Non-target screening of organic pollutants and target analysis of halogenated polycyclic aromatic hydrocarbons in the atmosphere around metallurgical plants by high-resolution GC/Q-TOF-MS

Yang, Lili; Wu, Jiajia; Zheng, Minghui; Cao, Zhe; Li, Cui; Shi, Miwei; Liu, Guorui

doi:10.1186/s12302-020-00376-9

Environmental Sciences Europe

Table 1 Aromatic hydrocarbons in air samples screened by gas chromatography quadrupole time-of-flight mass spectrometry

From: Non-target screening of organic pollutants and target analysis of halogenated polycyclic aromatic hydrocarbons in the atmosphere around metallurgical plants by high-resolution GC/Q-TOF-MS

No.	Retention time	Name	Match factor	Formula	Area	No.	Retention time	Name	Match factor	Formula	Area
	8.565	Naphthalene-D₈(standard)	91.3	C₁₀D₈	141,601	73	36.878	Benzo[b]fluorene	81.8	C₁₇H₁₂	335,917
1	8.611	Naphthalene	96.1	C₁₀H₈	239,308	74	36.954	Isopropyl-methylphenanthrene	84.0	C₁₈H₁₈	801,787
2	10.065	Acenaphthylene	73.0	C₁₂H₈	205,121	75	37.061	Benzo[b]fluorene	94.0	C₁₇H₁₂	867,951
3	10.156	Naphthalene, methyl-	91.8	C₁₁H₁₀	154,350	76	37.391	Benzo[b]fluorene	75.4	C₁₇H₁₂	4944
4	10.434	Naphthalene, methyl-	88.7	C₁₁H₁₀	105,858	77	37.635	Ethyl-methylanthracene	72.1	C₁₇H₁₆	142,691
5	11.524	Biphenyl	92.5	C₁₂H₁₀	126,399	78	37.667	Benzo[b]fluorene	95.7	C₁₇H₁₂	787,979
6	11.874	Diphenyl ether	78.2	C₁₂H₁₀O	54,297	79	37.895	Pyrene, methyl-	95.0	C₁₇H₁₂	373,719
7	12.103	Naphthalene, dimethyl-	75.2	C₁₂H₁₂	122,059	80	38.066	Phenanthro[b]pyran	90.0	C₁₇H₁₂O	509,329
8	12.499	Naphthalene, dimethyl-	84.8	C₁₂H₁₂	111,953	81	38.133	Butanal, [(tetrahydro-pyran-yl)oxy]-	72.5	C₉H₁₆O₃	10,978
9	12.533	Dimethyl phthalate	89.6	C₁₀H₁₀O₄	238,035	82	38.248	Benzene, methyl-[(propylphenyl)ethynyl]-	65.7	C₁₈H₁₈	156,776
10	12.642	Naphthalene, ethenyl-	74.5	C₁₂H₁₀	5510	83	38.685	Pyrene, methyl-	82.4	C₁₇H₁₂	39,736
11	12.853	Naphthalene, dimethyl-	83.5	C₁₂H₁₂	77,767	84	38.961	Pyrene, methyl-	94.2	C₁₇H₁₂	455,096
12	13.215	Acenaphthylene	94.9	C₁₂H₈	364,045	85	39.290	Azulene, dimethyl-phenyl-	67.3	C₁₈H₁₆	161,426
13	13.704	Biphenyl, methyl-	86.5	C₁₃H₁₂	92,301	86	39.490	Phenanthro[b]pyran	67.9	C₁₇H₁₂O	233,150
	13.812	Acenaphthene-D₁₀(standard)	91.2	C₁₂D₁₀	369,692	87	40.152	Isopropyl-methylphenanthrene	66.0	C₁₈H₁₈	50,960
14	13.956	Isopropenylnaphthalene	66.1	C₁₃H₁₂	116,949	88	41.002	Pyrene, dimethyl-	68.4	C₁₈H₁₄	199,615
15	14.750	Dibenzofuran	86.4	C₁₂H₈O	360,672	89	41.528	Pyrene, dimethyl-	68.6	C₁₈H₁₄	266,527
16	14.938	Naphthalene, trimethyl-	89.7	C₁₃H₁₄	85,943	90	42.133	Isopropyl-dimethylphenanthrene	75.4	C₁₉H₂₀	194,982
17	15.325	Naphthalene, trimethyl-	78.9	C₁₃H₁₄	99,806	91	42.163	Hexanedioic acid, bis(ethylhexyl) ester	87.5	C₂₂H₄₂O₄	1,601,379
18	15.463	Naphthalene, trimethyl-	86.3	C₁₃H₁₄	68,935	92	42.227	Pyrene, dimethyl-	74.2	C₁₈H₁₄	13,573
19	15.883	Diethyl Phthalate	89.7	C₁₂H₁₄O₄	405,710	93	42.903	Cyclopenta(cd)pyrene, dihydro-	81.0	C₁₈H₁₂	904,262
20	16.517	Phenalene	78.4	C₁₃H₁₀	578,874	94	43.149	Cyclopenta[cd]pyrene	81.7	C₁₈H₁₀	122,621
21	16.992	Methanesulfonic acid, tetrahydrocyclohepta[de]naphthalen-8-yl ester	66.5	C₁₅H₁₆O₃S	75,251	95	43.189	Bicyclohex-en-one, diphenyl-	66.3	C₁₈H₁₄O	12,258
22	17.433	Xanthene and isomers	90.9	C₁₃H₁₀O	180,355	96	43.817	Naphthalene, (methyl-phenylethenyl)-	65.2	C₁₉H₁₆	88,147
23	17.892	Xanthene and isomers	92.3	C₁₃H₁₀O	253,558	97	44.058	Cyclohexane, triphenyl-	83.5	C₂₄H₂₄	388,473
24	18.184	Xanthene and isomers	77.0	C₁₃H₁₀O	90,325	98	44.623	Cyclopenta[cd]pyrene	90.4	C₁₈H₁₀	737,656
25	19.369	Tetramethylnaphthalene	66.8	C₁₄H₁₆	58,051	99	44.800	Triphenylene	94.1	C₁₈H₁₂	122,980
26	19.525	Methyl pentyl phthalate	95.3	C₁₄H₁₈O₄	412,765	100	44.973	Benzo[c]phenanthrene	87.2	C₁₈H₁₂	28,579
27	19.949	Methanone, (methylphenyl)phenyl-	66.9	C₁₄H₁₂O	68,883	101	45.088	Triphenylene	96.6	C₁₈H₁₂	1,436,278
28	20.023	Fluorene, methyl-	91.9	C₁₄H₁₂	159,814	102	45.481	Benzo[b: b’]bisbenzofuran	84.1	C₁₈H₁₀O₂	171,996
29	20.384	Fluorene, methyl-	80.0	C₁₄H₁₂	174,927	103	46.468	Bis(ethylhexyl) phthalate	72.2	C₂₄H₃₈O₄	111,193
30	20.777	Naphthofuran, dimethyl-	66.4	C₁₄H₁₂O	163,081	104	46.477	Phthalic acid, di(hex-yl) ester	80.2	C₂₀H₃₀O₄	1,969,873
31	21.520	Phenol, (phenylethenyl)-, (E)-	69.6	C₁₄H₁₂O	139,556	105	46.724	Naphtho[klmn]xanthene	80.0	C₁₈H₁₀O	197,331
32	21.722	Dibenzothiophene	68.2	C₁₂H₈S	129,680	106	47.679	Tribenzo[a,c,e]cycloheptene	81.0	C₁₉H₁₄	116,789
	22.448	Phenanthrene-D₁₀(standard)	76.5	C₁₄D₁₀	247,131	107	47.958	Chrysene, methyl-	67.2	C₁₉H₁₄	26,160
33	22.616	Diphenylacetylene	95.3	C₁₄H₁₀	2,571,463	108	48.110	Tribenzo[a,c,e]cycloheptene	80.3	C₁₉H₁₄	171,678
34	23.001	Fluorene, methylene-	94.2	C₁₄H₁₀	354,107	109	48.195	Chrysene, methyl-	81.5	C₁₉H₁₄	51,069
35	23.721	Acetyl-trimethylhydroquinone	68.5	C₁₁H₁₄O₃	73,506	110	48.431	Tribenzo[a,c,e]cycloheptene	92.0	C₁₉H₁₄	346,092
36	23.793	Acetyl-trimethylhydroquinone	68.1	C₁₁H₁₄O₃	50,813	111	48.752	Cyclopenta[a]pyrene	85.4	C₁₉H₁₂	250,792
37	24.255	Carbazole	88.1	C₁₂H₉N	277,626	112	48.958	Cyclopenta[a]pyrene	80.9	C₁₉H₁₂	232,886
38	24.355	Benzenedicarboxylic acid, bis(methylpropyl) ester	94.9	C₁₆H₂₂O₄	2,801,977	113	49.054	Binaphthalene	82.2	C₂₀H₁₄	185,894
39	24.868	Indene, phenylmethylene-	89.8	C₁₆H₁₂	85,131	114	49.097	Benz[a]anthracene, methyl-	73.5	C₁₉H₁₄	197,814
40	25.966	Phthalic acid, butyl isoporpyl ester	76.6	C₁₅H₂₀O₄	96,433	115	49.123	Cyclopenta[a]pyrene	84.3	C₁₉H₁₂	238,148
41	26.331	Indene, phenyl-	92.6	C₁₅H₁₂	340,666	116	49.514	Binaphthalene	83.5	C₂₀H₁₄	121,290
42	26.540	Phenanthrene, methyl-	94.1	C₁₅H₁₂	506,636	117	49.835	Phenanthrene, phenyl-	85.6	C₂₀H₁₄	169,928
43	26.905	Indene, phenyl-	89.7	C₁₅H₁₂	161,893	118	50.664	Benzenoanthracene, dihydro-	73.7	C₂₀H₁₄	15,568
44	27.109	Cyclobuta[jk]phenanthrene	90.5	C₁₅H₁₀	407,602	119	51.042	Benz[a]anthracene, dimethyl-	68.2	C₂₀H₁₆	19,493
45	27.138	Anthracene, methyl-	74.4	C₁₅H₁₂	18,604	120	51.253	Benz[a]anthracene, dimethyl-	78.0	C₂₀H₁₆	178,610
46	27.352	Phenanthrene, methyl-	93.0	C₁₅H₁₂	357,052	121	51.342	Benzenedicarboxylic acid, bis(ethylhexyl) ester	92.0	C₂₄H₃₈O₄	1,465,392
47	27.624	Dibutyl phthalate	94.7	C₁₆H₂₂O₄	2,996,424	122	52.368	Benzo[a]pyrene	79.6	C₂₀H₁₂	97,032
48	28.863	Indene, phenylmethylene-	91.2	C₁₆H₁₂	375,666	123	52.528	Benzo[e]pyrene	95.2	C₂₀H₁₂	574,992
49	30.091	Phenanthrene, dimethyl-	82.1	C₁₆H₁₄	108,908	124	52.922	Benzo[e]pyrene	94.2	C₂₀H₁₂	329,204
50	30.311	Phenanthrene, dimethyl-	71.4	C₁₆H₁₄	128,812	125	53.491	Dinaphtho[b: d]furan	77.5	C₂₀H₁₂O	161,256
51	31.123	Naphthalene, phenyl-	70.2	C₁₆H₁₂	263,619	126	53.584	Dinaphtho[b: d]furan	88.8	C₂₀H₁₂O	322,065
52	31.373	Phenanthrene, ethyl-	75.9	C₁₆H₁₄	43,955	127	53.856	Benzo[e]pyrene	93.8	C₂₀H₁₂	880,538
53	31.618	Pyrene, tetrahydro-	71.0	C₁₆H₁₄	330,800	128	53.906	Dinaphtho[b: d]furan	79.8	C₂₀H₁₂O	226,719
54	32.081	Fluoranthene	93.5	C₁₆H₁₀	2,476,032	129	54.136	Perylene	93.7	C₂₀H₁₂	959,816
55	32.241	Phenanthrene, dimethyl-	80.8	C₁₆H₁₄	24,320	130	54.499	Dinaphtho[b: d]furan	72.0	C₂₀H₁₂O	15,144
56	32.550	Naphthalene, phenylmethyl-	76.8	C₁₇H₁₄	137,771	131	54.605	Benzo[a]pyrene	88.7	C₂₀H₁₂	254,272
57	32.878	Fluoranthene	92.6	C₁₆H₁₀	566,651	132	55.341	Terphenyl, phenyl-	85.0	C₂₄H₁₈	127,870
58	33.140	Naphthalene, phenylmethyl-	79.8	C₁₇H₁₄	59,763	133	55.557	Indeno[b]phenanthrene	74.4	C₂₁H₁₄	279,212
59	33.519	Fluoranthene	73.9	C₁₆H₁₀	113,988	134	56.189	Alpha.H-Trisnorhopane	71.8	C₂₇H₄₆	447,400
60	33.947	Fluoranthene	93.4	C₁₆H₁₀	2,015,556	135	57.038	Oxo-phenyl-(hydroxyphenyl) -dihydropyrimidine	75.0	C₁₆H₁₂N₂O₂	237,254
61	34.015	Benzo[b]naphtho[d]furan	89.8	C₁₆H₁₀O	505,271	136	57.722	Oxo-phenyl- (hydroxyphenyl)- dihydropyrimidine	70.4	C₁₆H₁₂N₂O₂	102,004
62	34.082	Diacetyldiphenylmethane	68.0	C₁₇H₁₆O₂	78,418	137	59.799	Benzo[ghi]perylene	65.6	C₂₂H₁₂	169,077
63	34.580	Benzo[kl]xanthene	87.0	C₁₆H₁₀O	397,033	138	60.185	Beta.-iso-Methyl ionone	73.8	C₁₄H₂₂O	491,043
64	34.771	Pentadiyn-one, bis(methylphenyl)-	65.6	C₁₉H₁₄O	207,966	139	60.457	Benzo[ghi]perylene	90.3	C₂₂H₁₂	376,094
65	34.902	Ethyl-methylanthracene	76.7	C₁₇H₁₆	332,863	140	61.129	Benzo[ghi]perylene	91.1	C₂₂H₁₂	933,981
66	35.217	Benzo[b]naphtho[d]furan	91.0	C₁₆H₁₀O	497,015	141	61.357	Pentacene	80.0	C₂₂H₁₄	277,114
67	35.406	Ethyl-methylanthracene	77.4	C₁₇H₁₆	98,062	142	62.064	Pentacene	83.1	C₂₂H₁₄	155,782
68	35.902	Benzo[kl]xanthene	86.3	C₁₆H₁₀O	256,306	143	62.314	Dibenz[a,j]anthracene	70.3	C₂₂H₁₄	13,213
69	36.160	Benzanthrene	78.0	C₁₇H₁₂	308,803	144	63.013	Benzo[ghi]perylene	86.5	C₂₂H₁₂	982,552
70	36.224	Propanedioic acid, (dihydro-methyl-phenyl-naphthalenyl)-, dimethyl ester	75.0	C₂₂H₂₂O₄	143,602	145	64.809	Benzo[ghi]perylene, methyl-	74.8	C₂₃H₁₄	80,372
71	36.436	Phenanthrene, trimethyl-	78.1	C₁₇H₁₆	131,081	146	66.526	Benzo[ghi]perylene, methyl-	84.7	C₂₃H₁₄	134,744
72	36.805	Benzo[b]fluorene	82.6	C₁₇H₁₂	135,890

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