Retrieving compound identity by LC-MS-MS technology

Expert Lecturer: Dr. Private: Wilfried Niessen
SKU: 21215B
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This course provides knowledge for structure elucidation of small molecules (drugs, pesticides, natural products, etc.) by combined liquid chromatography–tandem mass spectrometry (LC–MS–MS). We study the fragmentation of positively and negatively charged even-electron ions in MS–MS, and discuss identification strategies, both from data-acquisition and from data-processing point of view. Next to lectures and time for questions and discussion, the Course...Continue reading

This course provides knowledge for structure elucidation of small molecules (drugs, pesticides, natural products, etc.) by combined liquid chromatography–tandem mass spectrometry (LC–MS–MS). We study the fragmentation of positively and negatively charged even-electron ions in MS–MS, and discuss identification strategies, both from data-acquisition and from data-processing point of view. Next to lectures and time for questions and discussion, the Course provides exercises in order to practice spectral interpretation.

The course consists of five daily sessions. Each session consists of:

  • a maximum of 3 hours of online presentations and discussion
  • at maximum 1 hour of homework to work on interpretation exercises (except after the last session). The homework is an essential part of the course!

The exercises should be worked on between the online sessions with great care and attention as if you would be in a classroom with the teacher present. One should divide time over the various exercises and not spend more than 1 hour in total!

Each session consists of:

  • An interactive discussion on the exercises of the previous session (except in the first one).
  • Two or three presentations, presentations can be freely interrupted for questions and/or discussions. Just attract my attention.
  • Short interactive exercises during the presentations.
  • Two 10 min breaks between the parts of the online session (to get coffee and to fulfill other
    Needs).

The course manual contains:

  • Copies of (most of) the visual material shown during the course
  • Additional (supplemental) material which deepens the course material and provides additional information at some points, but which cannot be discussed because of time limitations
  • A set of exercises, which will be used during the course.

The course manual is in English

Recording of the online sessions in whatever way or form is not permitted.
Reproducing or sharing the course material and/or the online sessions is not permitted.

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Dates:  Coming soon.
The course will be scheduled based on the level of interest

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    Course location: Virtual Course
    Duration: 5-Day Course
    Hours: 10:00 - 13:00
    Credits: 1
    Course Language: English

    Course price: 4,500 NIS + VAT

    Have a question? We have the answer

    Issues to be covered

    Online session 1 Monday 19 July:

    • Introduction. Information from MS spectra: nominal and accurate mass, mass defect, adduct ions, multiply-charged ions
    • Isotopes
    • High-resolution mass spectrometry. Accurate m/z and elemental composition

    Offline homework 1: Exercises.

    Online session 2 Tuesday 20 July:

    • Discussion of exercises of session 1
    • General aspects of fragmentation of even-electron positive ions – 1
    • General aspects of fragmentation of even-electron positive ions – 2
    • Strategies for identification of unknowns – 1. Various classes of unknowns

    Discussion on library searching.
    Offline homework 2: Exercises

    Online session 3 Thursday 22 July:

    • Discussion of exercises of session 2
    • Fragmentation of even-electron ions – 1: Oxygen compounds – 1
    • Fragmentation of even-electron ions – 2: Oxygen compounds – 2
    • Strategies for identification of unknowns – 2. Identification of related substances

    Offline homework 3: Exercises

    Online session 4 Monday 26 July:

    • Discussion of exercises of session 3
    • Fragmentation of even-electron ions – 3: Nitrogen compounds – 1
    • Fragmentation of even-electron ions – 4: Nitrogen compounds – 2

    Offline homework 4: Exercises

    Online session 5 Tuesday 27 July:

    • Discussion of exercises of session 4
    • Fragmentation of even-electron ions – 5: Other compound classes
    • Strategies for identification of unknowns – 3. Identification of unknowns. Data acquisition strategies. Non-target screening

    Who should attend

    Researchers involved in structure elucidation and/or confirmation of identity, with at least 6 months experience in LC–MS.
    People who want to extend their knowledge and understanding of mass spectrometry.

    Benefits to the Participants

    • Insight in fragmentation reactions of even-electron ions
    • Insight in structure elucidation strategies
    • Interpretation of MS–MS mass spectra

    About The Lecturer

    Private: Wilfried Niessen
    Dr. Wilfried Niessen has more than 20 years of experience as
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