Prediction of mass spectra using an ab initio approach
- Authors: Novokoza, Yolanda
- Date: 2023-10-13
- Subjects: Uncatalogued
- Language: English
- Type: Academic theses , Doctoral theses , text
- Identifier: http://hdl.handle.net/${Handle} , vital:72818
- Description: Access restricted. Expected release date in 2025. , Thesis (PhD) -- Faculty of Science, Chemistry, 2023
- Full Text:
- Date Issued: 2023-10-13
- Authors: Novokoza, Yolanda
- Date: 2023-10-13
- Subjects: Uncatalogued
- Language: English
- Type: Academic theses , Doctoral theses , text
- Identifier: http://hdl.handle.net/${Handle} , vital:72818
- Description: Access restricted. Expected release date in 2025. , Thesis (PhD) -- Faculty of Science, Chemistry, 2023
- Full Text:
- Date Issued: 2023-10-13
Rationalising the retro-Diels-Alder fragmentation pattern of viscutins using electrospray interface-tandem mass spectrometry coupled to theoretical modelling
- Moyo, Babra, Novokoza, Yolanda, Tavengwa, Nikita T, Kuhnert, Nikolai, Lobb, Kevin A, Madala, Ntakadzeni E
- Authors: Moyo, Babra , Novokoza, Yolanda , Tavengwa, Nikita T , Kuhnert, Nikolai , Lobb, Kevin A , Madala, Ntakadzeni E
- Date: 2023
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/452786 , vital:75170 , xlink:href="https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/epdf/10.1002/rcm.9592"
- Description: Although mass spectrometry (MS) is a powerful tool in structural elucidation of unknown flavonoids based on their unique fragmentation patterns, proposing the correct fragmentation mechanism is still a challenge from tandem mass spectrometry data only. In recent years, computational tools such as molecular networking and MS2LDA have played a major role in the identification of structurally related compounds through an in-depth survey of their fragmentation patterns.
- Full Text:
- Date Issued: 2023
- Authors: Moyo, Babra , Novokoza, Yolanda , Tavengwa, Nikita T , Kuhnert, Nikolai , Lobb, Kevin A , Madala, Ntakadzeni E
- Date: 2023
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/452786 , vital:75170 , xlink:href="https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/epdf/10.1002/rcm.9592"
- Description: Although mass spectrometry (MS) is a powerful tool in structural elucidation of unknown flavonoids based on their unique fragmentation patterns, proposing the correct fragmentation mechanism is still a challenge from tandem mass spectrometry data only. In recent years, computational tools such as molecular networking and MS2LDA have played a major role in the identification of structurally related compounds through an in-depth survey of their fragmentation patterns.
- Full Text:
- Date Issued: 2023
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