This work was designed as a proof of concept, to demonstrate the successful use of the comparison between theoretical and experimental collision cross section (CCS) values to support the identification of isomeric forms. To this purpose, thirteen mycotoxins were considered and analyzed using drift time ion mobility mass spectrometry. A good linear correlation (r2= 0.962) between theoretical and experimental CCS was found. The average ΔCCS was 3.2%, fully consistent with the acceptability threshold value commonly set at 5%. The agreement between theoretical and experimental CCS obtained for mycotoxin glucuronides suggested the potential of the CCS matching in supporting the annotation procedure.

High resolution-ion mobility mass spectrometry as an additional powerful tool for structural characterization of mycotoxin metabolites / Righetti, Laura; Fenclova, Marie; Dellafiora, Luca; Hajslova, Jana; Stranska-Zachariasova, Milena; Dall'Asta, Chiara. - In: FOOD CHEMISTRY. - ISSN 0308-8146. - 245(2018), pp. 768-774. [10.1016/j.foodchem.2017.11.113]

High resolution-ion mobility mass spectrometry as an additional powerful tool for structural characterization of mycotoxin metabolites

Righetti, Laura;Dellafiora, Luca;Dall'Asta, Chiara
2018

Abstract

This work was designed as a proof of concept, to demonstrate the successful use of the comparison between theoretical and experimental collision cross section (CCS) values to support the identification of isomeric forms. To this purpose, thirteen mycotoxins were considered and analyzed using drift time ion mobility mass spectrometry. A good linear correlation (r2= 0.962) between theoretical and experimental CCS was found. The average ΔCCS was 3.2%, fully consistent with the acceptability threshold value commonly set at 5%. The agreement between theoretical and experimental CCS obtained for mycotoxin glucuronides suggested the potential of the CCS matching in supporting the annotation procedure.
High resolution-ion mobility mass spectrometry as an additional powerful tool for structural characterization of mycotoxin metabolites / Righetti, Laura; Fenclova, Marie; Dellafiora, Luca; Hajslova, Jana; Stranska-Zachariasova, Milena; Dall'Asta, Chiara. - In: FOOD CHEMISTRY. - ISSN 0308-8146. - 245(2018), pp. 768-774. [10.1016/j.foodchem.2017.11.113]
File in questo prodotto:
File Dimensione Formato  
Manuscript_Righetti_2018.pdf

embargo fino al 01/12/2018

Descrizione: Post-print articolo principale
Tipologia: Documento in Post-print
Licenza: Creative commons
Dimensione 1.68 MB
Formato Adobe PDF
1.68 MB Adobe PDF Visualizza/Apri

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11381/2840381
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 21
  • ???jsp.display-item.citation.isi??? 19
social impact