GNPS - CMMC_bile_acid_amino_acid_conjugates

MS/MS fragmentation data of 23 different bile acid steroid core conjugated with amino acids acquired on Q Exactive (positive ionization mode)-with chromatographic separation on a Phenomenex polar C18 column. The data for each reaction mixture is acquired on stepped collision energy and at only NCE 45.

本数据集包含23种与氨基酸结合的胆汁酸类固醇母核的串联质谱（MS/MS）碎裂数据，所有数据均在Q Exactive质谱仪上以正离子电离模式采集，并采用Phenomenex极性C18色谱柱完成色谱分离。针对每份反应混合液的数据采集，均采用阶梯式碰撞能量模式，且仅将归一化碰撞能量（Normalized Collision Energy，NCE）设为45。