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Accueil Tous les numéros Volume 28 (2021) OCL, 28 (2021) 42 Full HTML
Sunflower / Tournesol
Open Access

Table 1

Annotation of LC-MS signatures of sunflower leaf ethanolic extracts with LC-MS and LC-MS/MS data in positive ionization mode.

Variable Metabolite Rt a (min) Metabolite [M + H]+ a
m/z		 LC-MS/MS fragments
m/z a,b		 Putative name Metabolite ID Class Neutral molecular formula Calculated molecular formula [M + H]+
m/z		 MSI levelc
M284T195 3.26 284.0997 152.0568 Guanosine CHEBI:16750 Nucleosides C10H13N5O5 284.09894 2
M166T209 3.30 166.0864 120.0806 Phenylalanine CHEBI:28044 Amino acids C9H11NO2 166.08626 2
M382T210 3.50 382.1730 220.1195; 202.1091; 136,0618 Pantothenic acid-hexose – Amino compounds C15H27NO10 382.17077 3
M285T209 3.50 285.0837 ND Xanthosine CHEBI:18107 Nucleosides C10H12N4O6 285.08296 3
M356T275 d 4.60 355.1024 ND 5-O-Caffeoylquinic acid CHEBI:16384 Cinnamic acids C16H18O9 355.10236 2
M342T281 d 4.68 341.0869 179.0340 Esculin CHEBI:4853 Coumarins C15H16O9 341.08671 2
M356T315_1 d 5.25 355.1017 163.0392; 145.0286 3-O-Caffeoylquinic acid CHEBI:16112 Cinnamic acids C16H18O9 355.10236 2
M356T341 d 5.68 355.1023 ND 4-O-Caffeoylquinic acid CHEBI:75491 Cinnamic acids C16H18O9 355.10236 2
M340T362 d 6.04 339.1080 321.1128; 147.0442 Coumaroylquinic acid CHEBI:1945 Cinnamic acids C16H18O8 339.10744 2
M611T367 6.10 611.1630 465.1028; 303.0502 Rutin CHEBI:28527 Flavonoids C27H30O16 611.16066 2
M465T374 6.21 465.1034 303.0503 Quercetin hexoside – Flavonoids C21H20O12 465.10275 3
M370T374 d 6.22 369.1179 207.0995; 177.0550; 145.0286 Feruloylquinic acid CHEBI:86388 Cinnamic acid C17H20O9 369.11800 2
M642T389 d 6.47 641.1736 495.1133; 333.0603 Pentahydroxy, methoxyflavone hexoside-deoxyhexoside – Flavonoids C28H32O17 641.17122 3
M518T468 d 7.74 517.1334 ND 3,4-Dicaffeoylquinic acid CID: 5281780 Cinnamic acids C25H24O12 517.13405 3
M549T502_2 8.36 549.1256 ND Trihydroxy,methoxyflavone malonylhexoside – Flavonoids C25H24O14 549.12388 3
M379T524 8.71 379.1747 ND Niveusin C or Hydroxyleptocarpin – Sesquiterpenoids C20H26O7 379.17513 3
M274T582 9.68 273.0759 255.0655; 163.0392; 137.0234 Butein CHEBI:3237 Flavonoids C15H12O5 273.07574 2
M409T617 10.28 409.1862 ND 3-O-Methylniveusin A CID: 131752540 Sesquiterpenoids C21H28O8 409.18569 3
a

Rt and m/z measured with the raw data files. Only the [M + H]+ ion was considered as it was the most abundant ion in each acquired MS spectrum.

b

MS/MS fragmentation data from data dependent scan in CID mode at a 35% normalized collision energy value; ND: spectrum was not acquired.

c

Level of metabolite identification (Sumner et al., 2007).

d

This variable corresponds to M1 of the [M + H]+ ion.

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