. Author manuscript; available in PMC: 2014 Nov 18.

Published in final edited form as: Surf Interface Anal. 2009 Feb;41(2):127–135. doi: 10.1002/sia.2969

Table 1.

Structural assignments for ions with the largest regression coefficients in the PLS model containing all 496 polymers

m/z	Positive regression coefficient	Ion structure	m/z	Negative regression coefficient	Ion structure
15.996	21	O⁻	12.000	−22	C⁻
17.003	33	OH⁻	13.008	−82	CH⁻
22.991	34	Na⁺	15.023	−22	CH₃⁺
30.010	19	CH₂O⁺	27.023	−17	C₂H₃⁺
31.019	32	CH₃O⁺	39.023	−38	C₃H₃⁺
34.992	53	Cl⁻	41.039	−31	C₃H₅⁺
45.034	41	C₂H₅O⁺	43.056	−8	C₃H₇⁺
57.033	13	C₃H₅O⁺	53.038	−14	C₄H₅⁺
69.033	51	C₄H₅O⁺	55.055	−10	C₄H₇⁺
42.031	5	C₂H₄N⁺	57.071	−18	C₄H₉⁺
42.011	8	C₂H₂O⁺	67.050	−14	C₅H₇⁺
43.019	12	C₂H₃O⁺	147.071	−15	Si₂C₅H₁₅O⁺