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. 2019 Jul 8;9:9822. doi: 10.1038/s41598-019-46371-w

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© The Author(s) 2019

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Analysis of the effect of blank injections during the analysis of a batch of urine samples. (A) PCA scores (PC1 and PC2) as a function of the injection order. Red circles indicate the position of the blanks; (B) Evolution of the δ value and the number of LC-MS features showing different mean peak area using as reference the mean values calculated after the injection of 8 samples for reconditioning. Note: *indicates permutation test p-value < 0.05; (C) Peak area values, RT and extracted ion chromatograms for tryptophan in urine replicates. Red dots: blanks. Colored bold lines in the chromatograms indicate the limits of the XCMS integration window; (D) Distribution (top) and mean intensity profiles (bottom) of the features included in clusters 1 and 2 (see text for details).