Table 1.

Ketone and quinone-sustituted polycyclic aromatic hydrocarbon (OPAH) properties and structures are provided for each analyte in the method. Quantition ion (Quant ion) for gas chromatography-mass spectrometry analysis is shown here. Qualifier ions can be found in the Supplemental Data. Analytes identified as Quantitative met quality control standards for accuracy and precision.

OPAH	Abbreviation	CAS No.	MW	Formula	Quant Ion	IDL (pg)	Structure	Type
9-Fluorenone	9-FLUO	486-25-9	180.2	C13H8O	180	0.5	file	Quantitative
Acenapthenequinone	ACYQ	82-86-0	182.2	C12H6O2	126	50	file	Semi-quantitative
9-Fluorenone-D8	na	137219-34-2	188.3	C13D8O	188.1	n/a	NA	Surrogate
4H-Cyclopenta[def]phenanthren-4-one	CP[def]PHEO	5737-13-3	204.2	C15H8O	204	1	file	Quantitative
9,10-Phenthrenequinone	9,10-PHEQ	84-11-7	208.2	C14H8O2	180	500	file	Semi-quantitative
9,10-Anthraquinone	9,10-ANTQ	84-65-1	208.2	C14H8O2	208	5	file	Quantitative
1,4-Anthraquinone	1,4-ANTQ	635-12-1	208.2	C14H8O2	208	50	file	Quantitative
Phenanthrene-1,4-dione	1,4-PHEQ	569-15-3	208.2	C14H8O2	216	50	file	Semi-quantitative
9,10-Anthraquinone-D8	NA	10439-39-1	216.3	C14D8O2	216.1	n/a	NA	Surrogate
Benzanthrone	BEZO	82-05-3	230.3	C17H10O	230	10	file	Quantitative
Benzofluorenone	BFLUO	479-79-8	230.3	C17H10O	230	0.5	file	Quantitative
Aceanthracenequinone	ACAQ	6373-11-1	232.2	C16H8O2	204	50	file	Semi-quantitative
Benzo[cd ]pyrenone	B[cd ]PYRO	3074-00-8	254.3	C19H10O	254	10	file	Quantitative
7,12-Benz[a ]anthracenquinone	7,12-Ba AQ	2498-66-0	258.3	C18H10O2	258	10	file	Quantitative
5,12-Naphthacenequinone	5,12-NAPQ	1090-13-7	258.3	C18H10O2	258	10	file	Quantitative
Benzo[c ]phenanthrene-[1,4]quinone	B[c]PHE1,4Q	109699-80-1	258.3	C18H10O2	258	100	file	Semi-quantitative

MW= molecular weight, Quant Ion = m/z ratio used for quantification, IDL= instrumental detection limit (peak to peak signal/noise >3), NA= not applicable