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. 2019 Apr 13;9(4):72. doi: 10.3390/metabo9040072

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© 2019 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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Head-to-tail plot of experimental and predicted ESI-MS/MS spectra of (PS(16:0/18:1(9Z))). (a) Head-to-tail plot showing an experimental of ESI-MS/MS spectrum of 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (PS(16:0/18:1(9Z))) measured at 40 eV, and the matching ESI-MS/MS spectrum predicted by CFM-ID 2.0. The computed spectral similarity score is 0.10. (b) Head-to-tail plot showing an experimental ESI-MS/MS spectrum of 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (PS(16:0/18:1(9Z))) measured at 40 eV, and the matching ESI-MS/MS spectrum predicted by CFM-ID 3.0. The computed similarity score is 0.92. (c) Head-to-tail plot showing an experimental ESI-MS/MS spectrum of 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (PS(16:0/18:1(9Z))) measured at 40 eV, and the matching ESI-MS/MS spectrum predicted by LipidBlast. The computed similarity score is 0.91.

Head-to-tail plot of experimental and predicted ESI-MS/MS spectra of (PS(16:0/18:1(9Z))). (a) Head-to-tail plot showing an experimental of ESI-MS/MS spectrum of 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (PS(16:0/18:1(9Z))) measured at 40 eV, and the matching ESI-MS/MS spectrum predicted by CFM-ID 2.0. The computed spectral similarity score is 0.10. (b) Head-to-tail plot showing an experimental ESI-MS/MS spectrum of 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (PS(16:0/18:1(9Z))) measured at 40 eV, and the matching ESI-MS/MS spectrum predicted by CFM-ID 3.0. The computed similarity score is 0.92. (c) Head-to-tail plot showing an experimental ESI-MS/MS spectrum of 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (PS(16:0/18:1(9Z))) measured at 40 eV, and the matching ESI-MS/MS spectrum predicted by LipidBlast. The computed similarity score is 0.91.