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使用超高效液相色谱/四极杆飞行时间质谱联用UNIFI软件测定鹿茸的化学成分和磷脂。

Determination of the chemical components and phospholipids of velvet antler using UPLC/QTOF-MS coupled with UNIFI software.

作者信息

Zhang Li-Qun, Wang Jia, Li Ting, Li Ping-Ya, Wang Yun-Hua, Yang Miao, Liu Jin-Ping, Liu Ji-Hua

机构信息

Department of Obstetrics and Gynecology, The First Hospital of Jilin University, Changchun, Jilin 130021, P.R. China.

Department of Natural Medicinal Chemistry, School of Pharmaceutical Sciences, Jilin University, Changchun, Jilin 130021, P.R. China.

出版信息

Exp Ther Med. 2019 May;17(5):3789-3799. doi: 10.3892/etm.2019.7372. Epub 2019 Mar 12.

DOI:10.3892/etm.2019.7372
PMID:30988765
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6447902/
Abstract

Velvet antler, which exhibits immune and growth enhancing effects, is commonly used in a variety of Asian health care products, but its complex components remain unknown. The current study analyzed extracts using ultra-performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight tandem mass spectrometry in the MS mode. Automated detection and data filtering were performed using UNIFI software and peaks were compared with a proprietary scientific library (Traditional Medicine Library; TML). The results obtained using different data processing parameters (including 3D peak detection, target by mass and fragment identification) were evaluated against 87 compounds comprising 1 lignan, 30 terpenoids (including 20 triterpenes), 39 steroids, 8 alkaloids, 4 organic acids and 5 esters in the TML. Using a screening method with a mass accuracy cutoff of ±2 mDa, a retention time cutoff of ±0.2 min, a minimum response threshold of 1,000 counts and an average of 10 false detects per sample analysis, 16 phospholipids were identified in the extracts of velvet antler, three of which were quantified. The results demonstrated that there was 1.07±0.02 µg/g of 1-myristoyl-sn-glycero-3-phosphocholine, 7.05±0.52 ng/g of 1,2-dimyristoyl-sn-glycero-3-phosphocholine and 18.81±0.55 ng/g of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine in velvet antler. The current study successfully identified certain components of velvet antler. Furthermore, the results may provide an experimental basis for further pharmacological and clinical study.

摘要

鹿茸具有免疫增强和促进生长的作用,常用于多种亚洲保健品中,但其复杂的成分仍不为人知。本研究采用超高效液相色谱联用电喷雾电离四极杆飞行时间串联质谱仪在质谱模式下分析提取物。使用UNIFI软件进行自动检测和数据过滤,并将峰与专有科学库(传统医学库;TML)进行比较。针对TML中的87种化合物(包括1种木脂素、30种萜类化合物(包括20种三萜)、39种甾体、8种生物碱、4种有机酸和5种酯),评估了使用不同数据处理参数(包括三维峰检测、按质量靶向和碎片鉴定)获得的结果。采用质量准确度截止值为±2 mDa、保留时间截止值为±0.2分钟、最小响应阈值为1000计数且每次样品分析平均有10次错误检测的筛选方法,在鹿茸提取物中鉴定出16种磷脂,其中3种进行了定量。结果表明,鹿茸中1-肉豆蔻酰-sn-甘油-3-磷酸胆碱的含量为1.07±0.02 µg/g,1,2-二肉豆蔻酰-sn-甘油-3-磷酸胆碱的含量为7.05±0.52 ng/g,1-棕榈酰-2-油酰-sn-甘油-3-磷酸胆碱的含量为18.81±0.55 ng/g。本研究成功鉴定了鹿茸的某些成分。此外,研究结果可为进一步的药理和临床研究提供实验依据。

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