Table 5

Atmospheric pressure chemical ionization mass spectra of mouse fecal metabolites

Retention TimeMetaboliteParent Ion [M+H]+Loss of Benzlamine5-aParent Ion [M−H]Side Chain Loss5-b
33.5 para-Hydrozy AT575440466573413
50.4Unsaturated hydroxy AT5734385-c 5-d 5-d
63.4Unsaturated hydroxy AT5734385-c 5-d 5-d
63.6 ortho-Hydroxy AT575440466573413
68.5Unsaturated AT5574385-c 555395
83.5β-Oxidized dihydroxy AT5313965-c 529429
86.4Unsaturated β-oxidized hydroxy AT5133785-c 511411
87.1Unsaturated β oxidized AT497378404495395
87.7β-Oxidized hydroxy AT515380406513413
89.9β-Oxidized AT4993805-c 497397
  • 5-a Major fragmentation process of protonated molecular ions; amide bond cleavage.

  • 5-b Major fragmentation process of deprontonated molecular ions; loss of heptanoic or pentanoic acid side chain.

  • 5-c Not detected; minor fragmentation pathway.

  • 5-d Not detected; minor metabolite.