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, pesticides, peptides, proteins, carbohydrates, nucleic acids, organometallic compounds 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, ESI QTOF, MALDI-TOF/TOF, Orbitrap and DART-MS.

Capabilities, expertise and services offered

 Small molecules analysis:

  • LC/MS method development and analysis of compounds present in complex mixtures
  • Qualitative and quantitative analysis of targeted compounds
  • LC/MS method development and validation
  • High resolution mass spectral analysis

 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 includes in-gel (2D gel) proteolytic digestion, 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 vary based on duration and technique.

S. No.Training onDuration
1.LC-MS & LC-MS/MS data interpretation2 week
2.LC-MS & LC-MS/MS Sample preparation, qualitative, quantitative analysis and data interpretation3 months

 Workshops:

Awareness workshops are being held every year in SAIF-CDRI 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), drug degradation studies, proteomics, generation of mass spectrum database (Library) of small molecules
  • 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.

The resources of the MS facility and the expertise can be accessed on a fee-for-service basis. For routine analysis please visit www.saiflucknow.org with your sample requests. For queries regarding these submissions you may contact saif@cdri.res.in.

Major Equipment and Instrumentation

Ionization Mode: ESI and APCI, Mass Range: m/z 50-2000 Th,
Mass accuracy: Unit Mass (Da), MS and MS/MS standard to MSn (n = 1 to 10), Hyphenated with Thermo Finnigan 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, Hyphenated with Thermo Scietific Surveyor HPLC system.

 


Ionization Mode: Multi mode source-ESI/ESCi,
Mass Range: m/z 50-2000 Th,
Mass accuracy: Unit Mass (Da), Hyphenated with Waters ultrahigh performance liquid chromatography (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, Hyphenated with a Waters Acquity UPLC™ system.




Ionization Mode: ESI and APCI, Mass Range : m/z 25-3000 Da,
Mass resolution: > 10000,
1–2 ppm MS and 2–4 ppm MS/MS typical mass accuracy, Hyphenated with an Agilent 1200 HPLC system.



Accu TOF JMS-T100LC atmospheric pressure ionization time-of-flight mass spectrometer fitted with a Direct Analysis in Real Time (DART) ion source,
Mass Range: up to m/z 1000,
Mass Resolution: up to 6000, MS, accurate mass

   


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


Charges & Sample requirement

Click here to go Charges & Sample requirement page

Faculty & Technical Personnel


Research Fellows:
  • Ms. Preeti Chandra (SRF)
  • Mr. Vikas Bajpai (SRF)
  • Ms. Awantika Singh (SRF)
  • Ms. Renu Pandey (SRF)

Selected Publications:
  1. Vikas Bajpai, Awantika Singh, Preeti Chandra, M. P. S. Negi, Nikhil Kumar and Brijesh Kumar*. Analysis of phytochemical variations in dioecious Tinospora cordifolia stems using HPLC/QTOF MS/MS and UPLC/QqQLIT-MS/MS Accepted Phytochem. Anal. 2016, DOI 10.1002/pca.2601.

  2. Awantika Singh, Vikas Bajpai, Sunil Kumar, Kulwant Rai Sharma, Brijesh Kumar*. Profiling of gallic and ellagic acid derivatives in different plant part Terminalia arjuna by HPLC-ESI-QToF-MS/MS. Accepted Natural Prodect Communication, 2016.

  3. Sunil Kumar, Awantika Singh, Vikas Bajpai and Brijesh Kumar*. Identification, characterization and distribution of monoterpene indole alkaloids in Rauwolfia species by Orbitrap Velos Pro mass spectrometer, Journal of Pharmaceutical and Biomedical Analysis 2016, 118, 183–194.

  4. Renu Pandey • Preeti Chandra • Brijesh Kumar*• Bhupender Dutt • Kulwant Rai Sharma. A rapid and highly sensitive method for simultaneous determination of bioactive constituents in leaf extracts of six Ocimum species using ultra high performance liquid chromatography-hybrid linear ion trap triple quadrupole mass spectrometry. Analytical methods 12/2015, DOI:10.1039/C5AY01055A.

  5. Preeti Chandra • Renu Pandey • Brijesh Kumar*• Mukesh Srivastva • Praveen Pandey • Jayanta Sarkar • Pratap Bhim Singh. • Quantification of multianalyte by UPLC–QqQ LIT –MS/MS and in-vitro anti-proliferative screening in Cassia species. Industrial Crops and Products 12/2015, 76:1133-1141.

  6. R. Pandey • P. Chandra • M. Srivastava • D. K. Mishra • and Brijesh Kumar*• Simultaneous Quantitative Determination of Multiple Bioactive Markers in Ocimum sanctum Obtained from Different Locations and its Marketed Herbal Formulations Using UPLC– ESI/MS/MS Combined with Principal Component Analysis. Phytochemical Analysis 12/2015, 26(6).

  7. Renu Pandey• Preeti Chandra• and Brijesh Kumar* • Mukesh Srivastva • A.P. Anu Aravind• P.S. Shameer • K.B. Rameshkumar. •Simultaneous determination of multi-class bioactive constituents for quality assessment of Garcinia species using UHPLC–QqQLIT–MS/MS. Industrial Crops and Products 10/2015; 77:861-872.

  8. Preeti Chandra • Renu Pandey • Mukesh Srivastva • K. B. Ramesh Kumar • and Brijesh Kumar*. Quantitative determination of chemical constituents of Piper spp. using UPLC–ESI–MS/MS. Industrial Crops and Products 08/2015; 76(2015):967-976.

  9. Preeti Chandra • Renu Pandey • Mukesh Srivastva • and Brijesh Kumar*•Quality Control Assessment of Polyherbal Formulation Based on a Quantitative Determination Multimarker Approach by Ultra High Performance Liquid Chromatography with Tandem Mass Spectrometry using Polarity Switching combined with Multivariate Analysis. Journal of Separation Science 07/2015; 38(18).

  10. Sunil Kumar • Vikas Bajpai • Awantika Singh • S. Bindu • Mukesh Srivastava • K. B. Ramesh Kumar • and Brijesh Kumar* • Rapid fingerprinting of Rauwolfia species using direct analysis in real time mass spectrometry combined with principal component analysis for their discrimination. Analytical methods, 06/2015, 7(14).

  11. Vikas Bajpai • Awantika Singh • Kamal Ram Arya • Mukesh Srivastatva • and Brijesh Kumar*. Rapid screening for the adulterants of Berberis aristata using direct analysis in real-time mass spectrometry and principal component analysis for discrimination. Food Additives and Contaminants - Part A Chemistry, Analysis, Control, Exposure and Risk Assessment 03/2015, 32(6).

  12. A. Singh, V. Bajpai, S. Kumar, K. R. Arya, K. R. Sharma, and B. Kumar. Quantitative determination of isoquinoline alkaloids and chlorogenic acid in Berberis species using ultra high performance liquid chromatography with hybrid triple quadrupole linear ion trap mass spectrometetry. Journal of separation science. (DOI 10.1002/jssc.201500063) (2015).

  13. Singh, S. Kumar, T. J. Reddy, K. B. Rameshkumar, and B. Kumar. Screening of tricyclic quinazoline alkaloids in the alkaloidal fraction of Adhatoda beddomei and Adhatoda vasica leaves by high performance liquid chromatography/electrospray ionization quadrupole time of flight tandem mass spectrometry. Rapid Communications in Mass Spectrometry, 2015, 29 (6), 485-496. (DOI: 10.1002/rcm.7126)

  14. Singh, S. Kumar, V. Bajpai, T. J. Reddy, K. B. Rameshkumar, and B. Kumar. Structural characterization of flavonoid C and O glycosides in an extract of Adhatoda vasica leaves by liquid chromatography with quadrupole time of flight mass spectrometry. Rapid Communications in Mass Spectrometry, 2015 29(12), 1095-1106. (DOI: 10.1002/rcm.7202)

  15. S. Kumar, P. Chandra, V. Bajpai, A. Singh, M. Srivastava, D. K. Mishra, and B. Kumar. Rapid qualitative and quantitative analysis of bioactive compounds from Phyllanthus amarus using LC/MS/MS techniques. Industrial Crops and Products, 2015, 69, 143-152. (dx.doi.org/10.1016/j.indcrop.2015.02.0120926-6690).

  16. R. Pandey, K. B. Ramesh Kumar, B. Kumar (2015). Ultra high performance liquid chromatography tandem mass spectrometry method for the simultaneous determination of multiple bioactive constituents in fruit extracts of Myristica fragrans and its marketed polyherbal formulations using a polarity switching technique. Journal of separation science. 38, 1277-1285. (Impact factor: 2.7) (DOI 10.1002/jssc.201401297)

  17. R. Pandey, P. Chandra, K. R. Arya, B. Kumar (2014) Development and validation of an ultra high performance liquid Chromatography electrospray ionization tandem mass spectrometry method for the simultaneous determination of selected flavonoids in Ginkgo biloba, J. Sep. Sci., 37, 3610–3618. (DOI 10.1002/jssc.201400853).

  18. A.Singh, V. Bajpai, M. Srivastava, K. R. Arya and B. Kumar (2014). "Rapid profiling and structural characterization of bioactive compounds and their distribution in different parts of Berberis petiolaris Wall. ex G. Don applying hyphenated mass spectrometric techniques." Rapid communications in mass spectrometry 28(19): 2089-2100. (DOI: 10.1002/rcm.7001).

  19. Y.S. Chhonker, H. Chandasana, D. Kumar, S.K. Mishra, S. Srivastava, V.M. Balaramnavar, A.N. Gaikwad, S. Kanojiya (2014), A.K. Saxena, R.S. Bhatta, Pharmacokinetic and metabolism studies of rohitukine in rats by high performance liquid-chromatography with tandem mass spectrometry. Fitoterapia, 97, 34-42.

  20. Rakesh Kumar Asthana, Rasna Gupta, Nidhi Agrawal, Atul Srivastava, Upma Chaturvedi, Sanjeev Kanojiya (2014), Ashok Kumar Khanna, Gitika Bhatia, V.L. Sharma, Evaluation of Antidyslipidemic Effect of Mangiferin and Amarogentin from Swertia Chirayita Extract in HFD Induced Charles Foster Rat Model and In Vitro Antioxidant Activity and their Docking Studies. International Journal of Pharmaceutical Sciences and Research, 5, 3734-3740.

  21. S.U. Dighe, S. Mukhopadhyay, S. Kolle, S. Kanojiya(2015), S. Batra, Angewandte Synthesis of 3,4,5-Trisubstituted Isoxazoles from Morita–Baylis–Hillman Acetates by an NaNO2/I2-Mediated Domino Reaction.Chemie International Edition, 54, 10926-10930.

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

  23. K. Khandelwal, S.D. Pachauri, A. Arya, V.K. Pawar, T. Joshi, P. Dwivedi, H. Ahmad, B. Singh, K. Sharma, S. Kanojiya(2015), M.K. Chourasia, A.K. Saxena, A.K. Dwivedi, Improved oral bioavailability of novel antithrombotic S002-333 via chitosan coated liposomes: a pharmacokinetic assessment. RSC Advances, 5, 39168-39176.

  24. S. Singh, T. Joshi, S. Kanojiya(2015), V. Tripathi, D. Mishra, Callus culture and in vitro biosynthesis of echitamine from Alstonia scholaris (L.) R. Br. Plant Cell, Tissue and Organ Culture (PCTOC), 120, 367-372.

  25. 3′-Amino-5′-carboxymethyl-3′,5′-dideoxy nucleosides for the synthesis of fully amide-linked RNA mimics. Yashoda Krishna Sunkari, Chandan Pal, Thota Jagadeshwar Reddy, and Tushar Kanti Chakraborty. Tetrahedron, 2014, 70 (35), 5455.

  26. Characterization of stress degradation products of mirabegron using UPLC-QTOF-MS/MS and in silico toxicity predictions of its degradation products. Pradipbhai D. Kalariya, Mahesh Sharma, Prabha Garg, Jagadeshwar Reddy Thota, Srinivas Ragampeta and M. V. N. Kumar Talluri. RSC Adv., 2015, 5, 31024.

  27. Synthesis of 3 Sulfonylamino Quinolines from 1 (2-Aminophenyl) Propargyl Alcohols through a Ag(I)-Catalyzed Hydroamination, (2 +3) Cycloaddition, and an Unusual Strain-Driven Ring Expansion. Yalla Kiran Kumar, Gadi Ranjith Kumar, Thota Jagadeshwar Reddy, Balasubramanian Sridhar, and Maddi Sridhar Reddy. Org. Lett., 2015, 17, 2226.

  28. Protection against filarial infection by 45–49 kDa molecules of Brugia malayi via IFN- γ-mediated iNOS induction. Shiv K. Verma, Sujith K. Joseph, Richa Verma, Vikas Kushwaha, Naveen Parmar,Pawan K. Yadav, Jagadeshwar Reddy Thota, Susanta Kar, P. Kalpana Murthy. Vaccine, 2015, 33, 527.

  29. Pd-Catalysed Isocyanide Assisted Reductive Cyclization of 1-(2-Hydroxyphenyl)-Propargyl Alcohols for 2-Alkyl/Benzyl Benzofurans and their Useful Oxidative Derivatization. Rajesh Manda, Nuligonda Thirupathi, Thota Jagadeshwar Reddy, Sanjeev Kanojiya, and Maddi Sridhar Reddy. J. Org. Chem., 2015, 80 (24), 12311.

  30. Palladium(II)-Catalyzed Sequential Aminopalladation and Oxidative Coupling with Acetylenes/Enones: Synthesis of Newly Substituted Quinolines from 2-Aminophenyl Propargyl Alcohols. Nuligonda Thirupathi, Surendra Puri, Thota Jagadeshwar Reddy, Balasubramanian Sridharc and Maddi Sridhar Reddy. Advanced Synthesis & Catalysis. 2016, 358 (2), 303.
  31. Proteomic discovery of MNT as a novel interacting partner of E3 ubiquitin ligase E6AP and a key mediator of myeloid differentiation. Isha Kapoor, Jitendra Kanaujiya, Yogesh Kumar, J T Reddy, Dr. M. L. B. Bhatt, Naibedya Chattopadhyay, Sabyasachi Sanyal and Arun Kumar Trivedi. Oncotarget. 2016, 7(7), 7640.