title: From untargeted LC-QTOF analysis to characterisation of opines in abalone adductor muscle: Theory meets practice.
abstract: Abalone have a unique ability to use pyruvate, various amino acids and dehydrogenases, to produce opines as means to prevent the accumulation of NADH during anaerobic conditions. In this study, the theoretical masses, formulae and fragment patterns of butylated opines were used to predict which of these compounds could be found in the abalone adductor muscle using untargeted liquid chromatography quadrupole time-of flight-mass spectrometry. These findings were validated using synthesised opine standards. In essence alanopine, lysopine, strombine and tauropine produced in abalone adductor muscle could be characterised using the highest identification confidence levels.
authors.affiliation: Human Metabolomics, North-West University, Potchefstroom Campus, Private Bag X6001, Potchefstroom 2520, South Africa. Electronic address: Leonie.Venter@nwu.ac.za.
authors.forename: Leonie
authors.initials: L
authors.lastname: Venter
authors.affiliation: Human Metabolomics, North-West University, Potchefstroom Campus, Private Bag X6001, Potchefstroom 2520, South Africa.
authors.forename: Peet J
authors.initials: PJ
authors.lastname: Jansen van Rensburg
authors.affiliation: Human Metabolomics, North-West University, Potchefstroom Campus, Private Bag X6001, Potchefstroom 2520, South Africa.
authors.forename: Du Toit
authors.initials: DT
authors.lastname: Loots
authors.affiliation: School of Life Sciences, University of KwaZulu-Natal, Westville Campus, Private Bag X54001, Durban 4000, South Africa.
authors.forename: Andre
authors.initials: A
authors.lastname: Vosloo
authors.affiliation: Human Metabolomics, North-West University, Potchefstroom Campus, Private Bag X6001, Potchefstroom 2520, South Africa.
authors.forename: Jeremie Zander
authors.initials: JZ
authors.lastname: Lindeque
mesh_terms: D000409:Alanine / Q000031:analogs & derivatives* / Q000032:analysis; D000818:Animals; D002853:Chromatography, Liquid / Q000379:methods*; D049851:Gastropoda / Q000737:chemistry*; D013058:Mass Spectrometry / Q000379:methods*; D018482:Muscle, Skeletal / Q000737:chemistry*; D015203:Reproducibility of Results; D012521:Sarcosine / Q000031:analogs & derivatives / Q000032:analysis
chemical_list: C026051:alanopine; C026052:strombine; D000409:Alanine; D012521:Sarcosine
keywords: Abalone; Alanopine; Mass spectrometry; Opines