Molecular analysis of volatile metabolites released specifically by staphylococcus aureus and pseudomonas aeruginosa

Filipiak, Wojciech; Sponring, Andreas; Baur, Maria Magdalena; Filipiak, Anna; Ager, Clemens; Wiesenhofer, Helmut; Nagl, Markus; Troppmair, Jakob; Amann, Anton

doi:10.1186/1471-2180-12-113

Table 3 A and B: Median concentrations of VOCs released (A) or taken up (B) by Pseudomonas aeruginosa

From: Molecular analysis of volatile metabolites released specifically by staphylococcus aureus and pseudomonas aeruginosa

Compound	CAS	m/z for SIM	M [ppbv]	1.5 (n = 3)	2.25 (n = 4)	3 (n = 4)	3.75 (n = 5)	4.5 (n = 5)	5.20 (n = 4)	6 (n = 6)	24 (n = 5)	26 (n = 4)	28 (n = 3)
A)
3-methyl-1-butanol	123-51-3	55, 70	<LOD	<LOD	<LOD	<LOD	<LOD	<LOD	<LOD	<LOD	*62.56*	*148.4*	*142.2*
ethanol*	64-17-5	-	102.1	*623.5*	*322.2*	*396.4*	*441.4*	*548.9*	*800.0*	*761.6*	203.1	*333.3*	*350.4*
2-butanol^#	78-92-2	45	0	0	0	0	0	0	0	0	0	*1.5E + 04*	*8.5E + 03*
2-nonanone	821-55-6	43, 56, 71	<LOD	*1.091*	*1.586*	*3.855*	*6.372*	*10.29*	*15.33*	*14.83*	*12.24*	*21.82*	*22.42*
2-pentanone	107-87-9	43, 86	<LOD	<LOD	<LOD	<LOD	<LOD	*0.526*	*0.910*	*0.901*	*12.91*	*19.30*	*17.94*
2-heptanone	110-43-0	43, 71	n.d.	<LOD	<LOD	<LOD	<LOD	<LOD	*0.286*	*0.259*	*2.700*	*4.789*	*3.622*
4-heptanone	123-19-3	43, 71	n.d.	n.d.	n.d.	n.d.	n.d.	<LOD	*0.422*	*0.496*	*1.000*	*2.079*	*1.088*
3-octanone*	106-68-3	-	n.d.	n.d.	n.d.	n.d.	n.d.	n.d.	n.d.	<LOD	*0.557*	*0.817*	<LOD
2-butanone*	78-93-3	-	10.08	*25.49*	*23.57*	15.89	17.90	17.11	*19.39*	14.65	30.39	*40.55*	*40.03*
methyl isobutyl ketone^#	108-10-1	85, 100	3.8E + 04	8.7E + 04	8.0E + 04	5.5E + 04	*7.9E + 04*	6.5E + 04	*7.6E + 04*	6.4E + 04	*2.3E + 05*	*3.8E + 05*	2.7E + 05
ethyl acetate	141-78-6	61	<LOD	*1.936*	1.123	*0.777*	*1.556*	*1.167*	*1.088*	*1.231*	*1.972*	*2.686*	*1.895*
methyl 2-methylbutyrate	868-57-5	56, 85	n.d.	n.d.	n.d.	n.d.	n.d.	n.d.	n.d.	n.d.	n.d.	*0.637*	*1.669*
methyl methacrylate*	80-62-6	-	24.81	*38.14*	*44.49*	32.28	*44.03*	*36.81*	*46.67*	*38.67*	47.72	54.17	48.13
ethyl 2-methylbutyrate^#	7452-79-1	57, 74, 85	0	0	0	0	0	0	0	0	*7.5E + 04*	*1.4E + 05*	*1.8E + 05*
2-methylbutyl isobutyrate^#	2445-69-4	55, 70	0	0	0	0	0	0	0	0	*5.2E + 05*	*1.2E + 06*	*1.3E + 06*
isoamyl butyrate^#	106-27-4	43, 71	0	0	0	0	0	0	0	0	*2.5E + 05*	*1.4E + 06*	*7.6E + 05*
2-methylbutyl 2-methylbutyrate^#	2445-78-5	57, 70, 85	0	0	0	0	0	0	0	0	*2.7E + 06*	*7.6E + 06*	*9.7E + 06*
amyl isovalerate^#	25415-62-7	57, 70, 85	0	0	0	0	0	0	0	0	*1.9E + 06*	*3.9E + 06*	*6.1E + 06*
dimethyl sulfide (DMS)	75-18-3	47, 62	<LOD	<LOD	<LOD	n.d.	<LOD	<LOD	<LOD	*1.295*	*99.54*	*143.0*	*173.6*
Dimethyl disulfide (DMDS)	624-92-0	94	0.580	1.817	1.042	0.663	0.605	0.538	0.600	0.597	*5.909*	*14.11*	*11.09*
dimethyl trisulfide (DMTS)	3658-80-8	126	<LOD	<LOD	<LOD	<LOD	<LOD	<LOD	<LOD	<LOD	*0.324*	*0.764*	*1.106*
methanethiol	74-93-1	47	33.03	45.55	47.77	21.86	21.31	18.22	25.25	24.64	*261.2*	*418.0*	*318.1*
mercaptoacetone^#	24653-75-6	90	0	0	0	0	0	0	0	0	*1.7E + 05*	*2.6E + 05*	*2.1E + 05*
2-methoxy-5-methylthiophene^#	31053-55-1	113	0	0	0	0	0	0	0	0	*1.1E + 06*	*2.0E + 06*	*1.6E + 06*
3-(ethylthio)-propanal^#	5454-45-5	62	0	0	0	0	0	0	0	0	*5.1E + 04*	*3.2E + 05*	*7.9E + 05*
1-undecene	821-95-4	41, 55, 69	0.337	*3.687*	*4.891*	*7.566*	*15.30*	*27.24*	*49.10*	*58.73*	*317.5*	*296.1*	*245.0*
2-methyl-2-butene	513-35-9	55, 70	<LOD	<LOD	<LOD	*0.138*	*0.221*	*0.324*	*0.492*	*0.651*	*0.524*	*0.512*	*0.406*
1,10-undecadiene	13688-67-0	41, 55, 69	<LOD	<LOD	<LOD	<LOD	<LOD	*0.516*	*0.838*	*0.993*	*6.813*	*6.349*	*4.515*
1-nonene	124-11-8	55, 70, 126	0.269	0.419	0.336	0.299	*0.370*	*0.419*	*0.541*	*0.588*	*2.613*	*3.401*	*2.623*
1-decene	872-05-9	55, 70	<LOD	<LOD	0.283	0.207	0.203	0.221	*0.289*	*0.325*	*1.178*	*1.213*	*0.910*
1-dodecene	112-41-4	57, 70, 85	1.861	4.596	3.341	2.211	3.221	2.017	3.148	*2.646*	*9.494*	*9.129*	*8.242*
butane	106-97-8	58	0.331	0.471	0.283	0.160	0.143	0.154	0.275	*0.184*	*0.673*	*1.482*	*1.400*
isoprene*	78-79-5	-	<LOD	*2.110*	*3.156*	*7.121*	*10.28*	*12.25*	*14.77*	*16.80*	*20.40*	*20.09*	*12.47*
10-methyl-1-undecene#	22370-55-4	57, 70, 85	0	0	0	0	0	0	0	0	*3.3E + 05*	*3.2E + 05*	*2.9E + 05*
pyrrole	109-97-7	41, 67	1.105	*29.62*	*48.16*	*49.66*	*39.84*	*20.50*	*22.59*	*13.12*	*15.55*	*21.01*	*17.50*
3-methylpyrrole*	616-43-3	-	<LOD	<LOD	<LOD	<LOD	<LOD	<LOD	*5.272*	*8.278*	*24.74*	*24.57*	*18.92*
1-vinyl aziridine^#	5628-99-9	41, 67	0	*2.3E + 07*	*2.8E + 07*	*2.1E + 07*	*1.1E + 07*	*4.8E + 06*	*3.5E + 06*	*1.1E + 06*	*5.0E + 04*	*4.6E + 05*	0
B)
butanedione	431-03-8	86	77.22	122.9	112.9	57.27	50.76	*24.49*	*22.30*	*9.568*	*5.131*	*7.535*	*8.746*
benzaldehyde	100-52-7	107	183.9	145.2	102.2	*26.50*	*13.11*	*9.944*	*9.434*	*7.024*	*5.698*	*7.082*	*8.538*
acetaldehyde	75-07-0	43	515.5	340.6	316.1	*65.15*	*47.75*	*53.22*	*87.89*	*87.14*	*30.84*	*42.56*	*22.97*
methacroleian	78-85-3	70	3.291	4.175	3.237	*0.922*	*0.502*	*0.209*	*0.187*	*<LOD*	*<LOD*	*<LOD*	*<LOD*
3-methylbutanal*	590-86-3	-	419.6	832.1	620.1	*191.3*	*126.8*	*45.23*	*37.63*	*14.52*	*24.89*	*57.25*	*41.17*
nonanal	124-19-6	43, 58, 71	13.44	9.317	8.969	*6.332*	*7.285*	*7.379*	7.397	*6.608*	*4.122*	6.176	*6.222*
propanal	123-38-6	57	2.944	3.382	2.222	*0.958*	*1.132*	*0.967*	1.112	*0.863*	*<LOD*	*<LOD*	*<LOD*
3-methyl-2-butenal	107-86-8	55, 84	1.266	1.578	1.617	0.953	0.856	0.641	*0.515*	*<LOD*	*<LOD*	*<LOD*	*n.d.*
acrolein	107-02-8	56	9.951	7.257	11.23	9.622	6.918	7.082	9.965	7.432	*4.036*	*3.915*	*3.628*
butanal*	123-72-8	-	24.35	22.71	11.00	*1.305*	*<LOD*	*1.129*	*1.837*	*2.259*	*<LOD*	*<LOD*	*<LOD*
2-methylpropanal*	78-84-2	-	181.9	*273.3*	199.8	80.03	*28.30*	*11.41*	*7.520*	*4.378*	*4.057*	*6.026*	*4.851*
octanal*	124-13-0	-	5.424	4.226	4.282	3.410	*2.448*	*2.507*	3.011	*1.791*	*1.266*	1.950	*2.580*

Bold numbers indicate significant difference (Kruskal-Wallis test) between VOC concentrations in bacteria cultures and medium (m) headspace (p < 0.05). * TIC mode analysis with determined concentrations (ppb_v) and ^# SIM mode analysis semi-quantified by peak area, n=32 for medium control.

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