GNPSapplication/xmlftp://massive-ftp.ucsd.edu/v01/MSV000079601/primaryOK2000000MetabolomicsJuliane HollenderLTQ Orbitrap XLNonehttps://massive.ucsd.edu/ProteoSAFe/dataset.jsp?task=2fe4ad3732c74bacb3e864d6540a5e27GNPS112MS:1002864 - No post-translational-modifications are included in the identified peptides of this dataset0falseGNPS - Characterising Swiss Wastewater with HR-MS/MS 2014Paper title: Strategies to Characterize Polar Organic Contamination in Wastewater: Exploring the Capability of High Resolution Mass Spectrometry. Author List: Schymanski EL, Singer HP, Longree P, Loos M, Ruff M, Stravs MA, Ripolles Vidal C, Hollender J. Citation: Environ. Sci. Technol. 2014, 48, 1811-1818. doi: 10.1021/es4044374 Brief description of the data submitted: Peak lists and raw files used in the non-target analysis of Swiss wastewater with HR-MS/MS. High accuracy, high resolution data combined with tailor-made nontarget processing methods (all available online) provided vital information for the identification of a wider range of heteroatom-containing compounds in the environment.Tue Mar 22 14:18:00 GMT 2016MSV00007960132644