Exploring the rumen fluid metabolome using liquid chromatography-high-resolution mass spectrometry and Molecular Networking.
Exploring the rumen fluid metabolome using liquid chromatography-high-resolution mass spectrometry and Molecular Networking.
复制标题
使用液相色谱-高分辨率质谱和分子网络探索瘤胃液代谢组。
DOI：
10.1038/s41598-018-36196-4
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发表时间：
2018
影响因子：
4.6
通讯作者：
De Almeida RTR
中科院分区：
文献类型：
--
作者：
De Almeida RTR
瘤胃初级和次级代谢产物的含量与其细菌、原生动物、真菌、古生菌和噬菌体群落、进食饲料和宿主密切相关。尽管有无数的相互作用和新的化合物有待发现，但很少有研究探索瘤胃代谢组。在这里，我们首次使用超高效液相色谱-串联质谱仪和分子网络方法，以及各种提取方法对非哺乳期荷斯坦奶牛的瘤胃液进行了研究。根据与全球天然产物社会分子网络文库、公共光谱库匹配的准确碎片对推定的分子进行注释，或手动注释。五种提取方法的组合产生了1,882个分子特征。液液提取得到的分子特征丰度最高，为1166个，占总丰度的61.96%。使用全球天然产品社会分子网络图书馆和公共图书馆，如氢肉桂酸、杜鹃酸和莫能菌素，对67种化合物进行了注释。只有3.56%的分子特征(67个)与现有的文库匹配，这表明瘤胃作为新化合物的储存库的潜力。在这项研究中使用非靶向代谢组学提供了瘤胃液代谢组的快照。瘤胃的复杂性将长期未知，但应该鼓励使用新的工具来促进瘤胃代谢组的研究进展。
The rumen primary and secondary metabolite content is intimately related to its community of bacteria, protozoa, fungi, archaea and bacteriophages, ingested feed and the host. Despite the myriad of interactions and novel compounds to be discovered, few studies have explored the rumen metabolome. Here, we present the first study using ultra-high performance liquid chromatography tandem mass-spectrometry and Molecular Networking approach, and various extraction methods on the cell-free rumen fluid of a non-lactating Holstein cow. Putative molecules were annotated based on accurate fragmentation matching the Global Natural Products Social Molecular Networking library, public spectral libraries, or annotated manually. The combination of five extraction methods resulted on 1,882 molecular features observed. Liquid-liquid extraction resulted on the highest molecular features abundance, 1,166 (61.96% of total). Sixty-seven compounds were annotated using Global Natural Products Social Molecular Networking library and public libraries, such as hydrocinnamic and azelaic acid, and monensin. Only 3.56% of molecular features (67) observed had positive match with available libraries, which shows the potential of the rumen as reservoir of novel compounds. The use of untargeted metabolomics in this study provided a snapshot of the rumen fluid metabolome. The complexity of the rumen will remain long unknown, but the use of new tools should be encouraged to foster advances on the rumen metabolome.