Spectral Libraries | List of Frontiers open access articles

Technology and Code

Published on 09 Mar 2021

Open, High-Resolution EI+ Spectral Library of Anthropogenic Compounds

in Environmental Health and Exposome

Elliott J. Price
Jirí Palát
Katerina Coufaliková
Petr Kukučka
Garry Codling
Chiara Maria Vitale
Štěpán Koudelka
Jana Klánová

Frontiers in Public Health

doi 10.3389/fpubh.2021.622558

7,871 views
17 citations

Original Research

Published on 25 Oct 2024

A complementary approach for detecting biological signals through a semi-automated feature selection tool

in Analytical Chemistry

Gabriel Santos Arini
Luiz Gabriel Souza Mencucini
Rafael de Felício
Luís Guilherme Pereira Feitosa
Paula Rezende-Teixeira
Henrique Marcel Yudi de Oliveira Tsuji
Alan Cesar Pilon
Danielle Rocha Pinho
Letícia Veras Costa Lotufo
Norberto Peporine Lopes

Frontiers in Chemistry

doi 10.3389/fchem.2024.1477492

2,777 views
1 citation

Case Report

Published on 20 Oct 2025

When the cure turns toxic: a case report on toxic alkaloids identified by public mass spectral databases

in Precision Medicine

Yuyan Lei
Qin Yi
Junli Lu
Yanghao Sheng
Ying Xue

Frontiers in Medicine

doi 10.3389/fmed.2025.1681334

1,577 views

Review

Published on 12 Nov 2025

AI redefines mass spectrometry chemicals identification: retention time prediction in metabolomics and for a Human Exposome Project

in Environmental Health and Exposome

Fenna C. M. Sillé
Carsten Prasse
Thomas Luechtefeld
Thomas Hartung

Frontiers in Public Health

doi 10.3389/fpubh.2025.1687056

3,577 views
2 citations

Original Research

Published on 02 Dec 2021

A Novel Approach to Characterize the Lipidome of Marine Archaeon Nitrosopumilus maritimus by Ion Mobility Mass Spectrometry

in Biology of Archaea

Kai P. Law
Wei He
Jianchang Tao
Chuanlun Zhang

Frontiers in Microbiology

doi 10.3389/fmicb.2021.735878

5,820 views
6 citations

Original Research

Published on 25 Oct 2019

A Surface-Enhanced Raman Spectral Library of Important Drugs Associated With Point-of-Care and Field Applications

in Analytical Chemistry

Stuart Farquharson
Carl Brouillette
Wayne Smith
Chetan Shende

Frontiers in Chemistry

doi 10.3389/fchem.2019.00706

12,947 views
50 citations

Original Research

Published on 19 Feb 2026

A label-free microLC–SWATH-MS methodology with immunoaffinity depletion of highly abundant serum proteins for quantitative proteomic comparison of fresh-frozen human normal breast tissue and tumor clinical specimens

in Molecular Diagnostics and Therapeutics

Katarzyna Macur
Aleksandra E. Bogucka
Anna Fel-Tukalska
Jarosław Skokowski
Stanisław Ołdziej
Paulina Czaplewska

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2026.1739472

640 views

Articles

Open, High-Resolution EI+ Spectral Library of Anthropogenic Compounds

A complementary approach for detecting biological signals through a semi-automated feature selection tool

When the cure turns toxic: a case report on toxic alkaloids identified by public mass spectral databases

AI redefines mass spectrometry chemicals identification: retention time prediction in metabolomics and for a Human Exposome Project

A Novel Approach to Characterize the Lipidome of Marine Archaeon Nitrosopumilus maritimus by Ion Mobility Mass Spectrometry

A Surface-Enhanced Raman Spectral Library of Important Drugs Associated With Point-of-Care and Field Applications

A label-free microLC–SWATH-MS methodology with immunoaffinity depletion of highly abundant serum proteins for quantitative proteomic comparison of fresh-frozen human normal breast tissue and tumor clinical specimens