Mass Spectral Libraries

For users of these data products: Bibliographic citations should be included in the References section of publications and other media using these data to acknowledge those who have created the mass spectral libraries provided by Goldstein Lab researchers. Proper citations include the authors, title, publisher, and Digital Object Identifier (DOI) and will allow the data products to be discovered and re-used by others.

Libraries are compressed into ZIP archives

  • Jen, C. N., Hatch, L. E., Selimovic, V., Yokelson, R. J., Weber, R., Fernandez, A. E., Kreisberg, N. M., Barsanti, K. C., and Goldstein, A. H.: Speciated and total emission factors of particulate organics from burning western US wildland fuels and their dependence on combustion efficiency, Atmos. Chem. Phys., 19, 1013-1026,, 2019.
    This work was supported by NOAA (NA16OAR4310107, NA16OAR4310103, and NA16OAR4310100) to UCB, UCR, and UM. Coty N. Jen acknowledges support from NSF PFS (AGS-1524211).MS Library- MSP text format: FSL_FIREX2016_v1
    MS Library- NIST library format: FSL_FIREX2016_v1

  • Yee, L. D., Isaacman-VanWertz, G., Wernis, R. A., Meng, M., Rivera, V., Kreisberg, N. M., Hering, S. V., Bering, M. S., Glasius, M., Upshur, M. A., Gray Bé, A., Thomson, R. J., Geiger, F. M., Offenberg, J. H., Lewandowski, M., Kourtchev, I., Kalberer, M., de Sá, S., Martin, S. T., Alexander, M. L., Palm, B. B., Hu, W., Campuzano-Jost, P., Day, D. A., Jimenez, J. L., Liu, Y., McKinney, K. A., Artaxo, P., Viegas, J., Manzi, A., Oliveira, M. B., de Souza, R., Machado, L. A. T., Longo, K., and Goldstein, A. H.: Observations of sesquiterpenes and their oxidation products in central Amazonia during the wet and dry seasons, Atmos. Chem. Phys., 18, 10433-10457,, 2018.
    The UC Berkeley team was supported for the GoAmazon2014/15 field campaign by NSF ACP grant no. 1332998 and for further analysis of the dataset by DOE ASR grant no. DE-SC0014040.MSLibrary- MSP text format: GoAmazon2014_terpox_v2
    MSLibrary- NIST library format:GoAmazon2014_terpox_v2

  • Worton, D.R.,  M. Decker, G. Isaacman-VanWertz, A.W.H. Chan,  K.R. Wilson  and  A.H. Goldstein, Improved molecular level identification of organic compounds using comprehensive two-dimensional chromatography, dual ionization energies and high resolution mass spectrometry, Analyst, 142, 2395–2403, 10.1039/C7AN00625J, 2017.
    Funding was provided by the National Science Foundation (Grant #0922562).MS Library- MSP text format: Worton_VUV_2017
    MS Library- NIST library format: Worton_VUV_2017

Research Tools

The following software and data analysis tools were developed in Goldstein Lab and are offered to the greater research community.

  • TERN GC-MS Analysis Software
    Isaacman-VanWertz, G., D.T. Sueper, K.C. Aikin, B.M. Lerner, J.B. Gilman, J.A. de Gouw, D.R. Worsnop, and A.H. Goldstein, Automated single-ion peak fitting as an efficient approach for analyzing complex chromatographic data, J. Chrom. A, doi:10.1016/j.chroma.2017.11.005, V 1529, 81-92, 2017.