Met Molecular ion Formula Neutral Mass m/z Charge ppm R.T. (min) Peak Area Area (%) Score (%) Experiment
ID
Parent - B1a [M+NH4]+ C48H74O14 874.5083 892.5421 1 0.5 13.94 1.03E+07 64.8 93.7 HLM
Parent - B1b [M+NH4]+ C47H72O14 860.492 878.5258 1 -0.3 13.03 1.33E+05 3.5 90 HLM
M1 Loss of CH2 [M+NH4]+ C47H72O14 860.4922 878.526 1 0 12.58 6.07E+05 3.8 86.6 HLM, PHH, Blood
M2 Loss of C7H12O3 [M+NH4]+ C41H62O11 730.4283 748.4621 1 -1.2 12.33 2.76E+04 0.2 81.7 HLM
M3 Oxidation [M+NH4]+ C48H74O15 890.5033 908.5371 1 0.6 11.67 9.03E+05 5.7 78.9 HLM, PHH, Blood
M4 Ketone Formation [M+NH4]+ C48H72O15 888.4862 906.5201 1 -1 11.17 6.42E+04 0.4 69.7 HLM
M5 Oxidation [M+NH4]+ C48H74O15 890.503 908.5368 1 0.2 10.72 2.96E+05 1.9 68.7 HLM, PHH
M6 Demethylation and Oxidation [M+NH4]+ C47H72O15 876.4868 894.5206 1 -0.4 10.48 1.63E+05 1 76.5 HLM, PHH, Blood
M7 Demethylation and Methylene to Ketone [M+NH4]+ C47H70O15 874.4708 892.5046 1 -0.8 10.15 2.20E+04 0.1 67 HLM
M8 Demethylation to Carboxylic Acid [M+NH4]+ C48H72O16 904.4808 922.5146 1 -1.3 9.92 1.81E+04 0.1 66.7 HLM
M9 Demethylation and Oxidation [M+NH4]+ C47H72O15 876.487 894.5208 1 -0.2 9.69 9.56E+04 0.6 71.7 HLM
M10 Demethylation to Carboxylic Acid [M+NH4]+ C48H72O16 904.4819 922.5157 1 -0.1 9.57 1.34E+04 0.1 66.7 HLM
M11 Loss of C7H12O3+Oxidation [M+NH4]+ C41H62O12 746.4225 764.4563 1 -2.2 9.48 1.36E+04 0.1 67.3 HLM
M12 Di-Oxidation [M+NH4]+ C48H74O16 906.4976 924.5314 1 -0.1 9.22 4.89E+04 0.3 68.4 HLM
M13 Oxidation [M+NH4]+ C48H74O15 890.5027 908.5365 1 -0.1 8.4 2.86E+04 0.2 73.7 HLM