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Liquid Chromatography - Mass Spectrometry (LC-MS, TOF, GCMS)


General information about the facility.

  • Location:
    LC-MS, TOF: MR 1201.
    GCMS: MR 1021.
  • Staff:
    Dr. Lijia Yang: Phone:  (212) 650-6601, (212) 650-7774 (Lab)


LC-MS -  Federal $16/h. Commercial $40/h. CCNY $9/h.

GCMSFederal $7.5/h. Commercial $20/h. CCNY $6.50/h.

Facility Images

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Facility description

The 4000 Q TRAP™ LC/MS/MS System takes advantage of a number of mass spectrometry innovations to deliver unmatched quantitative and qualitative performance within a single system. The instrument combines the advanced features of Applied Biosystems/MDS SCIEX Linear Ion Trap (LIT) technology-including significantly higher injection and trapping efficiencies, greater ion capacity, and higher duty cycle—with the unequalled sensitivity of the leading triple quadrupole system.

The Waters Time-Of-Flight (TOF) Mass Spectrometer

The Waters time-of-flight (TOF) mass spectrometry facility in the Science Division of CCNY features an orthogonal acceleration time-of-flight (oa-TOF) mass analyzer, which provides an unique combination of speed, sensitivity, resolving power, dynamic range, and mass accuracy. It is ideal for both analysis and identification of molecules and ions in organic synthesis, pharmaceutical and biochemical study, and unknown compound discovery, which require exact mass measurement or high resolution mass spectroscopy (HRMS). It features:

  • Exact mass MS measurements: identify molecules using routine sub 3 ppm RMS mass measurements which give elemental composition information that can be used to identify analyte compounds;
  • High MS resolution: 12,000 FWHM which enables analyte peaks to be separated from interfering ions that might cause significant errors in exact mass determination
  • High sensitivity for achieving very low detection limits
  • High linear dynamic range, which allows experiments to be carried out across a range of concentration levels

Shimadzu GCMS-QP2010 Plus

The Shimadzu GCMS-QP2010 Plus is our most advanced gas chromatograph mass spectrometer. It features best-in-class scan speed and sensitivity. A new and improved ion source (patent pending) features more uniform temperature control, a new filament that resists deformity, and an expanded temperature range of 100 to 300°C. These features work together to offer users world-class sensitivity for 1pg of Octafluoronapthalene (OFN). A newly designed and patented technology called ASSP™ (Advanced Scan Speed Protocol) allows this GC-MS to scan at 20,000 u/sec without sensitivity loss or spectral distortion. The result is an instrument that is perfect for “Fast GC” or Comprehensive GC/MS (GC × GCMSq) analyses. Productivity and sample throughput can be dramatically increased.  The GCMS-QP2010 Plus comes equipped with a variety of new features and an expanded mass range (1.5 to 1090 Daltons). Combining these attributes with two and three times the sensitivity for Octafluoronapthalene (OFN) in Electron Impact (EI) and Negative Chemical Ionization (NCI) modes respectively makes the GCMS-QP2010 Plus the ideal instrument for characterizing complex organic mixtures in fields from toxicology to environmental monitoring to food and flavors sciences.

Selected Publications Using Data from the CCNY Mass Spectrometry Facility

  • Ondrej Hodek, Urs Jans, Lijia Yang, Tomas Krızek, Chlorpyrifos-methyl oxon hydrolysis and its monitoring by HPLC–MS/ MS, Monatshefte für Chemie - Chemical Monthly (2018) 149:1515–1519.
  • Wei Wei, Rama Kanwar Khangarot, Lothar Stahl, Cristina Veresmortean, Padmanava Pradhan, Lijia Yang, and Barbara Zajc. Generating Stereodiversity: Diastereoselective Fluorination and Highly Diastereoselective Epimerization of α‑Amino Acid Building Blocks. Org. Lett., 2018, 20 (12), pp 3574–3578.
  • Sakilam Satishkumar, Suresh Poudapally, Prasanna K. Vuram, Venkateshwarlu Gurram, Narender Pottabathini, Dellamol Sebastian, Lijia Yang, Padmanava Pradhan, Mahesh K. Lakshman, Pd-Catalyzed versus Uncatalyzed, PhI(OAc)2-Mediated Cyclization Reactions of N6-([1,1′-Biaryl]-2-yl)Adenine Nucleosides, ChemCatChem 2017, 9(21), 4058-4069.
  • Wenlin Huang, Olga Serra, Keyvan Dastmalchi, Liqing Jin, Lijia Yang, and Ruth E. Stark, Comprehensive MS and Solid-state NMR Metabolomic Profiling Reveals Molecular Variations in Native Periderms from Four Solanum tuberosum Potato Cultivars, J. Agric. Food Chem. 2017, 65(10), 2258-2274.
  • Hari K. Akula, Hariprasad Kokatla, Graciela Andrei, Robert Snoeck, Dominique Schols, Jan Balzarini, Lijia Yang and Mahesh K. Lakshman, Facile functionalization at the C4 position of pyrimidine nucleosides via amide group activation with (benzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate (BOP) and biological evaluations of the products, Org. Biomol. Chem.2017, 15(5), 1130-1139.
  • Basava, Vikram; Yang, Lijia; Pradhan, Padmanava; Lakshman, Mahesh K., A novel bis(pinacolato)​diboron-​mediated N-​O bond deoxygenative route to C6 benzotriazolyl purine nucleoside derivatives, Organic & Biomolecular Chemistry (2016), 14(29), 7069-7083.
  • Satishkumar, Sakilam; Vuram, Prasanna K.; Relangi, Siva Subrahmanyam; Gurram, Venkateshwarlu; Zhou, Hong; Kreitman, Robert J.; Montemayor, Michelle M. Martinez; Yang, Lijia; Kaliyaperumal, Muralidharan; Sharma, Somesh; Pottabathini, Narender; Lakshman, Mahesh K., Cladribine analogues via O6-​(benzotriazolyl) derivatives of guanine nucleosides, Molecules (2015), 20(10), 18437-18463.
  • Vijayendar R. Yedulla, Padmanava Pradhan, Lijia Yang and Mahesh K. Lakshman, Cycloaddition of Arynes and Cyclic Enol Ethers as a Platform for Access to Stereochemically Defined 1,2-Disubstituted Benzocyclobutenes, Eur. J. Org. Chem. 2015, 750-764.
  • Rakesh Kumar, Govindra Singh, Louis J. Todaro, Lijia Yang, Barbara Zajc, E- or Z-Selective synthesis of 4-fluorovinyl-1,2,3-triazoles with fluorinated second-generation Julia–Kocienski reagents, Org. Biomol. Chem. 2015, 13, 1536-1549.
  • Mahesh K. Lakshman, Manish K. Singh, Mukesh Kumar, Raghu Ram Chamala, Vijayender R. Yedulla, Domenick Wagner, Evan Leung, Lijia Yang, Asha Matin and Sadia Ahmad. Facile synthesis of 1-alkoxy-1H-benzo- and 7-azabenzotriazoles from peptide coupling agents, mechanistic studies, and synthetic applications. Beilstein J. Org. Chem. 2014, 10, 1919–1932.
  • Zhiwei Yin, Jinzhu Zhang, Jing Wu, Riana Green, Sihan Li and Shengping Zheng. Synthesis of o-chlorophenols via an unexpected nucleophilic chlorination of quinone monoketals mediated by N,N’-dimethylhydrazine dihydrochloride. Org. Biomol. Chem., 2014, 12, 2854.
  • Keyvan Dastmalchi, Qing Cai, Kevin Zhou, Wenlin Huang, Olga Serra, and Ruth E. Stark. Solving the Jigsaw Puzzle of Wound-Healing Potato Cultivars: Metabolite Profiling and Antioxidant Activity of Polar Extracts. J. Agric. Food Chem. 2014, 62, 7963−7975.
  • Chaoqi Chen, Jing Li, Peipei Chen, Rui Ding, Pengfei Zhang, Xiqing Li. Occurrence of antibiotics and antibiotic resistances in soils from wastewater irrigation areas in Beijing and Tianjin, China. Environmental Pollution 193 (2014) 94-101.
  • Zhiwei Yin, Jinzhu Zhang, Jing Wu, Che Liu, Kate Sioson, Matthew Devany, Chunhua Hu, and Shengping Zheng. Double Hetero-Michael Addition of N‑Substituted Hydroxylamines to Quinone Monoketals: Synthesis of Bridged Isoxazolidines. Org. Lett., Vol. 15, No. 14, 2013.
  • Mykola Seredych, Teresa J. Bandosz. Visible light photoactivity of sulfur and phosphorus doped nanoporous carbons in oxidation of dibenzothiophenes. Fuel 108 (2013) 846–849.
  • Dickens Saint-Hilaire, Urs Jans. Reactions of three halogenated organophosphorus flame retardants with reduced sulfur species. Chemosphere 93 (2013) 2033–2039.
  • Ravinder Kodela, Mitali Chattopadhyay, and Khosrow Kashfi. NOSH-Aspirin: A Novel Nitric Oxide−Hydrogen Sulfide-Releasing
    Hybrid: A New Class of Anti-inflammatory Pharmaceuticals. ACS Med. Chem. Lett. 2012, 3, 257−262.
  • Lijia Yang, Xiqing Li, Pengfei Zhang, Michael E. Melcer, Youxian Wu and Urs Jans. Concentrations of DDTs and dieldrin in Long Island Sound sediment. J. Environ. Monit., 2012, 14, 878–885.
  • Ka Wing Lo, Sumon C. Saha-Roy, Urs Jans. Investigation of the reaction of hexabromocyclododecane with polysulfide and bisulfide in methanol/water solutions. Chemosphere 87 (2012) 158–162.
  • Sherry Zhao, Pengfei Zhang, John Crusius, Kevin D. Kroegerc and John F. Bratton. Use of pharmaceuticals and pesticides to constrain nutrient sources in coastal groundwater of northwestern Long Island, New York, USA. J Environ Monit. 2011 May; 13(5):1337-43.

  • Dickens Saint-Hilaire, Kamal Z. Ismail, Urs Jans. Reaction of tris(2-chloroethyl)phosphate with reduced sulfur species. Chemosphere 83 (2011) 941–947.

  • Mykola Seredych, Monmon Khine, and Teresa J. Bandosz. Enhancement in Dibenzothiophene Reactive Adsorption from Liquid Fuel via Incorporation of Sulfur Heteroatoms into the Nanoporous Carbon Matrix. ChemSusChem 2011, 4, 139 – 147.

  • Mykola Seredych, Teresa J. Bandosz. Investigation of the enhancing effects of sulfur and/or oxygen functional groups of nanoporous carbons on adsorption of dibenzothiophenes. Carbon 49 2011 1216-1224.

  • Mykola Seredych and Teresa J. Bandosz. Adsorption of Dibenzothiophenes on Nanoporous Carbons: Identification of Specific Adsorption Sites Governing Capacity and Selectivity. Energy Fuels 2010, 24, 3352–3360.