Authentication of the species identity of squid rings using UHPLC-Q-Orbitrap MS/MS-based lipidome fingerprinting and chemoinformatics

Pranamya C Haridas; Rajesh Ravichandran; Nasiruddin Shaikh; Pankaj Kishore; Satyen Kumar Panda; Kaushik Banerjee; Niladri Sekhar Chatterjee

doi:10.1016/j.foodchem.2024.138525

Authentication of the species identity of squid rings using UHPLC-Q-Orbitrap MS/MS-based lipidome fingerprinting and chemoinformatics

Food Chem. 2024 Jun 1:442:138525. doi: 10.1016/j.foodchem.2024.138525. Epub 2024 Jan 20.

Authors

Pranamya C Haridas¹, Rajesh Ravichandran², Nasiruddin Shaikh³, Pankaj Kishore², Satyen Kumar Panda⁴, Kaushik Banerjee³, Niladri Sekhar Chatterjee⁵

Affiliations

¹ National Reference Laboratory, ICAR-Central Institute of Fisheries Technology, Matsyapuri P.O., W. Island, Cochin 682029, India; Department of Chemical Oceanography, School of Marine Sciences, Cochin University of Science and Technology, Cochin 682016, India.
² National Reference Laboratory, ICAR-Central Institute of Fisheries Technology, Matsyapuri P.O., W. Island, Cochin 682029, India.
³ National Referral Laboratory, ICAR-National Research Centre for Grapes, Manjri Farm, Pune 412307, India.
⁴ National Reference Laboratory, ICAR-Central Institute of Fisheries Technology, Matsyapuri P.O., W. Island, Cochin 682029, India; Food Safety and Standards Authority of India, FDA Bhawan, Kotla Road, New Delhi 110002, India.
⁵ National Reference Laboratory, ICAR-Central Institute of Fisheries Technology, Matsyapuri P.O., W. Island, Cochin 682029, India. Electronic address: niladri_icar@hotmail.com.

PMID: 38271906
DOI: 10.1016/j.foodchem.2024.138525

Abstract

Species mislabeling of commercial loliginidae squid can undermine important conservation efforts and prevent consumers from making informed decisions. A comprehensive lipidomic fingerprint of Uroteuthis singhalensis, Uroteuthis edulis, and Uroteuthis duvauceli rings was established using high-resolution mass spectrometry-based lipidomics and chemoinformatics analysis. The principal component analysis showed a clear separation of sample groups, with R²X and Q² values of 0.97 and 0.85 for ESI⁺ and 0.96 and 0.86 for ESI^-, indicating a good model fit. The optimized OPLS-DA and PLS-DA models could discriminate the species identity of validation samples with 100 % accuracy. A total of 67 and 90 lipid molecules were putatively identified as biomarkers in ESI⁺ and ESI^-, respectively. Identified lipids, including PC(40:6), C14 sphingomyelin, PS(O-36:0), and PE(41:4), played an important role in species discrimination. For the first time, this study provides a detailed lipidomics profile of commercially important loliginidae squid and establishes a faster workflow for species authentication.

Keywords: Biomarker identification; High-resolution mass spectrometry; Lipidomics; Loliginidae squid; Seafood fraud.

MeSH terms

Cheminformatics
Chromatography, High Pressure Liquid
Lipidomics*
Tandem Mass Spectrometry*