Dataset to support 'Rapid and accurate biological sex estimation by LAP-MALDI MS analysis of child teeth'

Description

This dataset includes raw and processed data demonstrating the use of a new rapid workflow for estimating the biological sex of human individuals using liquid atmospheric-pressure matrix-assisted laser desorption/ionisation (LAP-MALDI) mass spectrometry (MS) and MS/MS analysis of amelogenin peptides. By applying a straightforward classification rule that leverages a panel of MS and MS/MS ion signals, it was also possible to estimate the biological sex of deciduous teeth.

All teeth were obtained from a single site (St. Oswald’s Priory, Gloucester, UK) and together with their skeletal remains curated by the Department of Archaeology at the University of Reading.

All MS and MS/MS analyses were conducted using a modified Synapt G2-Si (Waters, Wilmslow, UK) equipped with a custom-built atmospheric pressure MALDI source.
Raw data were processed with Mascot Distiller (Version 2.8.5.0, 64-bit; Matrix Science, London, UK) for automated peak picking, with each raw data file analysed using three different signal-to-noise ratios (S/N): 2, 10, and 50.

Resource Type:	Dataset
Creators:	Adair, Lily R. ORCID: https://orcid.org/0009-0001-2652-9960 and Cramer, Rainer ORCID: https://orcid.org/0000-0002-8037-2511
Rights-holders:	University of Reading
Data Publisher:	University of Reading
Publication Year:	2025
Data last accessed:	31 October 2025
DOI:	https://doi.org/10.17864/1947.001402
Metadata Record URL:	https://researchdata.reading.ac.uk/id/eprint/1402
Organisational units:	Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry
Participating Organisations:	University of Reading
Keywords:	mass spectrometry, liquid atmospheric-pressure matrix-assisted laser desorption/ionisation (LAP-MALDI), sex estimation, deciduous, amelogenin, peptide identification, proteomics
Rights:	Creative Commons Attribution 4.0 International
Data Availability:	OPEN
Additional details Additional details Project Name: Advancing LAP-MALDI mass spectrometry profiling/biotyping for the analysis of microbes and their pathogenicity, A Cost-Effective High-Speed Clinical Diagnostics Instrument for Large Population Screening Based on Novel Liquid AP-MALDI MS Technology Funders: Engineering and Physical Sciences Research Council (EP/V047485/1) Resource Language: English Collection period: From 15 November 2024 To 8 January 2025 Temporal coverage: From 0900 To 1540 Depositing User: Lily Adair Date Deposited: 18 Feb 2025 14:49 Last Modified: 03 Oct 2025 13:31