Retrieving and Utilizing Hypothetical Neutral Losses from Tandem Mass Spectra for Spectral Similarity Analysis and Unknown Metabolite Annotation

scientific article published on 19 October 2020

Retrieving and Utilizing Hypothetical Neutral Losses from Tandem Mass Spectra for Spectral Similarity Analysis and Unknown Metabolite Annotation is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1021/ACS.ANALCHEM.0C02521
P698PubMed publication ID33076659

P50authorMingliang FangQ56860764
P2093author name stringMin Liu
Yan Hu
Xiaoyu Tang
Tao Huan
Zixuan Yin
Shipei Xing
P2860cites workSeven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometryQ27136845
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Computing fragmentation trees from tandem mass spectrometry dataQ33779369
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Searching molecular structure databases with tandem mass spectra using CSI:FingerID.Q36179301
HMDB 4.0: the human metabolome database for 2018.Q43212324
SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure informationQ63352058
P577publication date2020-10-19
P1433published inAnalytical ChemistryQ485223
P1476titleRetrieving and Utilizing Hypothetical Neutral Losses from Tandem Mass Spectra for Spectral Similarity Analysis and Unknown Metabolite Annotation

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cites work (P2860)
Q114416567A Modular and Expandable Ecosystem for Metabolomics Data Annotation in R
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Q115082374Metabolite annotation from knowns to unknowns through knowledge-guided multi-layer metabolic networking
Q111148886Networks and Graphs Discovery in Metabolomics Data Analysis and Interpretation
Q108126799Spec2Vec: Improved mass spectral similarity scoring through learning of structural relationships

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