Changes of Metabolomic Profile in Helianthus annuus under Exposure to Chromium(VI) Studied by capHPLC-ESI-QTOF-MS and MS/MS

Table 2

Three first molecular structures obtained for the selected formulas of seven precursors using SIRIUS plus CSI:FingerID and MS-Finder, respectively.

m/z	Retention; time, min	InChIKey	SIRIUS/CSI:FingerID	InChIKey	MS-Finder
217.0852	29.1	GSJJPFOIZRCDPP		VNEONZFLGNRQJT
		NYYIJXQZJGQQOP		RINHRISDQZMBAU
		AGBDCAVWZDTBKU		KIVJBPPONQCANS
231.1360	38.6	BWRZDLYJNURUHS		JCCZAMSVRSKGTD
		QLXSYIMXIMTCOX		PODMJNCXODSZED
		AVLOGKPJWQCTLP		YJLBOFKJSVUOID
233.0795	34.2	QJIYGTAEIRBFIS		IKOSPDXOTFMSTE
		OHWFUKAVYSSEQD		UBVZPPSBGZICHG
		ZLEKXXXCHQHHFH		JHELBXAAAYUKCT
235.0948	12.9	UNXITPCUASJXAZ		CRXSSRPVDGICML
		CIGSWLXZMSXAAE		JAMQIUWGGBSIKZ
		TXCCGIYIORQRRJ		BIUULCNWWFDCPG
247.1315	23.7	IFXGCKRDLITNAU		YZCDHRPWTDTXRF
		CHUWSGRBMLBSSX		RVSUBOUBGSVZRG
		OSSDUQKWVVZIGP		ZLWTZXNAINCRCG
367.1736	38.6	GVWZZKUSNVNWGC		GVWZZKUSNVNWGC
		SPOWTCXDLMRZEG		VBHMOJMVNMGQQV
		IFTUAAVSCWBNKT		SPOWTCXDLMRZEG
453.1739	20.0	DEDRXCYIYLIKTC		JWZUXOUZLUWWEO
		DERMLURFUNHBPV		DERMLURFUNHBPV
		JWZUXOUZLUWWEO		CRZZEGKPXWDZPM