Table 1.

Accurate mass measurements, molecular formulas, and putative identification of the 5 determined VIPs.

Ionic form	Experimental m/z	Calculated molecular formula	Calculated m/z	Mass error [ppm]	MS/MS fragmentation	Putative identification
[M + H]+	399.3624	C28H47O	399.3621	0.6	281.3509a, 297.2574, 255.2104, 135.1167	Brassicasterol
[M + H]+	425.3413	C29H45O2	425.3414	−0.3	407.3306a, 191.1064, 173.0959	Sterol
M°+	630.3539	C39H50O7	630.3551	−1.9	603.7519, 553.3241, 520.0495, 487.2805	Peridinin
[M + Na+]	979.5394	C53H80O15Na	979.5389	0.5	705.3445b, 677.3134c	DGDG 18:5/20:5
[M + Na+]	981.5551	C53H82O15Na	981.5546	0.6	679.3299b, 705.3453c	DGDG 20:5/18:4

^a[M + H - H₂O]⁺, ^b[M + Na - FA₁]⁺, ^c[M + Na - FA₂]⁺, FA = fatty acid.