AquOmixLab
@aquomixlab.bsky.social
390 followers
480 following
21 posts
Aquatic metabolomics and mass spectrometry. Natural & synthetic compounds in water. At Athens Water (EYDAP SA). Views are our own. www.aquomixlab.com #teammassspec
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AquOmixLab
@aquomixlab.bsky.social
· Nov 19
Reposted by AquOmixLab
Reposted by AquOmixLab
Reposted by AquOmixLab
Reposted by AquOmixLab
Tri Kaloudis
@trikaloudis.bsky.social
· Aug 20
Reverse Spectral Search Reimagined: A Simple but Overlooked Solution for Chimeric Spectral Annotation
The exponential growth of untargeted metabolomics data, now reaching billions of mass spectra in public repositories, benefits from reannotation strategies for data reuse. While tandem mass spectromet...
doi.org
Reposted by AquOmixLab
Reposted by AquOmixLab
Daniel Petras
@daniel-petras.bsky.social
· Jul 27
Reposted by AquOmixLab
Daniel Petras
@daniel-petras.bsky.social
· Jul 27
Reposted by AquOmixLab
Daniel Petras
@daniel-petras.bsky.social
· Jul 27
Enhancing tandem mass spectrometry-based metabolite annotation with online chemical labeling - Nature Communications
To improve annotation in non-targeted metabolomics studies, authors develop a Multiplexed Chemical Metabolomics (MCheM) platform, combining post-column derivatization with integrated data processing. ...
www.nature.com
Reposted by AquOmixLab
Reposted by AquOmixLab
Reposted by AquOmixLab
Reposted by AquOmixLab
Reposted by AquOmixLab
Kermit Murray
@kkmurray.bsky.social
· Jun 21
[ASAP] Advanced Computational Approaches for Unraveling Transformation Pathways of Organic Micropollutants in Aquatic Environments: Insights from the Photodegradation of Ciprofloxacin
Journal of the American Society for Mass SpectrometryDOI: 10.1021/jasms.5c00088
dlvr.it
Reposted by AquOmixLab
Reposted by AquOmixLab
Reposted by AquOmixLab
SEES Lab
@seeslab.bsky.social
· Jul 14
SingleFrag: a deep learning tool for MS/MS fragment and spectral prediction and metabolite annotation
Abstract. Metabolite and small molecule identification via tandem mass spectrometry (MS/MS) involves matching experimental spectra with prerecorded spectra
academic.oup.com
Reposted by AquOmixLab
Reposted by AquOmixLab
Reposted by AquOmixLab