Gas (G) and particle (P) species from the namelists. SMILES link to representative structures in the EPA Chemicals Dashboard (if available).

Note that for each particulate species in CMAQ, a letter will be appended to the name to designate the size, or mode, of the aerosol being represented: I = Aitken mode, J = Accumulation mode, K = Coarse mode. Prepending of a species with a V or A in CMAQ or the chemical mechanism files indicates the species resides in the gas or particulate phase.

Species

Description

Phase

Molecular Weight (g/mol)

Explicit/ Lumped

Representative Structure

SMILES

AAL

Aluminum ion

P

27.0

E

Aluminum ion

[Al+3]

ACA

Calcium ion

P

40.1

E

Calcium ion

[Ca++]

ACD

Acetaldehyde

G

44.0

E

Acetaldehyde

CC=O

ACE

Acetylene

G

26.0

E

Acetylene

C#C

ACL

Chloride ion

P

35.5

E

Chloride ion

[Cl-]

ACO3

Acetyl peroxy radicals

G

75.0

E

Acetylperoxy

CC(=O)O[O]

ACORS

Primary unspeciated coarse PM

P

100.0

L

Coarse PM

ACRO

Acrolein

G

56.1

E

Acrolein

C=CC=O

ACT

Acetone

G

58.0

E

Acetone

CC(C)=O

ACTP

Peroxy radicals formed from ACT

G

89.0

E

(2-oxopropyl)peroxy

CC(=O)CO[O]

ADCN

Aromatic-NO3 adduct from PHEN

G

155.0

L

4-oxocyclohex-2-en-1-yl nitrate

OC1=C[C]C(O[N+]([O-])=O)C=C1

ADDC

Aromatic-HO adduct from CSL

G

125.0

L

3-methyl-5-oxocyclohex-3-en-1-yloxidanyl

CC1=CC(O)=CC([O])C1

AEC

Elemental carbon

P

12.0

L

Carbon

[C]

AFE

Iron ion

P

55.8

E

Iron ion

[Fe++]

AGLY

SOA from reactive uptake of glyoxal on particles

P

66.4

L

2-(4,5-dihydroxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol

OC2OC(C1OC(O)C(O)O1)OC2O

AH2O

Water associated with particulate inorganic compounds

P

18.0

E

Water

O

AH3OP

Hydronium ion tracer

P

19.0

E

Hydronium ion

[OH3+]

AISO3NOS

Non-sulfated SOA from IEPOX uptake

P

136.2

L

2-methylbutane-1,2,3,4-tetrol

C(O)C(O)(C)C(O)CO

AISO3OS

Organosulfate SOA from IEPOX uptake

P

216.2

L

(1,3,4-trihydroxy-2-methylbutan-2-yl)oxysulfonic acid

C(O)C(OS(O)(=O)(=O))(C)C(O)CO

AISO4

Multifunctional product from heterogeneous uptake of IPX

P

168.1

L

4-hydroperoxy-3-methylbutane-1,1,2,3-tetrol

CC(O)(COO)C(O)C(O)O

AISO5

Multifunctional product from heterogeneous uptake of INALD

P

150.1

L

2-hydroperoxy-3,4-dihydroxy-3-methylbutanal

CC(O)(CO)C(OO)C=O

AK

Potassium ion

P

39.1

E

Potassium ion

[K+]

ALD

C3 and higher aldehydes

G

58.0

L

Propanal

CCC=O

AMG

Magnesium ion

P

24.3

E

Magnesium ion

[Mg++]

AMN

Manganese ion

P

54.9

L

Manganese ions

[Mn++]

ANA

Sodium ion

P

23.0

E

Sodium ion

[Na+]

ANH4

Ammonium ion

P

18.0

E

Ammonium ion

[NH4+]

ANO3

Nitrate ion

P

62.0

E

Nitrate ion

[N+](=O)([O-])[O-]

AORGC

SOA from cloud processing of GLY and MGLY

P

177.0

L

2-(4,5-dihydroxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol

OC2OC(C1OC(O)C(O)O1)OC2O

AORGH2O

Water associated with particulate organic compounds

P

18.0

E

Water

O

AOTHR

Primary unspeciated fine PM

P

200.0

L

Unspeciated PM

API

Alpha-pinenes and other cyclic terpenes with one double bond

G

136.4

L

alpha-pinene

CC1=CCC2CC1C2(C)C

APINP1

Peroxy radicals from API+NO3 that do not undergo autoxidation

G

230.0

L

[2,6,6-trimethyl-3-(nitrooxy)bicyclo[3.1.1]heptan-2-yl]peroxy

[O]OC1(C)C(ON(=O)=O)CC2CC1C2(C)C

APINP2

Peroxy radicals from API+NO3 that undergo autoxidation

G

230.0

L

[2,6,6-trimethyl-3-(nitrooxy)bicyclo[3.1.1]heptan-2-yl]peroxy

[O]OC1(C)C(ON(=O)=O)CC2CC1C2(C)C

APIP1

Peroxy radicals from API+OH that do not undergo autoxidation

G

185.0

L

{3-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-2-yl}peroxy

[O]OC1(C)C(O)CC2CC1C2(C)C

APIP2

Peroxy radicals from API+OH that undergo autoxidation

G

185.0

L

{3-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-2-yl}peroxy

[O]OC1(C)C(O)CC2CC1C2(C)C

APNCOM

Primary non-carbon organic matter (legacy)

P

220.0

L

Non-carbon organic matter

APOC

Primary organic carbon (legacy)

P

220.0

L

Organic carbon

ASEACAT

Sea spray cations

P

23.75

L

Coarse sea spray cations

ASI

Silicon

P

28.1

E

Total Silicon

[Si]

ASO4

Total sulfur IV as sulfate

P

96.0

L

Sulfate ion

[O-]S(=O)(=O)[O-]

ASOAT

An empirical SOA

P

200.0

L

3,4,5,6,7-Pentahydroxyheptan-2-one

CC(=O)C(C(C(C(CO)O)O)O)O

ASOIL

Lumped crustal species

P

100.0

L

Crustal species

ATI

Titanium

P

47.9

E

Total Titanium

[Ti]

BAL1

Peroxy radicals formed from BALD

G

123.0

L

(4-methylphenyl)peroxy

[O]OC1=CC=C(C)C=C1

BAL2

Peroxy radicals formed from BALD

G

109.0

L

phenylperoxy

[O]OC1=CC=CC=C1

BALD

Benzaldehyde and other aromatic aldehydes

G

106.0

L

Benzaldehyde

O=CC1=CC=CC=C1

BALP

Peroxy radicals formed from BALD

G

137.0

L

benzoylperoxy

O=C(O[O])C1=CC=CC=C1

BDE13

1,3-butadiene

G

54.1

E

1,3-Butadiene

C=CC=C

BDE13P

Peroxy radicals from BDE13

G

103.0

L

(1-hydroxybut-3-en-2-yl)peroxy

C=CC(O[O])CO

BEN

Benzene

G

78.11

E

Benzene

C1=CC=CC=C1

BENP

Peroxy radicals formed from benzene

G

159.12

L

{8-hydroxy-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy

[O]OC1C=CC2OOC1C2O

CHO

Phenoxy radical formed from CSL

G

139.0

L

4-hydroxy-3,5-dimethylcyclohexa-2,5-dien-1-yloxidanyl

[O]C1C=C(C)C(O)C(=C1)C

CO

Carbon monoxide

G

28.0

E

Carbon monoxide

[C-]#[O+]

CSL

Cresol and other hydroxy substituted aromatics

G

136.2

L

2-Phenylpropan-2-ol

CC(C)(O)C1=CC=CC=C1

DCB1

Unsaturated dicarbonyls

G

98.0

L

2-methylbut-2-enedial

O=CC=C(C)C=O

DCB2

Unsaturated dicarbonyls

G

112.1

L

2-methyl-4-oxopent-2-enal

O=CC(=CC(=O)C)C

DCB3

Unsaturated dicarbonyls

G

84.0

L

but-2-enedial

O=CC=CC=O

EBZ

Ethylbenzene

G

106.2

L

Ethylbenzene

CCC1=CC=CC=C1

EBZP

Peroxy radicals from EBZ

G

187.17

L

{5-ethyl-8-hydroxy-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy

[O]OC1C=CC2(CC)OOC1C2O

ECH4

Methane

G

16.0

E

Methane

C

ELHOM

Extremely-low volatility highly oxygenated molecules from terpenes

GP

402.0

L

6-hydroperoxy-7-({3-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-2-yl}peroxy)-3,3,6-trimethyl-tetrahydro-3aH-1,2-benzodioxol-5-ol

OC1CC2C(OOC2(C)C)C(OOC3(C)C4C(C)(C)C(C4)CC3O)C1(C)OO

EOH

Ethanol

G

46.1

E

Ethanol

CCO

ETE

ethene

G

28.1

E

Ethylene

C=C

ETEG

Ethylene glycol

G

62.1

E

Ethylene glycol

OCCO

ETEP

Peroxy radicals formed from ETE

G

77.0

E

(2-hydroxyethyl)peroxy

OCCO[O]

ETH

ethane

G

30.1

E

Ethane

CC

ETHP

Peroxy radicals formed from ethane and other species

G

61.0

L

Ethylperoxy

CCO[O]

FURAN

Furans and other dienes

G

96.1

L

Furfural

O=CC1=CC=CO1

FURANO2

Peroxy radicals from FURAN oxidation

G

145.1

L

(2-formyl-5-hydroxy-5H-furan-2-yl)peroxy

OC1C=CC(O1)(O[O])(C=O)

FURANONE

Ring-retaining ketone product from FURAN oxidation

G

100.1

L

2-hydroxy-2H-furan-5-one

C1=CC(=O)OC1O

GLY

Glyoxal and glycoaldehydes

G

58.0

L

Glyoxal

O=CC=O

H2O2

Hydrogen peroxide

G

34.0

E

Hydrogen peroxide

OO

HC10

Alkanes and other species with HO rate constant greater than 6.8x10-12 cm3 s-1

G

142.28

L

Decane

CCCCCCCCCC

HC10P

Peroxy radicals formed from HC10

G

173.27

L

Decan-3-ylperoxy

CCCCCCCC(CC)O[O]

HC10P2

Hydroxy peroxy radicals from HC10P alkoxy product

G

189.27

L

(8-hydroxydecan-5-yl)peroxy

CCCCC(O[O])CCC(O)CC

HC3

Alkanes and other species with HO rate constant less than 3.4x10-12 cm3 s-1

G

44.1

L

Propane

CCC

HC3P

Peroxy radicals formed from HC3

G

75.0

L

Isopropyl peroxy

CC(C)O[O]

HC5

Alkanes and other species with HO rate constant between 3.4x10-12 and 6.8x10-12 cm3 s-1

G

72.1

L

Pentane

CCCCC

HC5P

Peroxy radicals formed from HC5

G

103.0

L

Pentan-3-ylperoxy

CCC(O[O])CC

HCHO

Formaldehyde

G

30.0

E

Formaldehyde

C=O

HCL

Hydrochloric acid

G

36.0

E

Hydrochloric acid

Cl

HKET

Hydroxy ketone

G

74.0

L

Hydroxy acetone

CC(=O)CO

HNO3

Nitric acid

G

63.0

E

Nitric acid

[N+](=O)(O)[O-]

HNO4

Pernitric acid

G

79.0

E

Hydroxy nitrate

[N+](=O)([O-])OO

HO

Hydroxy radical

G

17.0

E

Hydroxyl radical

[OH]

HO2

Hydroperoxy radical

G

33.0

E

Hydroperoxy

O[O-]

HOM

Highly oxygenated molecules from terpenes

GP

250.0

L

6,7-dihydroperoxy-3,3,6-trimethyl-tetrahydro-3aH-1,2-benzodioxol-5-ol

OC1CC2C(OOC2(C)C)C(OO)C1(C)OO

HONIT

Second generation monoterpene nitrates

GP

265.0

L

2-(3-hydroperoxy-4,5-dihydroxy-4-methylcyclohexyl)propan-2-yl nitrate

CC(C)(O[N+]([O-])=O)C1CC(O)C(C)(O)C(C1)OO

HONO

Nitrous acid

G

47.0

E

Nitrous acid

N(=O)O

IEPOX

isoprene epoxydiols

G

118.1

E

Isoprene epoxydiol

OCC1OC1(C)CO

IEPOXP

IEPOX intermediate (tracking species)

G

118.1

NA

INALD

Isoprene nitrates

G

195.1

L

2-hydroperoxy-4-hydroxy-3-methyl-3-(nitrooxy)butanal

CC(CO)(O[N+](=O)O)C(C=O)OO

INO2

Isoprene nitrate-derived peroxy radicals

G

162.1

L

[(2E)-3-methyl-4-(nitrooxy)but-2-en-1-yl]peroxy

C/C(=C\CO[O])CON(=O)=O

IPX

Isoprene tetrafunctional compounds

G

150.1

L

3-(1-hydroperoxy-2-hydroxypropan-2-yl)oxiran-2-ol

CC(O)(COO)C1OC1O

ISHP

Beta-hydroxy hydroperoxides from ISOP+HO2

G

118.0

L

2-hydroperoxy-2-methylbut-3-en-1-ol

C=CC(OO)(CO)C

ISO

Isoprene

G

68.1

E

Isoprene

CC(=C)C=C

ISON

Beta-hydroxyalkylnitrates from ISOP+NO alkylnitrates from ISO+NO3

G

147.0

L

2-methyl-2-(nitrooxy)but-3-en-1-ol

OCC(C)(C=C)ON(=O)=O

ISOP

Peroxy radicals formed from ISO+HO

G

117.0

L

(1-hydroxy-3-methylbut-3-en-2-yl)peroxy

OCC(O[O])C(C)=C

KET

ketones

G

86.0

L

Diethylketone

CCC(=O)CC

KETP

Peroxy radicals formed from KET

G

117.0

L

(3-oxopentan-2-yl)peroxy

CCC(C(C)O[O])=O

LIM

d-limonene and other cyclic diene-terpenes

G

136.3

L

D-Limonene

CC(=C)[C@@H]1CCC(C)=CC1

LIMAL

Limonene aldehyde and similar LIM-derived aldehydes

G

168.0

L

Limonaldehyde

O=CCC(CCC(=O)C)C(=C)C

LIMALP

Peroxy radicals from LIMAL

G

217.0

L

[1-hydroxy-2-methyl-5-oxo-3-(3-oxobutyl)pentan-2-yl]peroxy

O=CCC(CCC(=O)C)C(C)(CO)O[O]

LIMNP1

Peroxy radicals from LIM+NO3 that do not undergo autoxidation

G

230.0

L

[1-methyl-2-(nitrooxy)-4-(prop-1-en-2-yl)cyclohexyl]peroxy

[O-][N+](=O)OC1CC(CCC1(C)O[O])C(=C)C

LIMNP2

Peroxy radicals from LIM+NO3 that undergo autoxidation

G

230.0

L

[1-methyl-2-(nitrooxy)-4-(prop-1-en-2-yl)cyclohexyl]peroxy

[O-][N+](=O)OC1CC(CCC1(C)O[O])C(=C)C

LIMP1

Peroxy radicals from LIM+OH that do not undergo autoxidation

G

185.0

L

[2-hydroxy-1-methyl-4-(prop-1-en-2-yl)cyclohexyl]peroxy

[O]OC1(C)CCC(CC1O)C(=C)C

LIMP2

Peroxy radicals from LIM+OH that undergo autoxidation

G

185.0

L

[2-hydroxy-1-methyl-4-(prop-1-en-2-yl)cyclohexyl]peroxy

[O]OC1(C)CCC(CC1O)C(=C)C

MACP

Peroxy radicals formed from MACR+HO

G

101.0

L

(2-methylprop-2-enoyl)peroxy

CC(=C)C(=O)O[O]

MACR

methacrolein and other C4 aldehydes

G

70.0

L

Methacrolein

CC(=C)C=O

MAHP

Hydroperoxides from MACP+HO2

G

102.0

L

2-methylprop-2-eneperoxoic acid

C=C(C)C(OO)=O

MCP

Peroxy radical formed from MACR + HO which does not form MPAN

G

119.0

L

(1-hydroxy-2-methyl-3-oxopropan-2-yl)peroxy

OCC(C)(O[O])C=O

MCT

Methyl catechol

G

124.1

L

4-Methylcatechol

CC1=CC(O)=C(O)C=C1

MCTO

Alkoxy radical formed from MCT+HO and MCT+NO3

G

123.0

L

3-hydroxy-5-methylphenyloxidanyl

CC1=CC(O)=CC([O])=C1

MCTP

Radical formed fro MCT+O3 reaction

G

172.0

L

C7H8O5 Biradical

CC(/C=C\[C](O[O])O)=C/C(O)=O

MEK

Methyl ethyl ketone

G

72.1

E

Methyl ethyl ketone

CCC(C)=O

MEKP

Peroxy radicals formed from MEK

G

103.0

L

(3-oxobutyl)peroxy

[O]OCCC(=O)C

MGLY

Methylglyoxal and other alpha-carbonyl aldehydes

G

72.0

L

Methyl glyoxal

CC(=O)C=O

MO2

Methyl peroxy radical

G

47.0

E

Methylperoxy

CO[O]

MOH

Methanol

G

32.0

E

Methanol

CO

MPAN

Peroxymethacryloylnitrate and other higher peroxyacylnitrates from isoprene oxidation

G

147.1

L

Peroxymethacryloyl nitrate

O=N(=O)OOC(=O)C(=C)C

MVK

Methyl vinyl ketone

G

70.1

E

Methyl vinyl ketone

CC(=O)C=C

MVKP

Peroxy radicals formed from MVK

G

119.0

L

(2-hydroxy-3-oxobutyl)peroxy

CC(=O)C(O)CO[O]

N2O5

Dinitrogen pentoxide

G

108.0

E

Dinitrogen pentoxide

[N+](=O)([O-])O[N+](=O)[O-]

NAPH

Naphthalene and other PAHs

G

128.17

L

Naphthalene

C1=CC2=CC=CC=C2C=C1

NAPHP

Peroxy radicals from NAPH oxidation

G

209.17

L

{8-hydroxy-10,11-dioxatricyclo[7.2.1.0^{2,7}]dodeca-2,4,6-trien-12-yl}peroxy

C12=CC=CC=C1C3OOC(C3O[O])C2(O)

NH3

Ammonia

G

17.0

E

Ammonia

N

NO

Nitric oxide

G

30.0

E

Nitric oxide

[N]=O

NO2

Nitrogen dioxide

G

46.0

E

Nitrogen dioxide

N(=O)[O]

NO3

Nitrogen trioxide

G

62.0

E

Nitrate radical

[O]N(=O)=O

NUM

Number of particles

P

1.0

L

Number of particles

O1D

Excited state oxygen atom, O(1D)

G

16.0

E

Excited oxygen

[O]

O3

Ozone

G

48.0

E

Ozone

[O-][O+]=O

O3P

Ground state oxygen atom, O(3P)

G

16.0

E

Ground state oxygen

[O]

OLI

Internal alkenes

G

70.1

L

2-Methyl-2-butene

CC=C(C)C

OLIP

Peroxy radicals formed from OLI

G

119.0

L

(3-hydroxy-2-methylbutan-2-yl)peroxy

[O]OC(C)(C)C(C)O

OLND

NO3-alkene adduct reacting via decomposition

G

136.0

L

[1-(nitrooxy)propan-2-yl]peroxy

CC(O[O])CO[N+]([O-])=O

OLNN

NO3-alkene adduct reacting to form carbonitrates + HO2

G

136.0

L

[1-(nitrooxy)propan-2-yl]peroxy

CC(O[O])CO[N+]([O-])=O

OLT

Terminal alkenes

G

42.0

L

1-Propene

CC=C

OLTP

Peroxy radicals formed from OLT

G

91.0

L

(1-hydroxypropan-2-yl)peroxy

CC(CO)O[O]

ONIT

Organic nitrates

G

119.0

L

Butan-2-yl nitrate

CCC(C)O[N+](=O)[O-]

OP1

Methyl hydrogen peroxide

G

48.0

E

Methyl hydroperoxide

COO

OP2

Higher organic peroxides

G

62.0

L

Ethyl hydroperoxide

CCOO

OP3

Semivolatile organic peroxide

GP

176.2

L

5-hydroperoxy-6-hydroxyoctan-3-one

CCC(=O)CC(OO)C(O)CC

OPB

Terpene-derived peroxides

G

186.2

L

2-hydroperoxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol

OOC1(C)C(O)CC2CC1C2(C)C

ORA1

Formic acid

G

46.0

E

Formic acid

OC=O

ORA2

Acetic acid and higher acids

G

60.2

L

Acetic acid

CC(O)=O

ORAP

Peroxy radical formed from ORA2 + HO reaction

G

91.0

L

(carboxymethyl)peroxy

[O]OCC(=O)O

PAA

Peroxyacetic acids and higher analogs

G

76.0

L

Peroxyacetic acid

CC(=O)OO

PAN

Peroxyacetyl nitrate and higher saturated PANs

G

121.0

L

Peroxyacetyl nitrate

CC(=O)OON(=O)=O

PHEN

phenol and benzene diols

G

110.1

L

Resorcinol

OC1=CC(O)=CC=C1

PINAL

Pinonaldehyde and similar APIN-derived aldehydes

G

168.0

L

Pinonaldehyde

O=CCC1CC(C(=O)C)C1(C)C

PINALP

Peroxy radicals from PINAL oxidation

G

199.0

L

[3-acetyl-2,2-dimethyl-1-(2-oxoethyl)cyclobutyl]peroxy

O=CCC1(O[O])CC(C(=O)C)C1(C)C

PPN

Peroxypropionyl nitrate

G

135.0

E

Peroxypopionyl nitrate

CCC(=O)OO[N+](=O)[O-]

PROG

Propylene glyocol and other 3 carbon dialcohols

G

76.1

E

1,2-Propylene glycol

CC(O)CO

RCO3

Higher saturated acyl peroxy radicals

G

89.0

L

Propanoylperoxy

CCC(=O)O[O]

ROCIOXY

Intermediate volatility oxygenated ROC species (directly emitted)

G

247.0

L

Decamethylcyclopentasiloxane

C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1

ROCN1ALK

Alkane-like ROC species with C* of 10-1 μg m-3

GP

408.8

L

5,9-Dimethylheptacosane

CCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCC

ROCN1OXY1

Oxygenated ROC species with C* of 10-1 μg m-3 and O:C of 0.1

GP

312.5

L

Arachidic Acid

CCCCCCCCCCCCCCCCCCCC(=O)O

ROCN1OXY3

Oxygenated ROC species with C* of 10-1 μg m-3 and O:C of 0.3

GP

230.3

L

DODECANEDIOIC ACID

C(CCCCCC(=O)O)CCCCC(=O)O

ROCN1OXY6

Oxygenated ROC species with C* of 10-1 μg m-3 and O:C of 0.6

GP

190.2

L

2-hydroxy-octanedioic acid

C(CCC(C(=O)O)O)CCC(=O)O

ROCN2ALK

Alkane-like ROC species with C* of 10-2 μg m-3

GP

422.83

L

Triacontane

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

ROCN2OXY2

Oxygenated ROC species with C* of 10-1 μg m-3 and O:C of 0.2

GP

282.4

L

12(S)-hydroxy-16-Heptadecynoic Acid

C#CCCC[C@H](CCCCCCCCCCC(=O)O)O

ROCN2OXY4

Oxygenated ROC species with C* of 10-2 μg m-3 and O:C of 0.4

GP

232.3

L

2-HYDROXYUNDECANEDIOIC ACID

C(CCCCC(=O)O)CCCC(C(=O)O)O

ROCN2OXY8

Oxygenated ROC species with C* of 10-2 μg m-3 and O:C of 0.8

GP

194.2

L

3,4,5,6,7-Pentahydroxyheptan-2-one

CC(=O)C(C(C(C(CO)O)O)O)O

ROCP0ALK

Alkane-like ROC species with C* of 1 μg m-3

GP

394.77

L

11-Methylheptacosane

CCCCCCCCCCCCCCCCC(C)CCCCCCCCCC

ROCP0OXY2

Oxygenated ROC species with C* of 1 μg m-3 and O:C of 0.2

GP

242.4

L

3-oxotetradecanoic acid

CCCCCCCCCCCC(=O)CC(=O)O

ROCP0OXY4

Oxygenated ROC species with C* of 1 μg m-3 and O:C of 0.4

GP

202.3

L

DECANEDIOIC ACID

C(CCCCC(=O)O)CCCC(=O)O

ROCP1ALK

Alkane-like ROC species with C* of 10 μg m-3

GP

380.75

L

Heptacosane

CCCCCCCCCCCCCCCCCCCCCCCCCCC

ROCP1ALKP

Peroxy radicals from ROCP1ALK oxidation

G

411.74

L

heptacosan-3-ylperoxy

CCCCCCCCCCCCCCCCCCCCCCCCC(CC)O[O]

ROCP1ALKP2

Hydroxy peroxy radicals from ROCP1ALK alkoxy product

G

427.73

L

(3-hydroxyheptacosan-6-yl)peroxy

CCCCCCCCCCCCCCCCCCCCCC(O[O])CCC(O)CC

ROCP1OXY1

Oxygenated ROC species with C* of 10 μg m-3 and O:C of 0.1

GP

270.5

L

HEPTADECANOIC ACID

CCCCCCCCCCCCCCCCC(=O)O

ROCP1OXY3

Oxygenated ROC species with C* of 10 μg m-3 and O:C of 0.3

GP

202.3

L

11-hydroxyundecanoic acid

C(CCCCCO)CCCCC(=O)O

ROCP2ALK

Alkane-like ROC species with C* of 10+2 μg m-3

GP

338.66

L

Tetracosane

CCCCCCCCCCCCCCCCCCCCCCCC

ROCP2ALKP

Peroxy radicals from ROCP2ALK oxidation

G

369.65

L

tetracosan-3-ylperoxy

CCCCCCCCCCCCCCCCCCCCCC(CC)O[O]

ROCP2ALKP2

Hydroxy peroxy radicals from ROCP2ALK alkoxy product

G

385.65

L

(3-hydroxytetracosan-6-yl)peroxy

CCCCCCCCCCCCCCCCCCC(O[O])CCC(O)CC

ROCP2OXY2

Oxygenated ROC species with C* of 10+2 μg m-3 and O:C of 0.2

GP

200.3

L

Dodecanoic Acid

CCCCCCCCCCCC(=O)O

ROCP3ALK

Alkane-like ROC species with C* of 10+3 μg m-3

GP

296.58

L

Heneicosane

CCCCCCCCCCCCCCCCCCCCC

ROCP3ALKP

Peroxy radicals from ROCP3ALK oxidation

G

327.57

L

henicosan-3-ylperoxy

CCCCCCCCCCCCCCCCCCC(CC)O[O]

ROCP3ALKP2

Hydroxy peroxy radicals from ROCP3ALK alkoxy product

G

343.57

L

(3-hydroxyhenicosan-6-yl)peroxy

CCCCCCCCCCCCCCCC(O[O])CCC(O)CC

ROCP3OXY2

Oxygenated ROC species with C* of 10+3 μg m-3 and O:C of 0.2

GP

186.3

L

11-hydroxyundecanal

C(CCCCCO)CCCCC=O

ROCP4ALK

Alkane-like ROC species with C* of 10+4 μg m-3

G

254.5

L

Octadecane

CCCCCCCCCCCCCCCCCC

ROCP4ALKP

Peroxy radicals from ROCP4ALK oxidation

G

285.49

L

octadecan-3-ylperoxy

CCCCCCCCCCCCCCCC(CC)O[O]

ROCP4ALKP2

Hydroxy peroxy radicals from ROCP4ALK alkoxy product

G

301.49

L

(3-hydroxyoctadecan-6-yl)peroxy

CCCCCCCCCCCCC(O[O])CCC(O)CC

ROCP4OXY2

Oxygenated ROC species with C* of 10+4 μg m-3 and O:C of 0.2

G

158.2

L

2-Ethylheptanoic Acid

CCCCCC(CC)C(=O)O

ROCP5ALK

Alkane-like ROC species with C* of 10+5 μg m-3

G

198.39

L

Tetradecane

CCCCCCCCCCCCCC

ROCP5ALKP

Peroxy radicals from ROCP5ALK oxidation

G

229.38

L

tetradecan-3-ylperoxy

CCCCCCCCCCCC(CC)O[O]

ROCP5ALKP2

Hydroxy peroxy radicals from ROCP5ALK alkoxy product

G

245.38

L

(3-hydroxytetradecan-6-yl)peroxy

CCCCCCCCC(O[O])CCC(O)CC

ROCP5ARO

Aromatic ROC species with C* of 10+5 μg m-3

G

190.33

L

Benzene, octyl-

CCCCCCCCC1=CC=CC=C1

ROCP5AROP

Peroxy radicals from ROCP5ARO oxidation

G

271.33

L

{8-hydroxy-5-octyl-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy

CCCCCCCCC1(OO2)C=CC(O[O])C2C1O

ROCP5OXY1

Oxygenated ROC species with C* of 10+5 μg m-3 and O:C of 0.1

G

170.3

L

Undecanal

CCCCCCCCCCC=O

ROCP6ALK

Alkane-like ROC species with C* of 10+6 μg m-3

G

184.37

L

Tridecane

CCCCCCCCCCCCC

ROCP6ALKP

Peroxy radicals from ROCP6ALK oxidation

G

215.36

L

tridecan-3-ylperoxy

CCCCCCCCCCC(CC)O[O]

ROCP6ALKP2

Hydroxy peroxy radicals from ROCP6ALK alkoxy product

G

231.36

L

(3-hydroxytridecan-6-yl)peroxy

CCCCCCCC(O[O])CCC(O)CC

ROCP6ARO

Aromatic ROC species with C* of 10+6 μg m-3

G

176.3

L

1-Hexyl-4-methylbenzene

CCCCCCC1=CC=C(C)C=C1

ROCP6AROP

Peroxy radicals from ROCP6ARO oxidation

G

257.3

L

{2-hexyl-8-hydroxy-5-methyl-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy

OC1C2C(CCCCCC)(O[O])C=CC1(C)OO2

ROCP6OXY1

Oxygenated ROC species with C* of 10+6 μg m-3 and O:C of 0.1

G

142.2

L

Nonanal

CCCCCCCCC=O

ROH

C3 and higher alcohols

G

60.0

L

Propanol

CCCO

SESQ

Sesquiterpenes

G

204.4

L

b-caryophyllene

C/C1=C/CCC(=C)C2CC(C)(C)C2CC\1

SESQNRO2

Peroxy radicals from SESQ reaction with nitrate radicals

G

298.4

L

[4,11,11-trimethyl-8-methylidene-5-(nitrooxy)bicyclo[7.2.0]undecan-4-yl]peroxy

[O]OC1(C)CCC2C(CC2(C)C)C(=C)CCC1O[N+](=O)[O-]

SESQRO2

Peroxy radicals from SESQ reaction with OH

G

253.4

L

{5-hydroxy-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecan-4-yl}peroxy

[O]OC1(C)CCC2C(CC2(C)C)C(=C)CCC1O

SLOWROC

Slowly reacting ROC with kOH< 3.5x10-13 cm3 s-1

G

75.4

L

Hydrogen cyanide

C#N

SO2

Sulfur dioxide

G

64.0

E

Sulfur dioxide

O=S=O

SRF

Surface area of particles

P

1.0

L

Surface area of particles

STY

Styrene

G

104.0

E

Styrene

C=CC1=CC=CC=C1

STYP

Peroxy radicals from STY

G

153.0

E

(2-hydroxy-2-phenylethyl)peroxy

[O]OCC(O)C1=CC=CC=C1

SULF

Sulfuric acid

G

98.0

E

Sulfuric acid

OS(=O)(=O)O

SULRXN

Precursor of Aerosol Sulfate (tracking species)

G

98.0

NA

TOL

Toluene

G

92.14

E

Toluene

CC1=CC=CC=C1

TOLP

Peroxy radicals formed from TOL

G

173.14

L

{8-hydroxy-5-methyl-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy

[O]OC1C=CC2(C)OOC1C2O

TRPN

First generation monoterpene nitrates

GP

215.0

L

3-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-2-yl nitrate

O=N(=O)OC1(C)C(O)CC2CC1C2(C)C

UALD

Unsaturated aldehydes

G

84.1

L

2-Methylbut-2-enal

CC=C(C)C=O

UALP

Peroxy radicals formed from UALD

G

133.0

L

(3-hydroxy-3-methyl-4-oxobutan-2-yl)peroxy

CC(O[O])C(C)(O)C=O

XO2

Accounts for addition NO to NO2 conversions (tracking species)

G

1.0

NA

XYL

Xylenes and other volatile aromatics

G

106.2

L

m-Xylene

CC1=CC(C)=CC=C1

XYLP

Peroxy radicals formed from XYL

G

187.17

L

{8-hydroxy-1,5-dimethyl-6,7-dioxabicyclo[3.2.1]oct-3-en-2-yl}peroxy

[O]OC1C=CC2(C)OOC1(C)C2O