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. Author manuscript; available in PMC: 2017 Sep 1.
Published in final edited form as: Int J Ion Mobil Spectrom. 2016 Apr 21;19(2):69–76. doi: 10.1007/s12127-016-0198-z

Table 1.

Experimental and theoretical CCSs for of 2′-OH-BDE-68, 6-OH-BDE-47, 3-OH-BDE-47, 5-OH-BDE-47 and 4′-OH-BDE-4 isomers.

[M-H]− m/z Experimental Theoretical
TIMS (Å2) TM (Å2)
2′-OH-BDE-68 500.7834 194.5 192
6-OH-BDE-47 500.7834 194.7 186
3-OH-BDE-47 500.7834 196.0 188
5-OH-BDE-47 500.7834 196.6 190
4′-OH-BDE-49 500.7834 197.3 193