TABLE III

Twenty-Five Extractables Selected from the Nelson Dataset to Illustrate How Multiple Analytical Methods Improve Coverage by Increasing the Quantity of Compounds Covered and the Quality of the Coverage. As the First Five Compounds Listed Have No GC/MS Response but Produce a Response by One of the LC/MS Methods, the Combined Strategy of GC/MS and LC/MS Increases the % Coverage from 80% (GC/MS Alone) to 100%. Because the Next Three Listed Compounds Have LC/MS Responses That Are Better than the GC/MS Responses, the Combined Strategy of GC/MS and LC/MS Increases the Quality of Coverage (Lower %RSD and Thus Lower UF) versus GC/MS Alone

Extractable		RRF Value
Name	Cas RN	GC/MS	LC/MS-APCI	LC/MS-ESI	Optimal, Closest to 1
Monoethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate	66165-37-5	0	0.722	1.089	1.089
1,3-Distearin	504-40-5	0	1.07	0.004	1.07
9,10-Dihydroxystearic acid	120-87-6	0	0.054	0.616	0.616
PBT Trimer	63440-94-8	0	0.414	0.0013	0.414
Agidol 110	26347-98-8	0	0.486	0.555	0.555
Mono(2-ethylhexyl) phthalate	4376-20-9	0.031	0.295	0.924	0.924
10-Oxostearic acid	4158-12-7	0.124	0.853	0.293	0.853
Pentanedioic acid	110-94-1	0.149	0	0.16	0.16
2-Hydroxyethyl N-butylcarbamate	13105-54-9	0.179	0.099	0.424	0.424
5-Methyl-2-nitrophenol	700-38-9	0.267	0.012	0.009	0.267
1,2-Decanediol	1119-86-4	0.296	0	0	0.296
3,3',5,5'-Tetrabromobisphenol A	79-94-7	0.362	0.141	0.052	0.362
N-(2-Hydroxyethyl)-10-undecenamide	20545-92-0	0.415	0.37	0.912	0.912
3-Methylcyclohexanol	591-23-1	0.451	0	0	0.451
Myristoleic acid	544-64-9	0.455	0.055	0.007	0.455
Propyl paraben	94-13-3	0.455	0.109	2.191	0.455
2-Oxepanone	502-44-3	0.456	0.046	0.44	0.456
2-Chloroacetophenone	532-27-4	0.512	0.003	0.006	0.512
1-Octanol	111-87-5	0.520	0	0	0.520
Camphene Isomer I	79-92-5	0.631	0	0	0.631
Ziram	137-30-4	0.634	0.009	0	0.634
Tinuvin 320	3846-71-7	0.795	1.471	0	0.795
delta-Tridecanolactone	7370-92-5	0.864	0.211	0.286	0.864
Methyl 10-oxostearate	870-10-0	0.908	1.029	0.14	1.029
n-Hexadecyl myristate	2599-01-1	0.929	0.009	0.02	0.929
Statistics
N		25	—	—	25
Mean		0.3773	—	—	0.6269
STDEV		0.3026	—	—	0.2686
%RSD		80.2	—	—	42.8
Low		0	—	—	0.16
High		0.929	—	—	1.089
Median		0.4150	—	—	0.5550
% Coverage		80%	—	—	100%

APCI, atmospheric pressure chemical ionization; ESI, electrospray ionization; GC/MS, gas chromatography/mass spectrometry; LC/MS, liquid chromatography/mass spectrometry; %RSD, percent relative standard deviation; STDEV, standard deviation; UF, uncertainty factor.