. Author manuscript; available in PMC: 2013 Mar 26.

Published in final edited form as: Environ Sci Technol. 2012 Dec 3;46(24):13494–13503. doi: 10.1021/es303209g

Table 1.

Full scan mass spectra obtained using the ChroTools function within MassLynx™ software (Waters) to locate putative metabolites by their [M-H]^- brominated cluster. The ions represent possible Phase I rat metabolites of α- and/or γ-[¹⁴C]HBCD and include all ions present in the putative brominated M-H cluster.

Masses	Interpretation
78.9 + 80.9	Br
554.6 + 556.6 + 558.6 + 560.6 + 562.6 + 564.6	PBCDe
556.6 + 558.6 + 560.6 + 562.6 + 564.6 + 566.6	PBCD
570.6 + 572.6 + 574.6 + 576.6 + 578.6 + 580.6	OH-PBCDe
572.6 + 574.6 + 576.6 + 578.6 + 580.6 + 582.6	OH-PBCD
586.6 + 588.6 + 590.6 + 592.6 + 594.6 + 596.6	diOH-PBCDe
588.6 + 590.6 + 592.6 + 594.6 + 596.6 + 598.6	diOH-PBCD
634.6 + 636.6 + 638.6 + 640.6 + 642.6 + 644.6 + 646.6	HBCD
650.6 + 652.6 + 654.6 + 656.6 + 658.6 + 660.6 + 662.6	OH-HBCD
668.6 + 670.6 + 672.6 + 674.6 + 676.6 + 678.6 + 680.6	diOH-HBCD