Simultaneous extraction and quantitative analysis of S-Methyl-l-Cysteine Sulfoxide, sulforaphane and glucosinolates in cruciferous vegetables by liquid chromatography mass spectrometry

Armaghan Shafaei; Caroline R Hill; Jonathan M Hodgson; Lauren C Blekkenhorst; Mary C Boyce

doi:10.1016/j.fochx.2023.101065

Simultaneous extraction and quantitative analysis of S-Methyl-l-Cysteine Sulfoxide, sulforaphane and glucosinolates in cruciferous vegetables by liquid chromatography mass spectrometry

Food Chem X. 2023 Dec 14:21:101065. doi: 10.1016/j.fochx.2023.101065. eCollection 2024 Mar 30.

Authors

Armaghan Shafaei¹, Caroline R Hill², Jonathan M Hodgson^{2

3}, Lauren C Blekkenhorst^{2

3}, Mary C Boyce⁴

Affiliations

¹ Centre for Integrative Metabolomics & Computational Biology, School of Science, Edith Cowan University, Joondalup, Western Australia, Australia.
² Nutrition and Health Innovation Research Institute, School of Medical and Health Sciences, Edith Cowan University, Perth, Western Australia, Australia.
³ Royal Perth Hospital Research Foundation, Perth, Australia.
⁴ School of Science, Edith Cowan University, Joondalup, Western Australia, Australia.

Abstract

Sulfur containing compounds including glucosinolates (GLS), sulforaphane (SFN) and S-methyl-l-cysteine sulfoxide (SMCSO) have been proposed to be partly responsible for the beneficial health effects of cruciferous vegetables. As such, greater understanding of their measurements within foods is important to estimate intake in humans and to inform dietary intervention studies. Herein is described a simple and sensitive method for simultaneous analysis of 20 GLS, SFN and SMCSO by liquid chromatography mass spectrometry. Analytes were effectively retained and resolved on an Xbridge C18 column. Detection can be achieved using high resolution or unit resolution mass spectrometry; the latter making the method more applicable to large studies. Quantitative analysis using calibration standards was demonstrated for 10 GLS, SFN and SMCSO. A further 10 GLS were tentatively identified using high resolution mass spectrometry. The use of surrogate GLS standards was shown to be unreliable, with closely related GLS displaying significantly different ionisation efficiencies.

Keywords: 4-methoxyglucobrassicin (PubChem CID: 656563); Brassica; Cruciferous; Glucobrassicanapin (PubChem CID: 5485207); Glucobrassicin (PubChem CID: 5484743); Glucoerucin (PubChem CID: 656539); Glucoiberin (PubChem CID: 954862); Gluconapin (PubChem CID: 9548620); Gluconasturtiin (PubChem CID: 656555); Glucoraphanin (PubChem CID: 9548634); Glucosinolates; LC-MS; Progoitrin (PubChem CID: 5281139); S-methyl cysteine sulfoxide: (PubChem CID: 82142).; Sinigrin (PubChem CID: 23682211); Sulforaphane, S-methyl-l-cysteine sulfoxide.