Lipidomics from sample preparation to data analysis: a primer

T Züllig, M Trötzmüller, HC Köfeler - Analytical and bioanalytical chemistry, 2020 - Springer
Lipids are amongst the most important organic compounds in living organisms, where they
serve as building blocks for cellular membranes as well as energy storage and signaling …

Untargeted metabolomics strategies—challenges and emerging directions

AC Schrimpe-Rutledge, SG Codreanu… - Journal of the …, 2016 - ACS Publications
Metabolites are building blocks of cellular function. These species are involved in enzyme-
catalyzed chemical reactions and are essential for cellular function. Upstream biological …

[HTML][HTML] A lipidome atlas in MS-DIAL 4

H Tsugawa, K Ikeda, M Takahashi, A Satoh… - Nature …, 2020 - nature.com
Abstract We present Mass Spectrometry-Data Independent Analysis software version 4 (MS-
DIAL 4), a comprehensive lipidome atlas with retention time, collision cross-section and …

Identification of small molecules using accurate mass MS/MS search

T Kind, H Tsugawa, T Cajka, Y Ma, Z Lai… - Mass spectrometry …, 2018 - Wiley Online Library
Tandem mass spectral library search (MS/MS) is the fastest way to correctly annotate MS/MS
spectra from screening small molecules in fields such as environmental analysis, drug …

LipidMatch: an automated workflow for rule-based lipid identification using untargeted high-resolution tandem mass spectrometry data

JP Koelmel, NM Kroeger, CZ Ulmer, JA Bowden… - BMC …, 2017 - Springer
Background Lipids are ubiquitous and serve numerous biological functions; thus lipids have
been shown to have great potential as candidates for elucidating biomarkers and pathway …

High resolution mass spectrometry in lipidomics

T Züllig, HC Köfeler - Mass spectrometry reviews, 2021 - Wiley Online Library
The boost of research output in lipidomics during the last decade is tightly linked to improved
instrumentation in mass spectrometry. Associated with this trend is the shift from low …

[HTML][HTML] Utilizing Skyline to analyze lipidomics data containing liquid chromatography, ion mobility spectrometry and mass spectrometry dimensions

KI Kirkwood, BS Pratt, N Shulman, K Tamura… - Nature protocols, 2022 - nature.com
Lipidomics studies suffer from analytical and annotation challenges because of the great
structural similarity of many of the lipid species. To improve lipid characterization and …

Development and application of multidimensional lipid libraries to investigate lipidomic dysregulation related to smoke inhalation injury severity

KI Kirkwood, MW Christopher, JL Burgess… - Journal of proteome …, 2021 - ACS Publications
The implication of lipid dysregulation in diseases, toxic exposure outcomes, and
inflammation has brought great interest to lipidomic studies. However, lipids have proven to …

Upon the shoulders of giants: open-source hardware and software in analytical chemistry

MDM Dryden, R Fobel, C Fobel… - Analytical chemistry, 2017 - ACS Publications
Isaac Newton famously observed that “if I have seen further it is by standing on the
shoulders of giants.” We propose that this sentiment is a powerful motivation for the “open …

Common cases of improper lipid annotation using high-resolution tandem mass spectrometry data and corresponding limitations in biological interpretation

JP Koelmel, CZ Ulmer, CM Jones, RA Yost… - … et Biophysica Acta (BBA …, 2017 - Elsevier
Lipids have a wide-range of biological functions enabled by enormous diversity in lipid
structure. Combinations of structural motifs (eg, fatty acids and head group moieties linked to …