(Q114872548)

https://api.crossref.org/v1/works/https://doi.org/10.1016/J.TRAC.2013.09.008

26 October 2022

title

Computational mass spectrometry for small-molecule fragmentation (English)

1 reference

https://api.crossref.org/v1/works/https://doi.org/10.1016/J.TRAC.2013.09.008

26 October 2022

3

Sebastian Böcker

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https://api.crossref.org/v1/works/https://doi.org/10.1016/J.TRAC.2013.09.008

26 October 2022

2

Kerstin Scheubert

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https://api.crossref.org/v1/works/https://doi.org/10.1016/J.TRAC.2013.09.008

26 October 2022

1

Franziska Hufsky

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https://api.crossref.org/v1/works/https://doi.org/10.1016/J.TRAC.2013.09.008

26 October 2022

publication date

January 2014

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https://api.crossref.org/v1/works/https://doi.org/10.1016/J.TRAC.2013.09.008

Trends in Analytical Chemistry

26 October 2022

published in

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https://api.crossref.org/v1/works/https://doi.org/10.1016/J.TRAC.2013.09.008

26 October 2022

volume

53

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https://api.crossref.org/v1/works/https://doi.org/10.1016/J.TRAC.2013.09.008

26 October 2022

page(s)

41-48

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https://api.crossref.org/v1/works/https://doi.org/10.1016/J.TRAC.2013.09.008

Metabolite identification and molecular fingerprint prediction through machine learning.

26 October 2022

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TOPOLOGICAL MAPPING OF ORGANIC MOLECULES.

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Optimization and testing of mass spectral library search algorithms for compound identification

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Mass spectral metabonomics beyond elemental formula: chemical database querying by matching experimental with computational fragmentation spectra.

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Determination of ion structures in structurally related compounds using precursor ion fingerprinting

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Identifying the Unknowns by Aligning Fragmentation Trees

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In silico identification software (ISIS): a machine learning approach to tandem mass spectral identification of lipids.

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On the inter-instrument and the inter-laboratory transferability of a tandem mass spectral reference library: 2. Optimization and characterization of the search algorithm

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Identifiers

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