Combined Mass Spectra & Volatility Database

This page is a compilation of published spectra and thermal desorption profiles obtained with the UC-Riverside TDPBMS. Spectra with thermal-denuder + AMS will also be added later. The development of the thermal-denuder + AMS technique and of this database have been supported by EPA STAR grant R831080 to UC-Riverside, CU-Boulder, and Aerodyne Research.

These spectra have been made available to the entire community. By using these spectra you agree to make appropriate citations of the papers referenced. Please honor this request so that the spectra can continue to be available to everyone. Also please cite this database as: Ziemann, P., Faulhaber, A., Huffman, J.A., Lechner, M., and Jimenez, J.L., Combined Mass Spectra-Volatility Database http://cires.colorado.edu/jimenez-group/TDPBMSsd/.

If you have spectra you'd like added to the database, please send them to Philip Handley, Your comments are also welcome!

Spectra are divided into several categories with respective ID labels:

• POA Source (POA_S_xxx)
• Ambient Aerosol (AA_xxx)
• Alkene (SOA_ENE_xxx)
• Alkane (SOA_ANE_xxx)
• Aromatic (SOA_ARO_xxx)
• Monoterpene (SOA_MON_xxx)
• Complex Mixtures (SOA_CM_xxx)

Note that replicates of spectra are of great interest. As in the NIST or Wiley databases, replicates allow the user to identify differences that may be due to impurities, different experimental conditions, instrumental differences, etc.

Database Version 1.3 with 25 sets of thermograms some with associated spectra.

If you would like to download all of the thermograms and spectrum that are contained in this database please Click Here.

POA--Source

Spectra ID	Source	Group	Instrument	EI Energy	Vaporizer Temp (oC)	Citation	Fig #	Comments	Thermal Desorption Profile	Thermodenuder Vaporization Profile	Real Time Mass Spectrum
JL_TD_POA_S_001	bratwurst cooking on propane gas grill	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al. ES&T, 2009, 43, 5351-5357.	fig. 4			JL_TD_POA_S_001_bratwurst.itx
JL_TD_POA_S_002	fatty beef hamburger patty cooking on propane gas grill	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al. ES&T, 2009, 43, 5351-5357.	fig. 4	For more details on mass spectra see Mohr, C. et al.		JL_TD_POA_S_002_fatty_beef.itx	S_W_019_MSSD_fatty_burger_org.itx
JL_TD_POA_S_003	Lodgepole burning	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al. ES&T, 2009, 43, 5351-5357.	fig. 4			JL_TD_POA_S_003_lodgepole.itx
JL_TD_POA_S_004	Paper burning	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al. ES&T, 2009, 43, 5351-5357.	fig. 4	For more details on mass spectra see Mohr, C. et al.		JL_TD_POA_S_004_Paper.itx	S_W_022_MSSD_Paper_org.itx
JL_TD_POA_S_005	Plastic no.2 burning	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al. ES&T, 2009, 43, 5351-5357.	fig. 4	For more details on mass spectra see Mohr, C. et al.		JL_TD_POA_S_005_Plastic_2.itx	S_W_023_MSSD_plastic_two_org.itx
JL_TD_POA_S_006	Sage and Rabbit brush burning	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al. ES&T, 2009, 43, 5351-5357.	fig. 4			JL_TD_POA_S_006_sage_rabbitbrush.itx
JL_TD_POA_S_007	Chicken with skin cooking on propane gas grill.	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al. ES&T, 2009, 43, 5351-5357.	fig. 4			JL_TD_POA_S_007_chicken_skin.itx

Ambient Aerosol

Spectra ID	Source	Group	Instrument	EI Energy	Vaporizer Temp (oC)	Citation	Fig #	Comments	Thermal Desorption Profile	Thermodenuder Vaporization Profile	Real Time Mass Spectrum
JL_TD_AA_001	SOAR-1 nitrate	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al., AC&P, 2009, 9, 7161-7182	4a	MILAGRO data added for comparison TD Temp ramped to 230oC		JL_TD_AA_001_nitrate.itx
JL_TD_AA_002	SOAR-1 sulfate	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al., AC&P, 2009, 9, 7161-7182	4b	MILAGRO data added for comparison TD Temp ramped to 230oC		JL_TD_AA_002_sulfate.itx
JL_TD_AA_003	SOAR-1 chloride	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al., AC&P, 2009, 9, 7161-7182	4c	MILAGRO data added for comparison TD Temp ramped to 230oC		JL_TD_AA_003_chloride.itx
JL_TD_AA_004	SOAR-1 ammonium	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al., AC&P, 2009, 9, 7161-7182	4c	MILAGRO data added for comparison TD Temp ramped to 230oC		JL_TD_AA_004_ammonium.itx
JL_TD_AA_007	SOAR-1 selected ions	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al., AC&P, 2009, 9, 7161-7182	7a			JL_TD_AA_007_selec_ions.itx
JL_TD_AA_008	SOAR-1 selected ions	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al., AC&P, 2009, 9, 7161-7182	7b			JL_TD_AA_008_selec_ions.itx
JL_TD_AA_009	SOAR-1 OA	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al., AC&P, 2009, 9, 7161-7182	8a			JL_TD_AA_009_OA.itx
JL_TD_AA_010	MILAGRO OA	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al., AC&P, 2009, 9, 7161-7182	8b			JL_TD_AA_010_OA.itx
JL_TD_AA_011	SOAR-1 total OA	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al., AC&P, 2009, 9, 7161-7182	8c			JL_TD_AA_011_OA.itx
JL_TD_AA_012	MILAGRO total OA	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al., AC&P, 2009, 9, 7161-7182	8d			JL_TD_AA_012_OA.itx
JL_TD_AA_013	SOAR-1 OOA-1	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al., AC&P, 2009, 9, 7161-7182	10a			JL_TD_AA_013_OOA_1.itx
JL_TD_AA_014	SOAR-1 OOA-2	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al., AC&P, 2009, 9, 7161-7182	10b			JL_TD_AA_014_OOA_2.itx
JL_TD_AA_015	SOAR-1 OOA-3	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al., AC&P, 2009, 9, 7161-7182	10c			JL_TD_AA_015_OOA_3.itx
JL_TD_AA_016	MILAGRO OOA-1	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al., AC&P, 2009, 9, 7161-7182	10d			JL_TD_AA_016_OOA_1.itx
JL_TD_AA_017	MILAGRO OOA-2	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al., AC&P, 2009, 9, 7161-7182	10e			JL_TD_AA_017_OOA_2.itx
JL_TD_AA_018	MILAGRO BBOA	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al., AC&P, 2009, 9, 7161-7182	10f			JL_TD_AA_018_BBOA.itx
JL_TD_AA_018	MILAGRO BBOA	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al., AC&P, 2009, 9, 7161-7182	10f			JL_TD_AA_018_BBOA.itx
JL_TD_AA_019	SOAR-1 O/C	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al., AC&P, 2009, 9, 7161-7182	11a	pink region diurnal O/C range lower bound morning (hours 4-8 local) upper bound afternoon (hours 14-18 local)		JL_TD_AA_019_O_C.itx
JL_TD_AA_020	MILAGRO O/C	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al., AC&P, 2009, 9, 7161-7182	11b	pink region diurnal O/C range lower bound morning (hours 4-8 local) upper bound afternoon (hours 14-18 local)		JL_TD_AA_020_O_C.itx
JL_TD_AA_021	SOAR H/C	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al., AC&P, 2009, 9, 7161-7182	11c	pink region diurnal O/C range lower bound morning (hours 4-8 local) upper bound afternoon (hours 14-18 local)		JL_TD_AA_021_H_C.itx
JL_TD_AA_022	MILAGRO H/C	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al., AC&P, 2009, 9, 7161-7182	11d	pink region diurnal O/C range lower bound morning (hours 4-8 local) upper bound afternoon (hours 14-18 local)		JL_TD_AA_022_H_C.itx

Laboratory Spectra--SOA--Alkene

Spectra ID	Source	Group	Instrument	EI Energy	Vaporizer Temp (oC)	Citation	Fig #	Comments	Thermal Desorption Profile	Thermodenuder Vaporization Profile	Real Time Mass Spectrum
ZL_SOA_ENE_001	1-Tetradecene + OH	Paul Ziemann University of California-Riverside	TDPBMS	70ev	160			Thermodenuder Profile is Calculated	ZL_SOA_ENE_001_1Tetradecene_OH_TPTD.itx	ZL_SOA_ENE_001_1Tetradecene_OH_TD.itx	ZL_SOA_ENE_001_1Tetradecene_OH_CPS.itx
ZL_SOA_ENE_002	1-Tetradecene + NO3	Paul Ziemann University of California-Riverside	TDPBMS	70ev	160	Gong, H., et al.,J. Phys. Chem. A, 2005, 109, pgs. 4312-4324	RTMS: Fig. 3 TDP: Fig. 4	Thermodenuder Profile is Calculated	ZL_SOA_ENE_002_1Tetradecene_NO3_TPTD.itx	ZL_SOA_ENE_002_1Tetradecene_NO3_TD.itx	ZL_SOA_ENE_002_1Tetradecene_NO3_CPS.itx
ZL_SOA_ENE_003	Cyclododecene + NO3	Paul Ziemann University of California-Riverside	TDPBMS	70ev	160			Thermodenuder Profile is Calculated	ZL_SOA_ENE_003_Cyclododecene_NO3_TPTD.itx	ZL_SOA_ENE_003_Cyclododecene_NO3_TD.itx	ZL_SOA_ENE_003_Cyclododecene_NO3_CPS.itx
ZL_SOA_ENE_004	β-Pinene + OH	Paul Ziemann University of California-Riverside	TDPBMS	70ev	160			Thermodenuder Profile is Calculated	ZL_SOA_ENE_004_bPinene_OH_TPTD.itx	ZL_SOA_ENE_004_bPinene_OH_TD.itx	ZL_SOA_ENE_004_bPinene_OH_CPS.itx
ZL_SOA_ENE_005	β-Pinene + NO3	Paul Ziemann University of California-Riverside	TDPBMS	70ev	160			Thermodenuder Profile is Calculated	ZL_SOA_ENE_005_bPinene_NO3_TPTD.itx	ZL_SOA_ENE_005_bPinene_NO3_TD.itx	ZL_SOA_ENE_005_bPinene_NO3_CPS.itx
JL_TD_SOA_ENE_006	α-Pinene + O3	Jose Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al. ES&T, 2009, 43, 5351-5357.	fig. 4			JL_TD_SOA_ENE_006_a_pinene.itx

Laboratory Spectra--SOA--Alkane

Spectra ID	Source	Group	Instrument	EI Energy	Vaporizer Temp (oC)	Citation	Fig #	Comments	Thermal Desorption Profile	Thermodenuder Vaporization Profile	Real Time Mass Spectrum
ZL_SOA_ANE_001	2,6,10-Trimethyldodecane + OH	Paul Ziemann University of California-Riverside	TDPBMS	70ev	160	Lim, Y.B., et al., ES&T, 2005, 39, pgs. 9229-9236		Thermodenuder profile is calculated	ZL_SOA_ANE_001_2,6,10Trimethyldodecane_OH_TPTD.itx	ZL_SOA_ANE_001_2,6,10Trimethyldodecane_OH_TD.itx	ZL_SOA_ANE_001_2,6,10Trimethyldodecane_OH_CPS.itx
ZL_SOA_ANE_002	Pentadecane + OH	Paul Ziemann University of California-Riverside	TDPBMS	70ev	160	Lim, Y.B., et al., ES&T, 2005, 39, pgs. 9229-9236	RTMS: Fig. 2 TDP: Fig. 3	Thermodenuder profile is calculated	ZL_SOA_ANE_002_Pentadecane_OH_TPTD.itx	ZL_SOA_ANE_002_Pentadecane_OH_TD.itx	ZL_SOA_ANE_002_Pentadecane_OH_CPS.itx
ZL_SOA_ANE_003	Undecane + OH	Paul Ziemann University of California-Riverside	TDPBMS	70ev	160	Lim, Y.B., et al., ES&T, 2005, 39, pgs. 9229-9236		Thermodenuder profile is calculated	ZL_SOA_ANE_003_Undecane_OH_TPTD.itx	ZL_SOA_ANE_003_Undecane_OH_TD.itx	ZL_SOA_ANE_003_Undecane_OH_CPS.itx
ZL_SOA_ANE_004	Cyclopentadecane + OH	Paul Ziemann University of California-Riverside	TDPBMS	70ev	160	Lim, Y.B., et al., ES&T, 2005, 39, pgs. 9229-9236		Thermodenuder profile is calculated	ZL_SOA_ANE_004_Cyclopentadecane_OH_TPTD.itx	ZL_SOA_ANE_004_Cyclopentadecane_OH_TD.itx	ZL_SOA_ANE_004_Cyclopentadecane_OH_CPS.itx
ZL_SOA_ANE_005	Decylcyclohexane + OH	Paul Ziemann University of California-Riverside	TDPBMS	70ev	160	Lim, Y.B., et al., ES&T, 2005, 39, pgs. 9229-9236		Thermodenuder profile is calculated	ZL_SOA_ANE_005_Decylcyclohexane_OH_TPTD.itx	ZL_SOA_ANE_005_Decylcyclohexane_OH_TD.itx	ZL_SOA_ANE_005_Decylcyclohexane_OH_CPS.itx

Laboratory Spectra--SOA--Aromatic

Spectra ID	Source	Group	Instrument	EI Energy	Vaporizer Temp (oC)	Citation	Fig #	Comments	Thermal Desorption Profile	Thermodenuder Vaporization Profile	Real Time Mass Spectrum
ZL_SOA_ARO_001	Toluene + OH	Paul Ziemann University of California-Riverside	TDPBMS	70ev	160			Desorption profile is calculated	ZL_SOA_ARO_Toluene_OH_TPTD.itx	ZL_SOA_ARO_Toluene_OH_TD.itx	ZL_SOA_ARO_Toluene_OH_CPS.itx
ZL_SOA_ARO_002	m-Xylene + OH	Paul Ziemann University of California-Riverside	TDPBMS	70ev	160			Desorption profile is calculated	ZL_SOA_ARO_002_mXylene_OH_TPTD.itx	ZL_SOA_ARO_002_mXylene_OH_TD.itx	ZL_SOA_ARO_002_mXylene_OH_CPS.itx

Laboratory Spectra--SOA--Monoterpene

Spectra ID	Source	Group	Instrument	EI Energy	Vaporizer Temp (oC)	Citation	Fig #	Comments	Thermal Desorption Profile	Thermodenuder Vaporization Profile	Real Time Mass Spectrum
ZL_SOA_MON_001	α-Pinene + O3	Paul Ziemann University of California-Riverside	TDPBMS	70ev	160	Docherty, K.S., et al., ES&T, 2005, 39, pgs. 4049-4059	RTMS: Fig. 2 TDP: Fig. 4	Thermodenuder profile is calculated	ZL_SOA_MON_001_aPinene_O3_TPTD.itx	ZL_SOA_MON_001_aPinene_O3_TD.itx	ZL_SOA_MON_001_aPinene_O3_CPS.itx
ZL_SOA_MON_002	β-Pinene + O3	Paul Ziemann University of California-Riverside	TDPBMS	70ev	160	Docherty, K.S., et al., ES&T, 2005, 39, pgs. 4049-4059	RTMS: Fig. 2	Thermodenuder profile is calculated	ZL_SOA_MON_002_bPinene_O3_TPTD.itx	ZL_SOA_MON_002_bPinene_O3_TD.itx	ZL_SOA_MON_002_bPinene_O3_CPS.itx
ZL_SOA_MON_003	Sabinene + O3	Paul Ziemann University of California-Riverside	TDPBMS	70ev	160	Docherty, K.S., et al., ES&T, 2005, 39, pgs. 4049-4059	RTMS: Fig. 2 TDP: Fig. 4	Thermodenuder profile is calculated	ZL_SOA_MON_003_Sabinene_O3_TPTD.itx	ZL_SOA_MON_003_Sabinene_O3_TD.itx	ZL_SOA_MON_003_Sabinene_O3_CPS.itx
ZL_SOA_MON_004	3-Carene + O3	Paul Ziemann University of California-Riverside	TDPBMS	70ev	160	Docherty, K.S., et al., ES&T, 2005, 39, pgs. 4049-4059	RTMS: Fig. 2 TDP: Fig. 4	Thermodenuder profile is calculated	ZL_SOA_MON_004_3Carene_O3_TPTD.itx	ZL_SOA_MON_004_3Carene_O3_TD.itx	ZL_SOA_MON_004_3Carene_O3_CPS.itx

Laboratory Spectra--SOA--Complex Mixture

Spectra ID	Source	Group	Instrument	EI Energy	Vaporizer Temp (oC)	Citation	Fig #	Comments	Thermal Desorption Profile	Thermodenuder Vaporization Profile	Real Time Mass Spectrum
JL_TD_SOA_CM_001	gasoline + OH + NOx	Jimenez University of Colorado	Colorado TD + HR-ToF-AMS	70ev	600	Huffman, J.A., et al. ES&T, 2009, 43, 5351-5357.	fig. 4			JL_TD_SOA_CM_001_gasoline.itx

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Definition of Abbreviations
TDP - Thermal Desorption Profile
RTMS - Real Time Mass Spectrum

This page is maintained by Philip Handley of the Jimenez Group at the University of Colorado.

This page was last updated on July 22, 2009