. Author manuscript; available in PMC: 2016 Oct 7.

Published in final edited form as: Analyst. 2015 Sep 2;140(19):6544–6552. doi: 10.1039/c5an01149c

Table 1.

4-hydroxy-2-alkylquinolines observed in 7-h P. aeruginosa biofilms

Compound ID	Molecular formula	[M+H]⁺ expected	[M+H]⁺ observed	In situ tandem MS fragments
Compound ID	Molecular formula	[M+H]⁺ expected	[M+H]⁺ observed	expected	observed
HHQ (2-heptyl-4-quinoline)	C₁₆H₂₁NO	244.17	244.17	159.07, 172.08	159.08, 172.09
PQS (2-heptyl-3-hydroxyquinolone)^*	C₁₆H₂₁NO₂	260.17	260.18	175.06, 188.07	175.08, 188.09
HQNO (4-hydroxy-2-heptylquinoline-N-oxide)	C₁₆H₂₁NO₂	260.17	260.18	159.07, 172.08, 186.09	159.08, 172.08, 186.10
C_9:1-NHQ (2-nonenyl-4-quinoline)	C₁₈H₂₃NO	270.19	270.20	159.07, 172.08, 184.07	159.07, 172.08, 184.08
NHQ (2-nonyl-4-quinoline)	C₁₈H₂₅NO	272.20	272.21	159.07, 172.08	159.07, 172.08
C_9:1-NQNO (4-hydroxy-2-nonenylquinoline-N-oxide)	C₁₈H₂₃NO₂	286.18	286.19	159.07, 172.08, 184.07, 198.07	159.07, 172.08, 184.08, 198.10
C₉-PQS (2-nonyl-hydroxyquinolone)^*	C₁₈H₂₅NO₂	288.20	288.21	175.06, 188.07	175.08, 188.09
C₉-NQNO (4-hydroxy-2-nonylquinoline-N-oxide)	C₁₈H₂₅NO₂	288.20	288.21	159.07, 172.08, 186.09	159.08, 172.08, 186.10
C_11:1-UHQ (2-undecenyl-4-quinoline)	C₂₀H₂₇NO	298.22	298.23	159.07, 172.08, 184.07	159.07, 172.08, 184.08

Low abundance/minor component of spectrum