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Introduction & Overview

Mass spectrometry (MS) is a powerful analytical technique that is used to determine the molecular mass of molecules by measuring the mass-to-charge (m/z) ratio of respective ions. The MS principle consists of ionizing neutral molecules to generate charged molecules or fragment ions which are further separated according to their m/z values and finally detected. The application of mass spectrometry to drugs, synthetic organic molecules, active pharmaceutical ingredients (APIs), natural products, peptides, proteins, carbohydrates, nucleic acids etc are well known.

The hyphenation of liquid chromatography (LC), photodiode-array UV-Vis detector with the atmospheric pressure ionization mass spectrometry (APIMS) has proven to be an efficient on-line system for establishing the identity of organic compounds in any given test samples. Broad range of molecules such as volatile, non-volatile, ionic, etc. can be analyzed at the expense of very low amount of sample. High resolution mass spectrometer with tandem mass spectrometric (MS/MS) analysis is proficient to identify unknown compounds, to quantify known compounds and to elucidate the structure of molecules. Mass Spectrometry Facility at CDRI consists of state-of-the-art mass spectrometers that include ESI/APCI quad, ESI/APCI ion trap, Orbitrap MS and MALDI-TOF/TOF.

Capabilities, expertise and services offered

Small molecules analysis:

  • ESI/APCI-MS analysis.
  • Qualitative LC/MS method development and analysis.
  • Quantitative LC/MS method development, validation and analysis.
  • High resolution mass spectral analysis (HRMS)

 Protein and peptide analysis:

Matrix Assisted Laser Desorption Ionization mass spectrometer (MALDI-MS) is an analytical tool for the analysis of intact protein and peptide or bio molecules

  • Proteomics service, MALDI-MS, MS/MS and identification of proteins using database.

 Trainings:

We offer training programs to motivate interested post graduate students and research fellows with an opportunity to spend valuable time in gaining practical experience in the field of mass spectrometry. We offer three different time-bound training programs given below: Course fee may varybased on duration and technique

S. No.Training onDuration
1.LC-MS data interpretation1 week
2.LC-MS/MS data interpretation1 week
3.LC-MS & LC-MS/MS Sample preparation, qualitative, quantitative analysis and data interpretation3 months

 Workshops:

Awareness workshops are being held every year in CSIR-CDRI, Lucknow to keep the users informed about the scientific advancements in these areas. This programme also provides a platform for younger generation to explore the application of sophisticated instruments for their research work.

 Sponsored projects:

  • We take-up sponsored projects to analyze small molecules, present in the complex matrices, qualitative and quantitative analysis of targeted compounds (phytopharmaceuticals), generation of mass spectrum fingerprint of herbal products.
  • Standardization of Herbal Medicines (HMs), MS based phytochemical analysis and quantification of phytochemicals for marker identification, quality control, authentication of raw plants and their formulations.
Major Equipment and Instrumentation

Thermo Finnigan LCQ Advantage Max Ion Trap Mass SpectrometerHyphenated with Thermo Finnigan Surveyor HPLC system.

Ionization Mode: ESI & APCI
Mass Range: m/z 50-2000 Th 
Mass accuracy: Unit Mass (Da), MS and MS/MS standard to MSn (n = 1 to 5).

 
 

Thermo Scientific Orbitrap Velos ProTM, Hyphenated with Thermo Scietific Surveyor HPLC system.



Ionization Mode: ESI and APCI,
Mass Range: m/z 50-2000 and m/z 200-4000
Mass Resolution: > 100,000 at m/z 400
Mass accuracy: < 3 ppm RMS with external calibration and < 1 ppm RMS using internal calibration
Multiple fragmentation techniques: CID and HCD, Parallel MS and MSn analysis

 

AB Sciex 4000 Q-Trap-Mass Spectrometer, Hyphenated with a Waters Acquity UPLC™ system.



Ionization Mode: ESI and APCI,
Mass Range:m/z 3-2800 (quadrupole mode) and m/z 50-2800 Linear Ion Trap mode.
Mass Resolution: >3000 at m/z 609 at 250 amu/sec Enable high-sensitivity, full-scan MS, MS/MS and MS3 spectra with high selectivity from true triple quadrupole precursor ion (PI) and neutral loss (NL) scans.

Waters Xevo TQD triple Quadrupole mass spectrometer, Hyphenated with a Waters alliance HPLC/ELSD system.



Ionization Mode: ESI and APCI
Mass Range:m/z 5-2000 Th
Mass Resolution:Unit Mass (Da), Fullscan MS and MS/MS, SIR & MRM

   

AB Sciex 4800 plus MALDI TOF-TOF Analyzer.



Ionization Mode: Matrix-assisted laser desorption/ionization,
MS and MS/MS (Reflectron), MS (Linear), High throughput analysis.


Charges & Sample requirement

Charges & Sample requirement

Application Form

Faculty & Technical Personnel


Research Fellows:
  • Mr. Yatendra (JRF)

Selected Publications:
  1. Sunil Kumar, Awantika Singh, Brijesh Kumar, Bikarma Singh, Lal Bahadur, Mohan Lal., 2017. Simultaneous quantitative determination of bioactive terpene indole alkaloids in ethanolic extracts of Catharanthus roseus (L.) G. Don by ultra high performance liquid chromatography-tandem mass spectrometry. Journal of Pharmaceutical and Biomedical Analysis. Accepted.

  2. Sunil Kumar, Awantika Singh, Arun K. Kushwaha, Rinkey Tiwari, Lal B. Chaudhary, Mukesh Srivastava, Brijesh Kumar., 2017. UPLC-ESI-QqQLIT-MS/MS method for quantitative determination of phytochemicals in ethanolic extracts of different parts of eight Ficus species. Development and validation. International Journal of Food Properties. Accepted

  3. Sunil Kumar, Vikas Bajpai, Awantika Singh, Brijesh Kumar., 2017. Identification, characterization and distribution of terpene indole alkaloids in ethanolic extracts of Catharanthus roseus using high‐performance liquid chromatography/electrospray ionization quadrupole time‐of‐flight tandem mass spectrometry and the study of their geographical variation. Rapid communication in mass spectrometry, DOI: 10.1002/rcm.8037.Accepted.

  4. Pandey, R., Kumar, B., Meena, B., Srivastava, M., Mishra, T., Tiwari, V., Pal, M., Nair, N.K., Upreti, D.K. and Rana, T.S., 2017. Major bioactive phenolics in Bergenia species from the Indian Himalayan region: Method development, validation and quantitative estimation using UHPLC-QqQLIT-MS/MS. PloS one, 12(7).

  5. Kumar, S., Singh, A., Bajpai, V., Singh, B. and Kumar, B., 2017. Development of a UHPLC–MS/MS method for the quantitation of bioactive compounds in Phyllanthus species and its herbal formulations. Journal of Separation Science.

  6. Bajpai, V., Kumar, S., Singh, A., Bano, N., Pathak, M., Kumar, N., Misra-Bhattacharya, S. and Kumar, B., 2017. Metabolic fingerprinting of dioecious Tinospora cordifolia (Thunb) Miers stem using DART TOF MS and differential pharmacological efficacy of its male and female plants. Industrial Crops and Products, 101, pp.46-53.

  7. Joshi T, Jain T, Mahar R, Singh SK, Srivastava P, Shukla SK, Mishra DK, Bhatta RS, Banerjee D, Kanojiya S. 2017. Pyranocarbazoles from Murraya koenigii (L.) Spreng. as antimicrobial agents. Nat Prod Res. Apr 03:1-5. Epub 2017/04/04.

  8. Gupta A, Kumar A, Kumar D, Nandan S, Shankar K, Varshney S, Rajan S, Srivastava A, Gupta S, Kanojiya S, et al. 2017. Ethyl acetate fraction of Eclipta alba: a potential phytopharmaceutical targeting adipocyte differentiation. Biomedicine & Pharmacotherapy.96:572-583.

  9. Pandey A, Swarnkar V, Pandey T, Srivastava P, Kanojiya S, Mishra DK, Tripathi V. 2016. Transcriptome and Metabolite analysis reveal candidate genes of the cardiac glycoside biosynthetic pathway from Calotropis procera. Sci Rep. Oct 05;6:34464. Epub 2016/10/06.

  10. Joshi Trapti, Mahar Rohit, Singh Sumit K., Srivastava Piush, Shukla Sanjeev K., Mishra Dipak K., Bhatta R.S., Kanojiya S. 2015. Quantitative Analysis of Bioactive Carbazole Alkaloids in Murraya koenigii. Natural Product Communications.10:293-295. Epub 295.