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GNPS_Sorangium cellulosum So ce38 and So ceGT47, various media, auto-MS2 and SPL-MS2

ABSTRACT: MS2 data set resulting from the SPL-MS2 method development as described in the publication mentioned below. The data set is based on triplicate measurements (technical) of various extracts. Extracts are mixtures of three biological replicates (see publication for explanation). In addition, blank extracts of complex cultivation medium were prepared and measured. For each extract auto-MS2 data and SPL-MS2 data is available.

INSTRUMENT(S): maXis 4G

ORGANISM(S): Sorangium Cellulosum So Ce38 Sorangium Cellulosum So Cegt47

SUBMITTER: Rolf Mueller

PROVIDER: MSV000078960 | GNPS | Sun Dec 07 18:48:00 GMT 2014

REPOSITORIES: GNPS

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Publications

Improving natural products identification through targeted LC-MS/MS in an untargeted secondary metabolomics workflow.

Hoffmann Thomas T Krug Daniel D Hüttel Stephan S Müller Rolf R

Analytical chemistry 20141016 21

Tandem mass spectrometry is a widely applied and highly sensitive technique for the discovery and characterization of microbial natural products such as secondary metabolites from myxobacteria. Here, a data mining workflow based on MS/MS precursor lists targeting only signals related to bacterial metabolism is established using LC-MS data of crude extracts from shaking flask fermentations. The devised method is not biased toward specific compound classes or structural features and is capable of ...[more]

PMID: 25280058

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