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. 2018 Nov 5;179(3):969–985. doi: 10.1104/pp.18.01074

Table 1. Annotated compounds found in the HD bioactive fractions 5 and 7 of R. idaeus (var Prestige) in positive and negative modes using a Thermo Orbitrap XL LC-MS.

Additionally, the presence (+) or absence (−) of compounds in the fractions is noted.

Retention Time (min) m/z Molecular Formula Tentative Identification Identity Level Fractions
Positive Mode Negative Mode 5 7
8.93 343.1029 [M-H] C15H20O9 Methoxybenzoyl-hexoside 3 +
9.17 299.0769 [M-H] C13H16O8 Hydroxy-benzoyl-hexoside isomer A 3 +
375.0928 Unknown 4 +
9.31 332.1354 [M+NH4]+ 313.0923 [M-H] C14H18O8 Hydroxyphenylacetate-hexoside 3 +
359.0976 [M+FA-H]
10.10 205.0977 [M+H]+ 203.0825 [M-H] C11H12N2O2 Trp 1 +
10.45 357.1186 [M+FA-H] C15H20O7 Phenylpropanoyl-hexoside 3 +
143.0350 Unknown 4 +
10.55 299.1132 [M-H] C14H18O8 Salidroside 1 +
345.1184 [M+FA-H]
10.72 341.0874 [M-H] C15H18O9 Caffeoyl-glucoside 2 +
11.03 427.1239 [M-H] C19H24O11 Unknown 4 +
11.08 299.0768 [M-H] C13H16O8 Hydroxy-benzoyl-hexoside isomer B 3 +
355.0666 [M-H] C15H16O10 Coumaroyl-quinic acid 2 +
11.41 464.1780 [M+NH4]+ 445.1342 [M-H] C19H26O12 Benzoyl-dihexoside isomer A 3 +
469.1333 [M+Na]+
11.65 445.1346 [M-H] C19H26O12 Benzoyl-dihexoside isomer B 3 +
11.73 611.1619 M+ 609.1446 [M+-2H] C27H31O16+ Cyanidin 3-O-sophoroside 1 +
12.00 757.2214 M+ 755.2022 [M+-2H] C33H41O20+ Cyanidin di-hexoside rhamnosyl 2 +
12.19 449.1098 M+ 447.0928 [M+-2H] C15H11O6+ Cyanidin 3-O-glucoside 1 +
12.37 595.1672 M+ 593.1499 [M+-2H C27H31O15+ Cyanidin 3-O-rutinoside 1 +
12.40 629.174 [M+H]+ 627.1552 [M-H] C15H12O7 Taxifolin di-hexoside 3 +
12.62 439.1815 Unknown 4 +
523.1812 Unknown 4 +
623.2181 Unknown 4 +
12.66 808.2535 [M+NH4]+ 789.2075 [M-H] C33H42O22 Unknown 4 +
12.67 231.114 Unknown 4 +
302.1249 Unknown 4 +
329.0873 Unknown 4 +
577.1344 Unknown 4 +
283.0821 Unknown 4 +
12.72 467.1197 [M+H]+ 465.1031 [M-H] C21H22O12 Taxifolin-hexoside 3 +
12.78 544.2408 [M+NH4]+ C25H34O12 Unknown 4 +
12.99 317.1391 [M+H]+ C18H20O5 Unknown 4 +
13.10 385.1135 [M-H] C17H22O10 Sinapoyl-hexoside 3 +
475.1451 [M-H] C20H28O13 Hydroxyphenylacetate-dihexoside 4 +
13.15 434.2035 [M+NH4]+ 461.1656 [M+FA-H] C19H28O10 Benzyl alcohol-rutinoside 3 +
13.22 464.1781 [M+NH4]+ 445.1348 [M-H] C19H26O12 Benzoyl di-hexoside isomer C 3 +
491.1401 [M+FA-H]
267.067 Unknown 4 +
13.40 291.0873 [M+H]+ 289.0712 [M-H] C15H14O6 (−)-epicatechin 1 +
13.56 571.2025 [M-H] C26H36O14 Unknown 4 +
13.70 299.0770 [M-H] C13H16O8 Unknown 4 +
401.1444 Unknown 4 +
445.1347 [M-H] C19H26O12 Benzoyl di-hexoside isomer D 3 +
491.1400[M+FA-H]
14.11 783.0662 [M-2H]2− C68H48O44 Sanguiin H-10; 2 +
1401.6058 [M-2H]2− C123H80O78 Lambertianin C 2 +
14.16 371.0975 [M-H] C16H20O10 Unknown 4 +
14.40 934.0682 [M-2H]2− C82H54O52 Sanguiin H-6 2 +
14.80 455.1761 [M+FA-H] C17H30O11 Unknown 4 +
14.82 859.071 [M-2H]2− C75H52O48 Unknown Tannin 3 +