Characterization of lemon (Citrus limon) polar extract by liquid chromatography-tandem mass spectrometry in high resolution mode
Characterization of lemon (Citrus limon) polar extract by liquid chromatography-tandem mass spectrometry in high resolution mode
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DOI：
10.1002/jms.3637
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发表时间：
2015-11-01
影响因子：
2.3
通讯作者：
Luque de Castro, M. D.
中科院分区：
文献类型：
--
作者：
Ledesma-Escobar, C. A.;Priego-Capote, F.;Luque de Castro, M. D.
在没有参考标准的情况下，通过液相色谱-四极飞行时间MS/MS谱图和与数据库的比较，初步鉴定出柠檬极性提取物中的84种代谢物（32种黄酮类化合物、15种氨基酸、9种羧酸、6种香豆素、6种糖、5种酚酸和11种未分类化合物）。尽管某些植物化合物家族的数据库信息很差，但在已知的化合物家族碎片模式的帮助下，基于质谱/质谱信息（前体离子及其碎片的质量，以及中性质量损失）的初步鉴定是可能的。同时采用正负电离模式和至少两种碰撞能量，从每个分子实体中获取尽可能多的信息，从而有助于识别。由于初步鉴定的代谢物无论属于哪种生物都是相同的，因此它们的碎片模式有助于独立于样品性质的鉴定。版权所有：John Wiley & Sons， Ltd
Eighty four metabolites (32 flavonoids, 15 amino acids, nine carboxylic acids, six coumarins, six sugars, five phenolic acids and 11 unclassified compounds) have been tentatively identified in a polar extract from lemon, without reference standards, based on their liquid chromatography-quadrupole-time-of-flight MS/MS spectra and the comparison with databases. Despite information in databases for some families of plant compounds is poor, tentative identification based on MS/MS information (mass of the precursor ion and their fragments, together with neutral mass loss) was possible with the help of known fragmentation patterns for the given families of compounds. Both positive and negative ionization modes and at least two collision energies were always applied to obtain as much information as possible from each molecular entity, thus helping for identification. As the tentatively identified metabolites are the same regardless of the organism they belong, their fragmentation patterns are useful for identification with independence of the sample nature. Copyright (c) 2015 John Wiley & Sons, Ltd.