Evidence map›Paper›PMID 37390485›Full record

ArticleAnalytical chemistry2023

Alternative Identification of Glycosides Using MS/MS Matching with an In Silico-Modified Aglycone Mass Spectra Library.

Elys P Rodríguez, Yuanyue Li, Arpana Vaniya, Patrick M Shih, Oliver Fiehn

Open access · greenAbstract read
In one paragraph

Article in Analytical chemistry, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it
0cells of the map it votes in
5citing papers in PubMed
0.9field-weighted citation impact, top 25% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

5 citing papers in PubMed, 6 citations in OpenAlex.

  1. International journal of molecular sciences · 2026
    Article
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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

5 authors at 2 institutions in 1 country.

Elys P RodríguezDepartment of Chemistry, University of California Davis, Davis, California 95616, United States.
Yuanyue LiWest Coast Metabolomics Center, University of California Davis, Davis, California 95616, United States.ORCID 0000-0001-5971-0355
Arpana VaniyaWest Coast Metabolomics Center, University of California Davis, Davis, California 95616, United States.
Patrick M ShihDepartment of Plant and Microbial Biology, University of California Berkeley, Berkeley, California 94720, United States.
Oliver FiehnWest Coast Metabolomics Center, University of California Davis, Davis, California 95616, United States.ORCID 0000-0002-6261-8928
University of California, Davis · USLawrence Berkeley National Laboratory · US

Funding

UC Davis Training Program in Chemical BiologyT32GM136597 · NIGMS · UNIVERSITY OF CALIFORNIA AT DAVIS · PI SHEILA Sue DAVID, Marie C. Heffern · 2021 to 2026
$1.7M
Integrating metagenomics data into accurate mass stool metabolite identificationsR03OD034497 · OD · UNIVERSITY OF CALIFORNIA AT DAVIS · PI FIEHN, OLIVER · 2022 to 2022
$319k
NIGMS NIH HHS T32 GM136597NIH HHS R03 OD034497
6 · The paper itself

Abstract

Glycosylation of metabolites serves multiple purposes. Adding sugars makes metabolites more water soluble and improves their biodistribution, stability, and detoxification. In plants, the increase in melting points enables storing otherwise volatile compounds that are released by hydrolysis when needed. Classically, glycosylated metabolites were identified by mass spectrometry (MS/MS) using [M-sugar] neutral losses. Herein, we studied 71 pairs of glycosides with their respective aglycones, including hexose, pentose, and glucuronide moieties. Using liquid chromatography (LC) coupled to electrospray ionization high-resolution mass spectrometry, we detected the classic [M-sugar] product ions for only 68% of glycosides. Instead, we found that most aglycone MS/MS product ions were conserved in the MS/MS spectra of their corresponding glycosides, even when no [M-sugar] neutral losses were observed. We added pentose and hexose units to the precursor masses of an MS/MS library of 3057 aglycones to enable rapid identification of glycosylated natural products with standard MS/MS search algorithms. When searching unknown compounds in untargeted LC-MS/MS metabolomics data of chocolate and tea, we structurally annotated 108 novel glycosides in standard MS-DIAL data processing. We uploaded this new in silico-glycosylated product MS/MS library to GitHub to enable users to detect natural product glycosides without authentic chemical standards.

Indexed as

GlycosidesTandem Mass SpectrometryChromatography, High Pressure LiquidChromatography, LiquidIonsSpectrometry, Mass, Electrospray IonizationSugarsTissue DistributionGlycosidesIonsSugars

Identifiers

PMID37390485
PMCPMC11493435
OpenAlexW4382654187

What OpenQuestion holds

Textmetadata
LicenceTDM
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.