Predicting fragment intensities and retention time of iTRAQ- and TMTPro-labeled peptides with Prosit-TMT.

Fragment intensity prediction Prosit Retention time prediction TMTPro iTRAQ

Journal

Proteomics
ISSN: 1615-9861
Titre abrégé: Proteomics
Pays: Germany
ID NLM: 101092707

Informations de publication

Date de publication:
10 2022
Historique:
revised: 22 04 2022
received: 13 02 2022
accepted: 05 05 2022
pubmed: 18 5 2022
medline: 22 10 2022
entrez: 17 5 2022
Statut: ppublish

Résumé

Isobaric labeling increases the throughput of proteomics by enabling the parallel identification and quantification of peptides and proteins. Over the past decades, a variety of isobaric tags have been developed allowing the multiplexed analysis of up to 18 samples. However, experiments utilizing such tags often exhibit reduced identification rates and thus show decreased analytical depth. Re-scoring has been shown to rescue otherwise missed identifications but was not yet systematically applied on isobarically labeled data. Because iTRAQ 4/8-plex and the recently released TMTpro 16/18-plex share similar characteristics with TMT 6/10/11-plex, we hypothesized that Prosit-TMT, trained exclusively on 6/10/11-plex labeled peptides, may be applicable to these isobaric labeling strategies as well. To investigate this, we re-analyzed nine publicly available datasets covering iTRAQ and TMTpro labeling for samples with human and mouse origin. We highlight that Prosit-TMT shows remarkably good performance when comparing experimentally acquired and predicted fragmentation spectra (R of 0.84 - 0.9) and retention times (ΔRT95% of 3% - 10% gradient time) of peptides. Furthermore, re-scoring substantially increases the number of confidently identified spectra, peptides, and proteins.

Identifiants

pubmed: 35578405
doi: 10.1002/pmic.202100257
doi:

Substances chimiques

Peptides 0
Proteins 0
Indicators and Reagents 0

Types de publication

Journal Article Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

e2100257

Informations de copyright

© 2022 The Authors. Proteomics published by Wiley-VCH GmbH.

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Auteurs

Wassim Gabriel (W)

Computational Mass Spectrometry, Technical University of Munich, Freising, Germany.

Victor Giurcoiu (V)

Computational Mass Spectrometry, Technical University of Munich, Freising, Germany.

Ludwig Lautenbacher (L)

Computational Mass Spectrometry, Technical University of Munich, Freising, Germany.

Mathias Wilhelm (M)

Computational Mass Spectrometry, Technical University of Munich, Freising, Germany.

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