De novo Discovery of Natural Products Using Progenesis QI and Natural Product Atlas Library

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Suraj Dhungana, David Heywood, Jeff Goshawk, Giorgis Isaac
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Техническое описание
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Natural Product Atlas is outstanding resource for the natural product research community. To further the benefit of NP Atlas a desktop version of the NP Atlas library is developed. The primary benefit of the desktop version is the compatibility with the LC-MS data and ability to directly search LC-MS data against NP Atlas for compound identification, which is currently not available on the OpenAccess version. This compatibility further enables batch searches and automatic identification of compounds based on precursor exact mass, theoretical fragments and theoretical isotopic distribution, retention time and ion mobility derived CCS value. The desktop version of the NP Atlas library is freely available and can be download by visiting

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