Table Info

Table 3.

Annotated polyphenols from DDA experiments

m/z experimental	m/z theoretical	Accuracy (ppm)	Monoisotopic mass	RT (min)	Annotations	Level^※
386.0415	386.0406	2	387.0406	1.1	Glutathione S-sulfonate	2
306.0784	306.0838	18	307.0838	1.4	Glutathione	1
169.0192	169.0210	11	170.0215	3.7	Gallic acid	1
369.0374	369.0358	4	370.0358	4.0	Epicatechin-4β-sulfonates	2
305.0672	305.0730	19	306.0740	5.7	Gallocatechin	1
457.0863	457.0849	3	458.0849	6.0	Epigallocatechin gallate	1
311.0451	311.0481	10	312.0481	6.3	Caftaric acid	1
289.0736	289.0790	19	290.0790	7.1	Catechin	1
179.0405	179.0422	9	180.0422	8.0	Caffeic acid	1
289.0736	289.0790	19	290.0790	8.1	Epicatechin	1
463.0987	463.0954	7	464.0955	9.9	Quercetin 3-glucoside	1
287.0593	287.0633	14	288.0634	9.9	Dihydrokaempferol	1
300.9991	301.0062	24	302.0063	10.1	Ellagic acid	1
447.0996	447.1005	2	448.1006	10.2	Kaempferol 3-glucoside	1
207.0696	207.0735	19	208.0736	10.6	Ethyl caffeate	1
301.0385	301.0426	14	302.0427	10.7	Quercetin	1
285.0427	285.0477	18	286.0477	11.1	Kaempferol	1
315.0522	315.0580	18	316.0583	11.2	Isorhamnetin	1

※: level of annotation [33]; ppm: parts per million; DDA: data dependent acquisition; RT: retention time

Supplementary materials

The supplementary material for this article is available at: https://www.explorationpub.com/uploads/Article/file/101048_sup_1.pdf.

Declarations

Author contributions

AN and CV: Investigation, Methodology, Formal analysis, Writing—original draft, Writing—review & editing. DS: Investigation, Methodology, Formal analysis, Writing—original draft. EK: Conceptualization, Methodology, Resources, Funding acquisition, Project administration. ANA: Resources, Funding acquisition, Project administration, Writing—review & editing, Supervision. All authors read and approved the submitted version.

Conflicts of interest

The authors declare that they have no conflicts of interest.

Ethical approval

Not applicable.

Consent to participate

Not applicable.

Consent to publication

Not applicable.

Availability of data and materials

All GC-MS data are presented in the Supplementary file in form of peak integrations. All LC-MS integration data are provided in an excel file and can be found here: [https://www.explorationpub.com/uploads/LC-TIMS-TOF_MS_integrations.xls].

Funding

This research has been co‐financed by the European Union and Greek national funds through the Operational Program Competitiveness, Entrepreneurship and Innovation, under the call RESEARCH – CREATE – INNOVATE [T2EDK-03382]. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.

Copyright

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