Combination of Structure Databases, In Silico Fragmentation, and MS/MS Libraries for Untargeted Screening of Non-Volatile Migrants from Recycled High-Density Polyethylene Milk Bottles

Safety concerns of recycling postconsumer polyolefins for food contact uses: Regarding (semi-)volatile migrants untargetedly screened

(2021) Qi-Zhi Su et al.   RESOURCES CONSERVATION AND RECYCLING

Decontamination efficiencies of post-consumer high-density polyethylene milk bottles and prioritization of high concern volatile migrants

(2021) Qi-Zhi Su et al.   RESOURCES CONSERVATION AND RECYCLING

Odorant composition of post-consumer LDPE bags originating from different collection systems

(2020) Andrea Cabanes et al.   WASTE MANAGEMENT

Cheminformatics in MS-based environmental exposomics: Current achievements and future directions

(2020) Milka Ljoncheva et al.   Trends in Environmental Analytical Chemistry

The challenge of deodorizing post-consumer polypropylene packaging: Screening of the effect of washing, color-sorting and heat exposure

(2020) Miriam Strangl et al.   RESOURCES CONSERVATION AND RECYCLING

Review of analytical approaches for the identification of non-intentionally added substances in paper and board food contact materials

(2019) Ruud J.B. Peters et al.   TRENDS IN FOOD SCIENCE & TECHNOLOGY

SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information

(2019) Kai Dührkop et al.   NATURE METHODS

CliqueMS: A computational tool for annotating in-source metabolite ions from LC-MS untargeted metabolomics data based on a coelution similarity network

(2019) Oriol Senan et al.   BIOINFORMATICS

Evaluation of the efficiency of odor removal from recycled HDPE using a modified recycling process

(2019) Miriam Strangl et al.   RESOURCES CONSERVATION AND RECYCLING

The metaRbolomics Toolbox in Bioconductor and beyond

(2019) Jan Stanstrup et al.   Metabolites

Creating a Reliable Mass Spectral–Retention Time Library for All Ion Fragmentation-Based Metabolomics

(2019) Ipputa Tada et al.   Metabolites

Comparison of the odorant composition of post-consumer high-density polyethylene waste with corresponding recycled and virgin pellets by combined instrumental and sensory analysis

(2018) Miriam Strangl et al.   JOURNAL OF CLEANER PRODUCTION

Identification of leachable impurities in an ophthalmic drug product originating from a polymer additive Irganox 1010 using mass spectroscopy

(2018) Gagandeep Singh et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

An overview of non-targeted screening strategies based on high resolution accurate mass spectrometry for the identification of migrants coming from plastic food packaging materials

(2018) M.J. Martínez-Bueno et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Overview of known plastic packaging-associated chemicals and their hazards

(2018) Ksenia J. Groh et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Hydrogen Rearrangement Rules: Computational MS/MS Fragmentation and Structure Elucidation Using MS-FINDER Software

(2016) Hiroshi Tsugawa et al.   ANALYTICAL CHEMISTRY

MetFrag relaunched: incorporating strategies beyond in silico fragmentation

(2016) Christoph Ruttkies et al.   Journal of Cheminformatics

MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysis

(2015) Hiroshi Tsugawa et al.   NATURE METHODS

The challenge of identifying non-intentionally added substances from food packaging materials: A review

(2013) C. Nerin et al.   ANALYTICA CHIMICA ACTA

MRMPROBS: A Data Assessment and Metabolite Identification Tool for Large-Scale Multiple Reaction Monitoring Based Widely Targeted Metabolomics

(2013) Hiroshi Tsugawa et al.   ANALYTICAL CHEMISTRY

Monitoring the degradation of stabilization systems in polypropylene during accelerated aging tests by liquid chromatography combined with atmospheric pressure chemical ionization mass spectrometry

(2013) Susanne Beißmann et al.   POLYMER DEGRADATION AND STABILITY

CAMERA: An Integrated Strategy for Compound Spectra Extraction and Annotation of Liquid Chromatography/Mass Spectrometry Data Sets

(2011) Carsten Kuhl et al.   ANALYTICAL CHEMISTRY

Determination of volatile organic compounds in recycled polyethylene terephthalate and high-density polyethylene by headspace solid phase microextraction gas chromatography mass spectrometry to evaluate the efficiency of recycling processes

(2011) Camila Dutra et al.   JOURNAL OF CHROMATOGRAPHY A

MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data

(2010) Tomáš Pluskal et al.   BMC BIOINFORMATICS

XCMS2: Processing Tandem Mass Spectrometry Data for Metabolite Identification and Structural Characterization

(2008) H. P. Benton et al.   ANALYTICAL CHEMISTRY