- P-ISSN 2233-4203
- E-ISSN 2093-8950
- P-ISSN2233-4203
- E-ISSN2093-8950
- ESCI, SCOPUS, KCI
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Mass Fragmentation Patterns as Fingerprints for Positive Identification of Polyphenolic Compounds in a Crude Extract
Mass Spectrometry Letters / Mass Spectrometry Letters, (P)2233-4203; (E)2093-8950
2015, v.6 no.4, pp.105-111
https://doi.org/10.5478/MSL.2015.6.4.105
(Universiti Teknologi MARA)
(Universiti Teknologi MARA)
(Universiti Teknologi MARA)
Manshoor,
N., &
Weber,
J.
F.
(2015). Mass Fragmentation Patterns as Fingerprints for Positive Identification of Polyphenolic Compounds in a Crude Extract. Mass Spectrometry Letters, 6(4), 105-111, https://doi.org/10.5478/MSL.2015.6.4.105
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Abstract
Sixteen compounds of Neobalanocarpus heimii were successfully identified directly from their plant extract using a triple quadrupole LC-MS/MS system. In order to fulfil the objectives of this work, a series of stilbene oligomers of various degrees of condensation were isolated and their structure are characterized. Out of these, four are resveratrol dimers, three trim-ers, and nine tetramers. The isolation process was done on a fully automated semi-preparative HPLC system. Their structures were elucidated on the basis of 1D- and 2D-NMR as well as MS data. The mass fragmentation patterns of the compounds were recorded and a retrievable in-house library was built to keep the data. In order to demonstrate the potential of this approach, the polyphenolic crude extract was analysed with the LC-MS/MS system and the MS/MS spectra extracted for each chromato-graphic peak of interest. The fragmentation patterns were compared with those of anticipated pure compounds that were previ-ously recorded. All compounds were successfully identified. It is therefore believed that the LC-MS/MS potential for dereplication of structurally similar compounds in a crude mixture was thus firmly established.
- keywords
- LC-MS/MS, ESI, triple-quadrupole, Neobalanocarpus heimii, oligostilbenes
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- Submission Date
- 2015-08-17
- Revised Date
- 2015-09-15
- Accepted Date
- 2015-09-17
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