The clinical-stage drug BTZ-043 accumulates in murine tuberculosis lesions and efficiently acts against Mycobacterium tuberculosis

This dataset contains four LC-MS/MS experiments that were performed with two instrument platforms:1) Supplementary Data 3 (Figure 6a, Supplementary Figure 8, LC-MS of Cyrosections) and Supplementary Data 7 (Supplementary Figure 3c, LC-MS of Cyrosections):Liquid chromatography was performed on an Agilent 1100 Series HPLC (Agilent Technologies, Santa Clara, CA, USA) using a SeQuant® ZIC®-HILIC column (Merck Millipore SeQuant, 2.1 inner diameter x 150 mm length with 5 μm particle size, pore-size 200 Å) coupled to Micromass Quattro Premier XE triple quadrupole mass spectrometer (Waters Corporation, Milford, MA, USA) using ESI was operated in positive ion mode using MRM.

2) Supplementary Data 4 (Figure 6b, Anaylsis of LCM derived material),  Supplementary Data 6 (Supplementary Figure 3a, Tissue Mimetics):LC-MS/MS analysis was performed with a 1100 Series HPLC (Agilent Technologies, Santa Clara, CA, USA) using a XSelect® CSHTM C18 column (2.1 inner diameter x 150 mm length with 5 μm particle size, pore-size 130 Å) (Waters, Corporation, Milford, MA, USA) coupled to the triple quadrupole mass spectrometer XEVO TQ-MS (Waters, Corporation, Milford, MA, USA).

All experiments were performed with an ESI source operated in positive ion mode.The four data folder contain raw data, sample information and data processing details for determining the quantity of BTZ-043 in the respective sample material. The experimental data is compiled in to 4 subfolder:1. MassLynx_Samplelist (acquisition information for related sequences)2. Raw_Files (all original data files in Waters proprietary data format)3. Reports_PDF (shows results of peak integration of MassLynx 4.1 / 4.2 processing for samples and calibration)4. TargetLynx_Files (summary file in Waters proprietary data format)Finally one *.xlsx file is added describing the complete data processing pipeline until the determined quantities that are published in the respective figures given in the file name.