Identifying Data 2018/19
Subject (*) Analytical Mass Spectrometry of Organic Compounds Code 610509126
Study programme
Mestrado Universitario en Investigación Química e Química Industrial (Plan 2017)
Descriptors Cycle Period Year Type Credits
Official Master's Degree Yearly
First Optional 3
Language
Spanish
Teaching method Face-to-face
Prerequisites
Department Química
Coordinador
Muniategui Lorenzo, Soledad
E-mail
soledad.muniategui@udc.es
Lecturers
Muniategui Lorenzo, Soledad
E-mail
soledad.muniategui@udc.es
Web
General description Materia da Especialidade de Técnicas Analíticas Avanzadas. A espectrometría de masas é unha ferramenta indispensable en calquera laboratorio de análise química, en particular naquelos que desenvolven a súa actividade nas áreas de seguridade alimentaria, medioambiente, clínica, etc., utilizándose para a identificación e determinación cuantitativa de especies de interese. Esta materia pretende que o alumno profunde nos coñecementos das técnicas instrumentais de análise adquiridas durante o grao, e familiarícese coas tendencias recentes en relación as fontes de ionización, analizadores de masas e sistemas de extracción de información.

Study programme competencies
Code Study programme competences
A3 Innovate in the methods of synthesis and chemical analysis related to the different areas of chemistry
A6 Design processes involving the treatment or disposal of hazardous chemicals
A7 Operate with advanced instrumentation for chemical analysis and structural determination.
A9 Promote innovation and entrepreneurship in the chemical industry and in research.
B2 Students should apply their knowledge and ability to solve problems in new or unfamiliar environments within broader (or multidisciplinary) contexts related to their field of study.
B4 Students should be able to communicate their conclusions, and the knowledge and the reasons that support them to specialists and non-specialists in a clear and unambiguous manner
B5 Students must possess learning skills to allow them to continue studying in a way that will have to be largely self-directed or autonomous.
B7 Identify information from scientific literature by using appropriate channels and integrate such information to raise and contextualize a research topic
B9 Demonstrate ability to analyze, describe, organize, plan and manage projects
B10 Use of scientific terminology in English to explain the experimental results in the context of the chemical profession
B11 Apply correctly the new technologies to gather and organize the information to solve problems in the professional activity.
C1 CT1 - Elaborar, escribir e defender publicamente informes de carácter científico e técnico
C3 CT3 - Traballar con autonomía e eficiencia na práctica diaria da investigación ou da actividade profesional.
C4 CT4 - Apreciar o valor da calidade e mellora continua, actuando con rigor, responsabilidade e ética profesional.

Learning aims
Learning outcomes Study programme competences
Acquisition of knowledge on aspects of analytical interest on mass spectrometry for the study of organic compounds. Acquisition of the characteristics and uses of the isotope dilution. Acquisition of knowledge related to studies of degradation and metabolomics. AC3
AC6
AC7
AC9
BC2
BC4
BC5
BC7
BC9
BC10
BC11
CC1
CC3
CC4

Contents
Topic Sub-topic
1. INTRODUCTION TO ANALYTICAL MASS SPECTROMETRY.
Descrición básica da instrumentación: O espectrómetro de masas. Sistemas de vacío. Etapas na xeración dun espectro de masas. Calibración de masas e axuste do espectrómetro de masas. Conceptos básicos en espectrometría de masas: Distribucións isotópicas: masas promedio e monoisótopicas. Cálculo do defecto de masas. Avaliación da exactitude e resolución: masas nominais fronte a exactas. Cargas simples e múltiples.
2. IONIZATION TECHNIQUES. Fundamentals, operations and instrumentation

Introdución: dependencia analito-fonte de ionización-analizador de masas. Clasificación das técnicas de ionización. Ionización Electrónica (EI). Ionización Química (CI). Selección de gases reactivos e mecanismos de ionización. Ionización a P atmosférica: ESI, APCI, APPI. Desorción Láser asistida por matriz (MALDI). Outras técnicas de ionización: DESI, DART.
3. MASS ANALYZERS. Operational principles, instrumentation and basic characteristics


Principais analizadores. Cuadrupolos. Trampas de iones. Sistemas de tempo de voo (TOF). De sector magnético. Orbitrap. Analizadores en tándem. Analizadores híbridos en tándem.
4. HYBRIDIZATION WITH CHROMATOGRAPHIC TECHNIQUES
Aspectos técnicos. Obtención e tratamento de datos. Adquisición. Modos de operación. Aplicacións da hibridación GC-MS e GC-MS/MS. Aplicacións da hibridación LC-MS e LC-MS/MS. Análise cuantitativa. Dilución isotópica. Identificación de metabolitos e produtos de transformación. Deconvolución espectral.

Planning
Methodologies / tests Competencies Ordinary class hours Student’s personal work hours Total hours
Guest lecture / keynote speech A3 A6 A7 A9 B5 C1 C3 C4 12 36 48
Seminar A7 B2 B4 B5 B7 B9 B10 B11 C1 C3 C4 7 18 25
 
Personalized attention 2 0 2
 
(*)The information in the planning table is for guidance only and does not take into account the heterogeneity of the students.

Methodologies
Methodologies Description
Guest lecture / keynote speech Clases presenciais teóricas. Clases expositivas (utilización de pizarra, computador, canón), complementadas coas ferramentas propias da docencia virtual.
Estudo persoal baseado nas diferentes fontes de información
Realización das diferentes probas para a verificación da obtención tanto de coñecementos teóricos como prácticos e a adquisición de habilidades e actitudes
Seminar Seminarios realizados con profesorado propio do Máster, ou con profesionais convidados da empresa, a administración ou doutras universidades. Sesións interactivas relacionadas coas distintas materias con debates e intercambio de opinións cos alumnos.
Resolución de exercicios prácticos (problemas, cuestiones tipo test, interpretación e procesamento da información, avaliación de publicacións científicas, etc.)
Realización de traballos, tanto individualmente, como en grupo, sobre contidos da materia
Exposición oral de traballos, informes, etc., incluíndo debate con profesores e alumnos.

Personalized attention
Methodologies
Seminar
Description
Tutorías individuales o en grupo reducido.

Assessment
Methodologies Competencies Description Qualification
Seminar A7 B2 B4 B5 B7 B9 B10 B11 C1 C3 C4 Resolución de problemas e casos prácticos
Realización de traballos e informes escritos
Avaliación continua durante o curso
25
Guest lecture / keynote speech A3 A6 A7 A9 B5 C1 C3 C4 Examen final 75
 
Assessment comments

Sources of information
Basic
Bibliografía recomendada Básica (manuais de referencia) C. Dass, Fundamentals of Contemporary Mass Spectrometry, Wiley, 2007 R. M. Smith, K.L. Busch, Understanding Mass Spectra- A basic Approach, John Wiley & Sons, 1999. R.K. Boyd, C. Basic, R.A. Behen, Trace Quantitative Analysis by Mass Spectrometry, John Wiley and Sons, 2008 Complementaria E. de Hoffmann, V. Stroobant, Mass Spectrometry: Principles and Applications, 3a ed., Wiley, 2007 A. E. Ashcroft, Ionization Methods in Organic Mass Spectrometry, Royal Society of Chemistry, 1997 J. H. Gross, Mass Spectrometry: a textbook, Springer, 2005 K. Downard, Mass Spectrometry: a Foundation Course, RSC, 2004 B. Ardrey, Liquid Chromatography-Mass spectrometry: an introduction, Wiley, 2003 R. Willoughby, E. Sheehan, S. Mitrovich, A global view of LC/MS, Global View Publishing, 2nd edition, 2002 M. C. McMaster, GC/MS, A Practical User´s Guide, John Wiley & Sons, 2008 W.M.A. Niessen, Liquid Chromatography-Mass spectrometry, Taylor and Francis, 2007
Complementary


Recommendations
Subjects that it is recommended to have taken before

Subjects that are recommended to be taken simultaneously
Sample Preparation Techniques /610509128
Chromatography and Analytical Separation Techniques /610509125

Subjects that continue the syllabus

Other comments
The knowledge compulsory are those that are established as basic requirements for access this Master. It is advisable to have basic knowledge about Mass spectrometry, acquired in the different subjects that give access to the present Master. It is also recommended to study the subject of "Chromatography and Separation Analytical Techniques"


(*)The teaching guide is the document in which the URV publishes the information about all its courses. It is a public document and cannot be modified. Only in exceptional cases can it be revised by the competent agent or duly revised so that it is in line with current legislation.