 | C26H30O8 | 471.20134 | 471.20035 | -2.1 | 161.05946 | 279.13715 | M+H | 柠檬苦素 | 萜类 |
| 42 | 9.78 | C23H24O12 | 491.11950 | 491.11847 | -2.1 | 476.09537 | 313.03452 | M-H | 橙黄决明素-6-O-葡萄糖苷 | 蒽醌类 |
| 9.79 | C23H24O12 | 493.13405 | 493.13281 | -2.5 | 331.08096 | 298.04678 | M+H |
| 43 | 8.39 | C26H32O11 | 538.22829 | 538.22754 | -1.4 | 175.07515 | 137.05956 | M+NH4 | 松脂醇-4-O-葡萄糖苷 | 木脂素类 |
| 44 | 9.10 | C27H32O14 | 579.17193 | 579.17035 | -2.7 | 459.11398 | 271.06036 | M-H | 柚皮苷 | 黄酮类 |
| 9.09 | C27H32O14 | 581.18648 | 581.18597 | -0.9 | 273.07486 | 195.02840 | M+H |
| 45 | 8.08 | C26H28O15 | 581.15010 | 581.14929 | -1.4 | 287.05307 | 329.06467 | M+H | 堪非醇-3-O-桑布双糖苷 | 黄酮类 |
| 46 | 11.79 | C28H34O14 | 593.18758 | 593.18555 | -3.4 | 327.08627 | 285.07547 | M-H | 香蜂草苷 | 黄酮类 |
| 11.78 | C28H34O14 | 595.20213 | 595.20166 | -0.8 | 287.09052 | 153.01801 | M+H |
| 47 | 7.19 | C27H30O15 | 593.15119 | 593.15009 | -1.9 | 383.07617 | 473.10675 | M-H | 维采宁II | 黄酮类 |
| 7.21 | C27H30O15 | 595.16575 | 595.16479 | -1.6 | 379.08060 | 457.11130 | M+H |
| 48 | 6.69 | C27H30O16 | 609.14611 | 609.14514 | -1.6 | 327.04941 | 429.08069 | M-H | 荭草素-2’’-O-β-L-半乳糖苷 | 黄酮类 |
| 6.70 | C27H30O16 | 611.16066 | 611.16010 | -0.9 | 329.06503 | 413.08401 | M+H |
| 49 | 9.86 | C28H34O15 | 609.18249 | 609.18182 | -1.1 | 301.07047 | 257.08099 | M-H | 橙皮苷 | 黄酮类 |
| 9.85 | C28H34O15 | 611.19705 | 611.19647 | -0.9 | 303.08536 | 245.04379 | M+H |
| 50 | 9.06 | C29H34O15 | 623.19705 | 623.19580 | -2.0 | 315.08533 | 300.06198 | M+H | 大蓟苷 | 黄酮类 |
| 51 | 10.94 | C29H36O15 | 625.21270 | 625.21216 | -0.9 | 245.04378 | 317.10098 | M+H | 甲基橙皮苷 | 黄酮类 |
| 52 | 8.08 | C33H40O19 | 741.22366 | 741.22278 | -1.2 | 271.05933 | 313.06967 | M+H | 芹菜素-7-O-(2G-鼠李糖)龙胆糖苷 | 黄酮类 |
), ArticleFig(id=1217901261094048679, tenantId=1146029695717560320, journalId=1149652044408987649, articleId=1217529313864368898, language=CN, label=表2, caption=
基于UPLC-QE-MS技术分析的沃柑果皮鉴定结果
, figureFileSmall=null, figureFileBig=null, tableContent=
| 序号 | 保留时间/min | 分子式 | 理论值
(m/z) | 实测值
(m/z) | 质荷比偏差
/ppm | 二级离子 | 模式 | 化合物名称 | 化合物类型 |
| 1 | 0.75 | C6H6O3 | 127.03897 | 127.03893 | -0.3 | 81.03387 | 109.02849 | M+H | 5-羟甲基糠醛 | 醛类 |
| 2 | 0.81 | C6H13NO2 | 132.10191 | 132.10178 | -1.0 | 69.07038 | 86.09673 | M+H | L-亮氨酸 | 有机酸类 |
| 3 | 0.75 | C7H13NO2 | 144.10191 | 144.10188 | -0.2 | 102.05511 | 84.08109 | M+H | 水苏碱 | 生物碱类 |
| 4 | 10.13 | C10H14O | 151.11174 | 151.11154 | -1.3 | 105.06999 | 133.10106 | M+H | 紫苏烯 | 萜类 |
| 5 | 7.40 | C10H10O2 | 163.07536 | 163.07527 | -0.6 | 107.04945 | 135.08008 | M+H | 5-羟基-1-四氢萘酮 | 酮类 |
| 6 | 3.60 | C9H8O3 | 165.05462 | 165.05461 | -0.1 | 91.05455 | 119.04921 | M+H | 对香豆酸 | 苯丙素类 |
| 7 | 1.08 | C9H11NO2 | 166.08626 | 166.08618 | -0.5 | 120.08076 | 149.05962 | M+H | L-苯丙氨酸 | 有机酸类 |
| 8 | 0.75 | C9H13NO2 | 168.10191 | 168.10176 | -0.9 | 150.09113 | 91.05445 | M+H | 辛弗林 | 生物碱类 |
| 9 | 8.00 | C10H8O3 | 177.05462 | 177.05447 | -0.8 | 121.06467 | 149.05957 | M+H | 7-甲氧基香豆素 | 香豆素类 |
| 10 | 17.43 | C10H10O3 | 179.07027 | 179.07011 | -0.9 | 161.05962 | 147.04393 | M+H | 阿魏醛 | 苯丙素类 |
| 11 | 4.96 | C10H10O4 | 195.06519 | 195.06503 | -0.8 | 145.02831 | 117.03355 | M+H | 阿魏酸 | 苯丙素类 |
| 12 | 4.96 | C10H10O4 | 195.06519 | 195.06503 | -0.8 | 117.03355 | 163.03879 | M+H | 异阿魏酸 | 苯丙素类 |
| 13 | 2.02 | C11H12N2O2 | 205.09715 | 205.09708 | -0.3 | 118.06517 | 146.05986 | M+H | L-色氨酸 | 有机酸类 |
| 14 | 8.93 | C12H14O3 | 207.10157 | 207.10123 | -1.6 | 161.05962 | 133.06473 | M+H | 对甲氧基肉桂酸乙酯 | 苯丙素类 |
| 15 | 19.94 | C15H22O | 219.17434 | 219.17407 | -1.2 | 163.11147 | 81.07026 | M+H | 诺卡酮 | 萜类 |
| 16 | 10.83 | C12H14O4 | 223.09649 | 223.09621 | -1.3 | 145.02855 | 177.05434 | M+H | 阿魏酸乙酯 | 苯丙素类 |
| 17 | 5.77 | C11H12O5 | 225.07575 | 225.07486 | -4.0 | 175.03869 | 119.04912 | M+H | 芥子酸 | 有机酸类 |
| 18 | 9.31 | C15H22O2 | 235.16926 | 235.16875 | -2.2 | 189.16348 | 199.14760 | M+H | 莪术烯醇 | 萜类 |
| 19 | 7.46 | C15H18O3 | 247.13287 | 247.13243 | -1.8 | 187.11136 | 131.08539 | M+H | 阿格拉宾 | 萜类 |
| 20 | 0.83 | C10H13N5O4 | 268.10403 | 268.10342 | -2.3 | 136.06155 | 85.02856 | M+H | 腺苷 | 核苷类 |
| 21 | 22.00 | C18H30O2 | 279.23186 | 279.23117 | -2.5 | 95.08569 | 67.05477 | M+H | α-亚麻酸 | 有机酸类 |
| 22 | 11.78 | C16H14O5 | 287.09140 | 287.09079 | -2.1 | 161.05946 | 153.01801 | M+H | 异樱花素 | 黄酮类 |
| 23 | 8.00 | C15H10O7 | 303.04993 | 303.04922 | -2.3 | 153.01797 | 165.01825 | M+H | 槲皮素 | 黄酮类 |
| 24 | 9.85 | C16H14O6 | 303.08631 | 303.08545 | -2.8 | 219.06479 | 177.05440 | M+H | 橙皮素 | 黄酮类 |
| 25 | 2.55 | C15H16O8 | 325.09179 | 325.09128 | -1.6 | 163.03883 | 107.04933 | M+H | 茵芋苷 | 香豆素类 |
| 26 | 14.40 | C17H14O7 | 329.06668 | 329.06482 | -5.7 | 271.02319 | 199.03812 | M-H | 棕矢车菊素 | 黄酮类 |
| 14.38 | C17H14O7 | 331.08123 | 331.08038 | -2.6 | 288.06146 | 168.00499 | M+H |
| 27 | 16.64 | C18H16O7 | 343.08233 | 343.08118 | -3.4 | 313.03436 | 298.01077 | M-H | 异泽兰黄素 | 黄酮类 |
| 16.63 | C18H16O7 | 345.09688 | 345.09637 | -1.5 | 330.07245 | 169.01282 | M+H |
| 28 | 17.35 | C19H18O6 | 343.11761 | 343.11697 | -1.9 | 313.06964 | 285.07489 | M+H | 6-去甲氧基桔皮素 | 黄酮类 |
| 29 | 3.29 | C16H22O8 | 360.16529 | 360.16483 | -1.3 | 163.07523 | 131.04915 | M+NH4 | 松柏苷 | 黄酮类 |
| 30 | 16.26 | C20H20O7 | 373.12818 | 373.12741 | -2.1 | 343.08017 | 315.08530 | M+H | 异橙黄酮 | 黄酮类 |
| 31 | 16.26 | C20H20O7 | 373.12818 | 373.12741 | -2.1 | 343.08017 | 151.03885 | M+H | 甜橙黄酮 | 黄酮类 |
| 32 | 18.52 | C19H18O8 | 375.10744 | 375.10651 | -2.5 | 271.05865 | 317.06415 | M+H | 金腰乙素 | 黄酮类 |
| 33 | 18.81 | C20H20O8 | 389.12309 | 389.12238 | -1.8 | 285.07431 | 359.07483 | M+H | 去甲基川陈皮素 | 黄酮类 |
| 34 | 5.04 | C17H24O9 | 390.17586 | 390.17514 | -1.8 | 193.08565 | 161.05950 | M+NH4 | 刺五加苷B | 苯丙素类 |
| 35 | 16.95 | C21H22O8 | 403.13874 | 403.13806 | -1.7 | 373.09061 | 357.05878 | M+H | 川陈皮素 | 黄酮类 |
| 36 | 9.18 | C21H20O10 | 433.11292 | 433.11206 | -2.0 | 313.06970 | 283.05942 | M+H | 异牡荆素 | 黄酮类 |
| 37 | 9.18 | C21H20O10 | 433.11292 | 433.11206 | -2.0 | 165.01750 | 313.06970 | M+H | 牡荆素 | 黄酮类 |
| 38 | 8.29 | C21H20O11 | 447.09328 | 447.09219 | -2.4 | 357.06076 | 327.05008 | M-H | 异荭草素 | 黄酮类 |
| 8.31 | C21H20O11 | 449.10784 | 449.1069 | -2.1 | 329.06442 | 299.05396 | M+H |
| 39 | 8.29 | C21H20O11 | 447.09328 | 447.09219 | -2.4 | 213.05403 | 327.05008 | M-H | 荭草苷 | 黄酮类 |
| 8.31 | C21H20O11 | 449.10784 | 449.10690 | -2.1 | 329.06442 | 353.06439 | M+H |
| 40 | 9.44 | C22H22O11 | 461.10893 | 461.10770 | -2.7 | 283.02417 | 341.06494 | M-H | 高车前苷 | 黄酮类 |
| 41 | 7.21 | C26H30O8 | 471.20134 | 471.20035 | -2.1 | 161.05946 | 279.13715 | M+H | 柠檬苦素 | 萜类 |
| 42 | 9.78 | C23H24O12 | 491.11950 | 491.11847 | -2.1 | 476.09537 | 313.03452 | M-H | 橙黄决明素-6-O-葡萄糖苷 | 蒽醌类 |
| 9.79 | C23H24O12 | 493.13405 | 493.13281 | -2.5 | 331.08096 | 298.04678 | M+H |
| 43 | 8.39 | C26H32O11 | 538.22829 | 538.22754 | -1.4 | 175.07515 | 137.05956 | M+NH4 | 松脂醇-4-O-葡萄糖苷 | 木脂素类 |
| 44 | 9.10 | C27H32O14 | 579.17193 | 579.17035 | -2.7 | 459.11398 | 271.06036 | M-H | 柚皮苷 | 黄酮类 |
| 9.09 | C27H32O14 | 581.18648 | 581.18597 | -0.9 | 273.07486 | 195.02840 | M+H |
| 45 | 8.08 | C26H28O15 | 581.15010 | 581.14929 | -1.4 | 287.05307 | 329.06467 | M+H | 堪非醇-3-O-桑布双糖苷 | 黄酮类 |
| 46 | 11.79 | C28H34O14 | 593.18758 | 593.18555 | -3.4 | 327.08627 | 285.07547 | M-H | 香蜂草苷 | 黄酮类 |
| 11.78 | C28H34O14 | 595.20213 | 595.20166 | -0.8 | 287.09052 | 153.01801 | M+H |
| 47 | 7.19 | C27H30O15 | 593.15119 | 593.15009 | -1.9 | 383.07617 | 473.10675 | M-H | 维采宁II | 黄酮类 |
| 7.21 | C27H30O15 | 595.16575 | 595.16479 | -1.6 | 379.08060 | 457.11130 | M+H |
| 48 | 6.69 | C27H30O16 | 609.14611 | 609.14514 | -1.6 | 327.04941 | 429.08069 | M-H | 荭草素-2’’-O-β-L-半乳糖苷 | 黄酮类 |
| 6.70 | C27H30O16 | 611.16066 | 611.16010 | -0.9 | 329.06503 | 413.08401 | M+H |
| 49 | 9.86 | C28H34O15 | 609.18249 | 609.18182 | -1.1 | 301.07047 | 257.08099 | M-H | 橙皮苷 | 黄酮类 |
| 9.85 | C28H34O15 | 611.19705 | 611.19647 | -0.9 | 303.08536 | 245.04379 | M+H |
| 50 | 9.06 | C29H34O15 | 623.19705 | 623.19580 | -2.0 | 315.08533 | 300.06198 | M+H | 大蓟苷 | 黄酮类 |
| 51 | 10.94 | C29H36O15 | 625.21270 | 625.21216 | -0.9 | 245.04378 | 317.10098 | M+H | 甲基橙皮苷 | 黄酮类 |
| 52 | 8.08 | C33H40O19 | 741.22366 | 741.22278 | -1.2 | 271.05933 | 313.06967 | M+H | 芹菜素-7-O-(2G-鼠李糖)龙胆糖苷 | 黄酮类 |
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