Table 1S. Glossary of abbreviations, acronyms, and statistical terms:
Chemicals are listed first at top and then all other items
# Item
Description
1 AA
Acetaldehyde
2 B
Benzene
3 BA
Butyraldehyde
4 BTA
Butyric acid
5 BuAc
n-Butyl acetate
6 IA
Isovaleraldehyde
7 i-BuAl
Isobutyl alcohol
8 IVA
Isovaleric acid
9 MEK
Methyl ethyl ketone
10 MIBK
Methyl isobutyl ketone
11 PA
Propionaldehyde
12 PPA
Propionic acid
13 S
Styrene
14 T
Toluene
15 VA
n-Valeraldehyde
16 VLA
n-Valeric acid
17 m-X
m-Xylene
18 o-X
o-Xylene
19 p-X
p-Xylene
20
21
22
23
24
25
26
27
28
29
30
31

33
34
35
36
37
38
39
40
41
42
43
AH
AL
BNZ
BTV
CAR-PDMS
CC
CG
CN
CNE
CT
CLASS
CV
D
DF
Had
HC
DI
ECN
EI
Fi
FID
GC
G-WS
HC
Aromatic hydrocarbon
Alcohol
Descriptor, benzene ring
Breakthrough volume
Carboxen-Polydimethylsiloxane
Carbonyl compound (aldehydes and ketones)
Carbonyl group (compounds containing a >C=O group, except VFAs)
Carbon number
Carbon number equivalent of a descriptor
Cold trap in TD unit
Compounds lacking authentic standards/surrogates
Coefficients of variation
Descriptor (a part of molecular structure)
Dilution factor (how much PS is diluted to give G-WS)
Heat of adsorption of analyte onto sorbent
Heat of combustion
Direct L-WS injection into ST
Effective carbon number
Electron impact (ionization)
Fraction of total EI ionization in TIC mass window m/z 35 – 260
Flame ionization detector
Gas chromatography
Gas working standard
Hydrocarbon
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
HS-SPME
ITMS
LT
L-WS
MS
MW
NIST
PLS
PS
QSPR
RF
RF*
RFc
RFCN
RFECN
RRF
SD
sr
ST
TBC
TD
Te
TIC
Vap
VFA
VOC
X
Headspace-Solid-phase microextraction
Ion trap mass spectrometer
Link tube (direct sample introduction into TD unit bypassing ST)
Liquid working standard
Mass spectrometry or Mass spectrometer
Molecular weight
National Institute of Standards and Technology
Partial least squares
Primary standard
Quantitative-structure-property relationship
Response factor (mass)
Response factor (molar)
Corrected experimental RF value for TIC Fi (RFc = RF/Fi)
RF value calculated using CN approach
RF value calculated using ECN approach
Relative RF normalized to benzene’s RF value (RRF= RF/RFB)
Standard deviation
Relative EI ionization cross section with respect to N2
(Sampling) Sorbent tube
Sorbent bed comprising of Tenax TA, Carbopack B, and Carboxen 1000
Thermal desorption unit (containing CT)
Sorbent bed comprising of Tenax TA
Total ion chromatogram (m/z 35 – 260 mass window)
Prior L-WS vaporization in heated tube before ST
Volatile fatty acid
Volatile organic compound
Sorbent bed comprising of Carbopack X