MetFrag Sophorolipid variant database

Metfrag database to be used for the cross comparison of sophorolipid MS2 spectra to identify the structure. The data-table can be uploaded directly to Metfrag alongside the MS2 spectra (and correct adduct)The database has been produced alongside the article (to be published) - .'<b>Uncovering the fragmentation and separation characteristics of sophorolipid biosurfactants with LC-MS-ESI</b>'.The aims of the work was to identify the key fragmentation forms for LC-MS-ESI analysis of lactonic and acidic sophorolipids - the Metfrag database stores the structural information required to compare against MS2 spectra generated by experiments. The database can be used to speed up the identification process when comparing sophorolipids with LC-MS. <br>本Metfrag数据库（Metfrag database）可用于槐糖脂的MS2质谱图交叉比对，以实现结构鉴定。该数据表可与MS2质谱图及正确的加合物一同直接上传至Metfrag数据库。本数据库与待发表论文《利用LC-MS-ESI解析槐糖脂生物表面活性剂的碎裂与分离特性》（Uncovering the fragmentation and separation characteristics of sophorolipid biosurfactants with LC-MS-ESI）同步完成研制。本研究旨在明确LC-MS-ESI分析内酯型与酸性槐糖脂时的关键碎裂模式：Metfrag数据库存储了用于与实验获取的MS2质谱图进行比对的必要结构信息。该数据库可有效加速LC-MS槐糖脂比对分析中的结构鉴定流程。