(Q27902332)

Creative Commons Attribution 4.0 International

volume

8

0 references

issue

1

0 references

page(s)

5

0 references

copyright license

start time

1 February 2016

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

Computational mass spectrometry for small molecules

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Automatic recalibration and processing of tandem mass spectra using formula annotation

20 March 2017

1 reference

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Elemental composition determination based on MSn

20 March 2017

1 reference

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

20 March 2017

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In silico fragmentation for computer assisted identification of metabolite mass spectra

20 March 2017

1 reference

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HMDB: a knowledgebase for the human metabolome

20 March 2017

1 reference

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Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry

20 March 2017

1 reference

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From genomics to chemical genomics: new developments in KEGG

20 March 2017

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The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics

20 March 2017

1 reference

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Identifying the Unknowns by Aligning Fragmentation Trees

20 March 2017

1 reference

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Searching molecular structure databases with tandem mass spectra using CSI:FingerID.

20 March 2017

1 reference

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Using fragmentation trees and mass spectral trees for identifying unknown compounds in metabolomics

29 September 2017

1 reference

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Accelerated isotope fine structure calculation using pruned transition trees

29 September 2017

1 reference

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Metabolite identification through multiple kernel learning on fragmentation trees

29 September 2017

1 reference

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Efficient ring perception for the Chemistry Development Kit

29 September 2017

1 reference

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MS/MS networking guided analysis of molecule and gene cluster families.

29 September 2017

1 reference

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MetFusion: integration of compound identification strategies

29 September 2017

1 reference

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MolFind: a software package enabling HPLC/MS-based identification of unknown chemical structures

29 September 2017

1 reference

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An accelerated workflow for untargeted metabolomics using the METLIN database

29 September 2017

1 reference

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Metabolite identification and molecular fingerprint prediction through machine learning.

29 September 2017

1 reference

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Mass spectral reference libraries: an ever-expanding resource for chemical identification

29 September 2017

1 reference

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Mass spectral molecular networking of living microbial colonies

29 September 2017

1 reference

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Innovation: Metabolomics: the apogee of the omics trilogy

29 September 2017

1 reference

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Computing fragmentation trees from metabolite multiple mass spectrometry data

29 September 2017

1 reference

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The isotopic distribution conundrum

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4736045

Computing fragmentation trees from tandem mass spectrometry data

29 September 2017

1 reference

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

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4736045

On the proper use of mass accuracy in proteomics.

29 September 2017

1 reference

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Robust algorithm for alignment of liquid chromatography-mass spectrometry analyses in an accurate mass and time tag data analysis pipeline

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4736045

Isotope abundance analysis methods and software for improved sample identification with supersonic gas chromatography/mass spectrometry

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4736045

Isotopic pattern and accurate mass determination in urine drug screening by liquid chromatography/time-of-flight mass spectrometry

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4736045

MIDAS: a database-searching algorithm for metabolite identification in metabolomics.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4736045

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

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4736045

Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification

2 June 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0116-8

Automatic chemical structure annotation of an LC-MS(n) based metabolic profile from green tea.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0116-8

Substructure-based annotation of high-resolution multistage MS(n) spectral trees

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0116-8

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0116-8

Probabilistic assignment of formulas to mass peaks in metabolomics experiments

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0116-8

Highly accurate chemical formula prediction tool utilizing high-resolution mass spectra, MS/MS fragmentation, heuristic rules, and isotope pattern matching

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0116-8

SIRIUS: decomposing isotope patterns for metabolite identification

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0116-8

Molecular Formula Identification Using Isotope Pattern Analysis and Calculation of Fragmentation Trees

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0116-8

Systematic structural characterization of metabolites in Arabidopsis via candidate substrate-product pair networks.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0116-8

Towards de novo identification of metabolites by analyzing tandem mass spectra

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0116-8

Finding maximum colorful subtrees in practice

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0116-8

Combinatorial approaches for mass spectra recalibration.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0116-8

Winners of CASMI2013: Automated Tools and Challenge Data

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0116-8

The Ame2003 atomic mass evaluation

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0116-8

Importance of the electron mass in the calculations of exact mass by time-of-flight mass spectrometry

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/26839597

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Speedy Colorful Subtrees

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-016-0116-8

Estimates of the Regression Coefficient Based on Kendall's Tau

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-016-0116-8

Computational mass spectrometry for small-molecule fragmentation

5 February 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-016-0116-8

5 February 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-016-0116-8

Fix the antibiotics pipeline.

5 February 2023

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.1186/S13321-016-0116-8

Metabolic oxidation regulates embryonic stem cell differentiation

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.1186/S13321-016-0116-8

Identifiers

DOI

10.1186/S13321-016-0116-8

0 references

1 reference

journals/jcheminf/BockerD16

1 reference

DBLP Dataset 2021-01-02