MSLIB — a versatile tool for handling and interpreting mass spectral data (original) (raw)

BMDMS-NP: A comprehensive ESI-MS/MS spectral library of natural compounds

Kyoung Tai No

Phytochemistry, 2020

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MolFind: A Software Package Enabling HPLC/MS-Based Identification of Unknown Chemical Structures

Steven Lai

Analytical Chemistry, 2012

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Linking in silico MS/MS spectra with chemistry data to improve identification of unknowns

Hussein Al Ghoul

Scientific Data

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mMass 3: A Cross-Platform Software Environment for Precise Analysis of Mass Spectrometric Data

Petr Novák

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MassBank: a public repository for sharing mass spectral data for life sciences

Tomoyoshi Soga

2010

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Evaluation of the sensitivity of the ‘Wiley registry of tandem mass spectral data, MSforID’ with MS/MS data of the ‘NIST/NIH/EPA mass spectral library’

Bernd P. Berger

Journal of Mass Spectrometry, 2013

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Testing an alternative search algorithm for compound identification with the ‘Wiley Registry of Tandem Mass Spectral Data, MSforID’

Bernd P. Berger

Journal of Mass Spectrometry, 2013

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The HITRAN2012 molecular spectroscopic database

Vladimir Tyuterev

Journal of Quantitative Spectroscopy and Radiative Transfer, 2013

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MS/MS data improves automated determination of molecular formulas by mass spectrometry

Markus Meringer

2011

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Applications of computer software for the interpretation and management of mass spectrometry data in pharmaceutical science

Antony J Williams

Current Topics in Medicinal Chemistry, 2002

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Chemical information from computer-processed high resolution mass spectral data: determination of the fragmentation patterns of multifunctional compounds

Laurence McKeen

Analytical Chemistry, 1979

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Introduction to MOLE DB-on-line Molecular Descriptors Database.

Roberto Todeschini, Davide Ballabio

2009

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The HITRAN 2008 molecular spectroscopic database

Vincent Boudon

Journal of Quantitative Spectroscopy and Radiative Transfer, 2009

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The HITRAN 2004 molecular spectroscopic database

Robert Gamache

Journal of Quantitative Spectroscopy & Radiative Transfer, 2005

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Computer based search and retrieval system for rapid mass spectral screening of samples

Geoffrey Eglinton

Analytical Chemistry, 1975

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Analysis and screening of combinatorial libraries using mass spectrometry

Richard Van Breemen

Biopharmaceutics & Drug Disposition, 2001

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Assessing the reliability of the NIST library during routine GC-MS analyses: Structure and spectral data corroboration for 5,5-diphenyl-1,3-dioxolan-4-one during a recent OPCW proficiency test

Armando Alcaraz

Journal of mass spectrometry : JMS, 2018

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Advances in structure elucidation of small molecules using mass spectrometry

Tobias Kind

Bioanalytical reviews, 2010

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Mass Spectrometry of Inorganic and Organometallic Compounds: ToolsTechniquesTips

Scott McIndoe

2005

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4th Conference of Polish Mass Spectrometry Society, Trzebnica, 26-29.05. 2014: Programs and Abstracts

Marek Cebrat

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An overview of tools, software, and methods for natural product fragment and mass spectral analysis

Fidele Ntie-Kang

Physical Sciences Reviews, 2019

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The HITRAN Molecular Spectroscopic Database: Edition of 2000 Including Updates Through 2001

Aaron Goldman

Journal of Quantitative …, 2003

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Identification of “Known Unknowns” Utilizing Accurate Mass Data and Chemical Abstracts Service Databases

James Little, Alexey Pshenichnov

Journal of The American Society for Mass Spectrometry, 2011

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Automated molecular formula determination by tandem mass spectrometry (MS/MS

Suwatchai Jarussophon

Analyst, 2009

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Mass Spectrometry and Its Importance for the Analysis and Discovery of Active Molecules in Natural Products

Paco Noriega

Natural Drugs from Plants

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PeakML/mzMatch: A File Format, Java Library, R Library, and Tool-Chain for Mass Spectrometry Data Analysis

Andris Jankevics

Analytical …

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Curatr: a web application for creating, curating, and sharing a mass spectral library

Prasad Phapale

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Book Review: Mass Spectral and GC Data of Drugs, Poisons, Pesticides, Pollutants and Their Metabolites. Volumes 1–3, 2nd edition. By K. Pfleger, H. H. Maurer and A. Weber

Müfit Bahadir

Angewandte Chemie International Edition in English, 1994

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“MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies

Kamel Mansouri

Journal of Cheminformatics

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Methods to extract molecular and bulk chemical information from series of complex mass spectra with limited mass resolution

Samantha Thompson, Harald Stark

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CFM-ID: a web server for annotation, spectrum prediction and metabolite identification from tandem mass spectra

Russ Greiner

Nucleic acids research, 2014

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Computer-assisted structure verification and elucidation tools in NMR-based structure elucidation

Mikhail Elyashberg

Progress in Nuclear Magnetic Resonance Spectroscopy, 2008

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