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. 2020 Sep 19;10(9):375. doi: 10.3390/metabo10090375

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© 2020 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).

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Overview of the GIPC fragmentation for the example of GIPC A-OH-t18:1/h24:0 in salad: (A) The fragment assignment of GIPC A-OH-t18:1/h24:0 (adapted from [23]). The W fragment is shown in a light blue color. Please note that a full structural characterization is not possible by RP-HRMS/MS, (B) The product ion spectrum in negative ion mode at m/z 1260.7237, showing characteristic fragments m/z 241 and 259, 355, 373 and 417. The sugar head group was confirmed by the [C₃PO₃]⁻ fragment (m/z 597, R1 = OH). [Z₀PO₃]⁻ and [Y₁-H]⁻ fragments prove the ceramide moiety. (C) The positive ion mode ddMS2 spectrum of the [M + H]⁺ precursor, exhibiting the [W]⁺, [W-H₂O]⁺ and [W-2H₂O]⁺ fragments at m/z 298, 280 and 262, which are characteristic for the t18:1 LCB.

Overview of the GIPC fragmentation for the example of GIPC A-OH-t18:1/h24:0 in salad: (A) The fragment assignment of GIPC A-OH-t18:1/h24:0 (adapted from [23]). The W fragment is shown in a light blue color. Please note that a full structural characterization is not possible by RP-HRMS/MS, (B) The product ion spectrum in negative ion mode at m/z 1260.7237, showing characteristic fragments m/z 241 and 259, 355, 373 and 417. The sugar head group was confirmed by the [C₃PO₃]⁻ fragment (m/z 597, R1 = OH). [Z₀PO₃]⁻ and [Y₁-H]⁻ fragments prove the ceramide moiety. (C) The positive ion mode ddMS2 spectrum of the [M + H]⁺ precursor, exhibiting the [W]⁺, [W-H₂O]⁺ and [W-2H₂O]⁺ fragments at m/z 298, 280 and 262, which are characteristic for the t18:1 LCB.