Extended Data Fig. 1: The LC-MS/MS spectra of the acylated cholic acid derivates.
From: Gut commensal Christensenella minuta modulates host metabolism via acylated secondary bile acids
a, The m/z size of characteristic product ion and the collision-induced dissociation (CID) energy was illustrated in the panels. b, Extracted ion chromatogram of four new BA compounds (marked as 1, 2, 3, 4 in the panel) produced by C. minuta cells during in-vitro transformation (CM culture) and the retention time alignments with standards of 3’-Acetylcholic acid (Ac-CA, m/z -H: 449.2909), 3’-Propionylcholic acid (Prp-CA, m/z -H: 463.3065), 3’-Butyrylcholic acid (Buty-CA, m/z -H: 477.3222) and 3’-Valerylcholic acid (Val-CA, m/z -H: 491.3378), which were determined by nuclear magnetic resonance (See Supplementary Information Data for more information about NMR analysis). c, Comparison of high-resolution primary mass spectra of four new BAs in C. minuta culture with standards. The formula, calculated mass, measured accurate mass of the standard and culture sample, the mass error in ppm and MS/MS fragmentation similarity score for each new BA were listed in the Supplementary information Table 2.
