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
min
33.5 para-Hydrozy AT575440466573413
50.4Unsaturated hydroxy AT573438—5-c —5-d —5-d
63.4Unsaturated hydroxy AT573438—5-c —5-d —5-d
63.6 ortho-Hydroxy AT575440466573413
68.5Unsaturated AT557438—5-c 555395
70.0AT559440466557397
83.5β-Oxidized dihydroxy AT531396—5-c 529429
86.4Unsaturated β-oxidized hydroxy AT513378—5-c 511411
87.1Unsaturated β oxidized AT497378404495395
87.7β-Oxidized hydroxy AT515380406513413
89.9β-Oxidized AT499380—5-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.