Abstract
Ion mobility mass spectrometry (IM-MS) is a promising analytical technique for glycomics that separates glycan ions based on their collision cross section (CCS) and provides glycan precursor and fragment masses. It has been shown that isomeric oligosaccharide species can be separated by IM and identified on basis of their CCS and fragmentation. These results indicate that adding CCSs information for glycans and glycan fragments to searchable databases and analysis pipelines will increase identification confidence and accuracy. We have developed a freely accessible database, GlycoMob (http://www.glycomob.org), containing over 900 CCSs values of glycans, oligosaccharide standards and their fragments that will be continually updated. We have measured the absolute CCSs of calibration standards, biologically derived and synthetic N-glycans ionized with various adducts in positive and negative mode or as protonated (positive ion) and deprotonated (negative ion) ions.
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Spiro, R.G.: Protein glycosylation: nature, distribution, enzymatic formation, and disease implications of glycopeptide bonds. Glycobiology 12(4), 43R–56R (2002)
Cummings, R.D., Pierce, J.M.: The challenge and promise of glycomics. Chem. Biol. 21(1), 1–15 (2014). doi:10.1016/j.chembiol.2013.12.010
Pang, P.C., Chiu, P.C., Lee, C.L., Chang, L.Y., Panico, M., Morris, H.R., Haslam, S.M., Khoo, K.H., Clark, G.F., Yeung, W.S., Dell, A.: Human sperm binding is mediated by the sialyl-Lewis(x) oligosaccharide on the zona pellucida. Science 333(6050), 1761–1764 (2011). doi:10.1126/science.1207438
Dalziel, M., Crispin, M., Scanlan, C.N., Zitzmann, N., Dwek, R.A.: Emerging principles for the therapeutic exploitation of glycosylation. Science 343(6166), 1235681 (2014). doi:10.1126/science.1235681
Crispin, M., Stuart, D.I., Jones, E.Y.: Building meaningful models of glycoproteins. Nat. Struct. Mol. Biol. 14(5), 354 (2007). doi:10.1038/nsmb0507-354a. discussion 354–355
Doubet, S., Albersheim, P.: CarbBank. Glycobiology 2(6), 505 (1992)
Hashimoto, K., Goto, S., Kawano, S., Aoki-Kinoshita, K., Ueda, N., Hamajima, M., Kawasaki, T., Kanehisa, M.: KEGG as a glycome informatics resource. Glycobiology 16(5), 63R–70R (2006)
Raman, R., Venkataraman, M., Ramakrishnan, S., Lang, W., Raguram, S., Sasisekharan, R.: Advancing glycomics: implementation strategies at the consortium for functional glycomics. Glycobiology 16(5), 82R–90R (2006). doi:10.1093/glycob/cwj080
Lutteke, T., Bohne-Lang, A., Loss, A., Goetz, T., Frank, M., von der Lieth, C.: GLYCOSCIENCES.de: an internet portal to support glycomics and glycobiology research. Glycobiology 16(5), 71R–81R (2006)
von der Lieth, C., Freire, A., Blank, D., Campbell, M., Ceroni, A., Damerell, D., Dell, A., Dwek, R., Ernst, B., Fogh, R., Frank, M., Geyer, H., Geyer, R., Harrison, M., Henrick, K., Herget, S., Hull, W., Ionides, J., Joshi, H., Kamerling, J., Leeflang, B., Lutteke, T., Lundborg, M., Maass, K., Merry, A., Ranzinger, R., Rosen, J., Royle, L., Rudd, P., Schloissnig, S.: EUROCarbDB: an open-access platform for glycoinformatics. Glycobiology 21(4), 493–502 (2011)
Ranzinger, R., Frank, M., von der Lieth, C., Herget, S.: Glycome-DB.org: a portal for querying across the digital world of carbohydrate sequences. Glycobiology 19(11), 1563–1567 (2009)
Campbell, M.P., Peterson, R., Mariethoz, J., Gasteiger, E., Akune, Y., Aoki-Kinoshita, K.F., Lisacek, F., Packer, N.H.: UniCarbKB: building a knowledge platform for glycoproteomics. Nucleic Acids Res. 42(1), D215–D221 (2014). doi:10.1093/nar/gkt1128
Kailemia, M.J., Ruhaak, L.R., Lebrilla, C.B., Amster, I.J.: Oligosaccharide analysis by mass spectrometry: a review of recent developments. Anal. Chem. 86(1), 196–212 (2014). doi:10.1021/ac403969n
Novotny, M.V., Alley Jr., W.R., Mann, B.F.: Analytical glycobiology at high sensitivity: current approaches and directions. Glycoconj. J. 30(2), 89–117 (2013). doi:10.1007/s10719-012-9444-8
Both, P., Green, A.P., Gray, C.J., Sardzik, R., Voglmeir, J., Fontana, C., Austeri, M., Rejzek, M., Richardson, D., Field, R.A., Widmalm, G., Flitsch, S.L., Eyers, C.E.: Discrimination of epimeric glycans and glycopeptides using IM-MS and its potential for carbohydrate sequencing. Nat. Chem. 6(1), 65–74 (2014). doi:10.1038/nchem.1817
Li, H., Bendiak, B., Siems, W.F., Gang, D.R., Hill Jr., H.H.: Carbohydrate structure characterization by tandem ion mobility mass spectrometry (IMMS)2. Anal. Chem. 85(5), 2760–2769 (2013). doi:10.1021/ac303273z
Plasencia, M.D., Isailovic, D., Merenbloom, S.I., Mechref, Y., Novotny, M.V., Clemmer, D.E.: Resolving and assigning N-linked glycan structural isomers from ovalbumin by IMS-MS. J. Am. Soc. Mass Spectrom. 19(11), 1706–1715 (2008). doi:10.1016/j.jasms.2008.07.020
Fenn, L.S., McLean, J.A.: Structural resolution of carbohydrate positional and structural isomers based on gas-phase ion mobility-mass spectrometry. Phys. Chem. Chem. Phys. 13(6), 2196–2205 (2011). doi:10.1039/c0cp01414a
Harvey, D.J., Scarff, C.A., Crispin, M., Scanlan, C.N., Bonomelli, C., Scrivens, J.H.: MALDI-MS/MS with traveling wave ion mobility for the structural analysis of N-linked glycans. J. Am. Soc. Mass Spectrom. 23(11), 1955–1966 (2012). doi:10.1007/s13361-012-0425-8
Hofmann, J., Struwe, W.B., Scarff, C.A., Scrivens, J.H., Harvey, D.J., Pagel, K.: Estimating collision cross sections of negatively charged N-glycans using traveling wave ion mobility-mass spectrometry. Anal. Chem. 86(21), 10789–10795 (2014). doi:10.1021/ac5028353
Pagel, K., Harvey, D.J.: Ion mobility-mass spectrometry of complex carbohydrates: collision cross sections of sodiated N-linked glycans. Anal. Chem. 85(10), 5138–5145 (2013). doi:10.1021/ac400403d
Campbell, M., Hayes, C., Struwe, W., Wilkins, M., Aoki-Kinoshita, K., Harvey, D., Rudd, P., Kolarich, D., Lisacek, F., Karlsson, N., Packer, N.: UniCarbKB: putting the pieces together for glycomics research. Proteomics 11(21), 4117–4121 (2011)
Bush, M.F., Hall, Z., Giles, K., Hoyes, J., Robinson, C.V., Ruotolo, B.T.: Collision cross sections of proteins and their complexes: a calibration framework and database for gas-phase structural biology. Anal. Chem. 82(22), 9557–9565 (2010). doi:10.1021/ac1022953
Struwe, W.B., Benesch J.L., Harvey D.J., Pagel K.: Collision cross sections of high-mannose N-glycans in commonly observed adduct states – identification of gas-phase conformers unique to [M−H]− ions. Analyst (2015). doi:10.1039/C5AN01092F
Varki, A.: Essentials of Glycobiology, 2nd edn. Cold Spring Harbor Laboratory Press, Cold Spring Harbor (2009)
Harvey, D.J., Merry, A.H., Royle, L., Campbell, M.P., Dwek, R.A., Rudd, P.M.: Proposal for a standard system for drawing structural diagrams of N- and O-linked carbohydrates and related compounds. Proteomics 9(15), 3796–3801 (2009). doi:10.1002/pmic.200900096
Harvey, D.J., Merry, A.H., Royle, L., Campbell, M.P., Rudd, P.M.: Symbol nomenclature for representing glycan structures: extension to cover different carbohydrate types. Proteomics 11(22), 4291–4295 (2011). doi:10.1002/pmic.201100300
York, W.S., Agravat, S., Aoki-Kinoshita, K.F., McBride, R., Campbell, M.P., Costello, C.E., Dell, A., Feizi, T., Haslam, S.M., Karlsson, N., Khoo, K.H., Kolarich, D., Liu, Y., Novotny, M., Packer, N.H., Paulson, J.C., Rapp, E., Ranzinger, R., Rudd, P.M., Smith, D.F., Struwe, W.B., Tiemeyer, M., Wells, L., Zaia, J., Kettner, C.: MIRAGE: the minimum information required for a glycomics experiment. Glycobiology 24(5), 402–406 (2014). doi:10.1093/glycob/cwu018
Ranzinger, R., Aoki-Kinoshita, K.F., Campbell, M.P., Kawano, S., Lutteke, T., Okuda, S., Shinmachi, D., Shikanai, T., Sawaki, H., Toukach, P., Matsubara, M., Yamada, I., Narimatsu, H.: GlycoRDF: an ontology to standardize glycomics data in RDF. Bioinformatics 31(6), 919–925 (2015). doi:10.1093/bioinformatics/btu732
Acknowledgments
This work was supported by the Australian National eResearch Collaboration Tools and Resources project [NeCTAR RT016 to M.P.C] and Biotechnology and Biological Sciences Research Council (BBSRC) [BB/L017733/1 to W.S, D.J.H, J.L.P.B], the Free University Berlin and the Max Planck Society.
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Struwe, W.B., Pagel, K., Benesch, J.L.P. et al. GlycoMob: an ion mobility-mass spectrometry collision cross section database for glycomics. Glycoconj J 33, 399–404 (2016). https://doi.org/10.1007/s10719-015-9613-7
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DOI: https://doi.org/10.1007/s10719-015-9613-7