This molecule is a bacterial metabolite. The contest data were acquired on a Dionex solvent delivery system integrated with Thermo Fisher Scientific linear ion trap/FT-ICR (LTQ-FT Ultra) mass spectrometer operated in positive ion electrospray mode. The data were acquired using flow injection. The mobile phase consisted on 50:50 (v/v) water: acetonitrile both containing 0.1% formic acid. MS/MS data were acquired by applying CID in the linear ion trap (q=0.25 and activation time of 30 msec) and m/z measurements in the FT-ICR. For MS/MS, precursor selection width of +/-2.0Da was used, a precursor m/z of 478 for MS/MS and m/z 322 for MS3 data and a normalised collision energy of 35%. The FT-ICR was operated at the resolving power of 100,000. The expected mass accuracy for this instrument is <3ppm. A significant negative bias for the isotopic distribution is present in the data.