Open Access
Table 1.
Identified target analytes in MeOH extracts of berries of Lonicera caerulea L.
| № | № of collection of N.I. Vavilov All‐Russian Institute of Plant Genetic Resources | Class of compounds | Identification | Formula | Calculate d mass | Observe d mass [M‐H]‐ | Obser‐ ved mass [M+H] + | MS/MS Stage 1 fragment a‐tion | MS/MS Stage 2 fragment a‐tion | MS/MS Stage 3 fragment a‐tion |
|---|---|---|---|---|---|---|---|---|---|---|
| POLYPHENOLS | ||||||||||
| 1 | SPb 1043‐11; SPb 1043‐8 | Flavonol | Kaempferol | C15H10O6 | 286.2363 | 287 | 269; 149 | 239; 181 | ||
| 2 | 863; SPb 1043‐8 | Flavonol | Dihydrokaempferol | C15H12O6 | 288.2522 | 289 | 176; 144;272 | 144 | 116 | |
| 3 | 863; 860; SPb 1043‐8 | Flavonol | Quercetin | C15H10O7 | 302.2357 | 303 | 257; 146 | 229 | 201; 145 | |
| 4 | SPb 1043‐11 | Flavonol | Rhamnetin I [beta‐Rhamnocitrin; Quercetin 7‐Methyl ether] | C16H12O7 | 316.2623 | 317 | 299; 213 | 267 | 239 | |
| 5 | 863 | Flavonol | Rhamnetin II | C16H12O7 | 316.2623 | 317 | 302 | 274; 153;121 | 229; 153;121 | |
| 6 | 863; SPb 1043‐11 | Flavonol | Isorhamnetin [Isorhamnetol; Quercetin 3'‐ Methyl ether; 3‐Methylquercetin] | C16H12O7 | 316.2623 | 315 | 283 | 255; 211 | 227 | |
| 7 | SPb 1043‐8 | Flavonol | Kaempferol‐3‐O‐hexoside | C21H20O11 | 448.3769 | 449 | 287 | 213 | 213 | |
| 8 | 863 | Flavonol | Quercetin‐3‐(3‐O‐arabinosyl)glucoside | C26H28O16 | 596.4909 | 597 | 303; 465 | 257; 165 | 229 | |
| 9 | 863; 860 | Flavonol | Quercetin 3‐O‐ glucoside [ Isoquercitrin; Hirsutrin; Quercetin‐3‐O‐Glucopyranoside; 3‐Glucosylquercetin] | C21H20O12 | 464.3763 | 465 | 303 | 229; 165 | 201; 161 | |
| 10 | 863; SPb 1043‐11; SPb 1043‐8; 860 | Flavonol | Taxifolin‐3‐O‐glucoside | C21H22O12 | 466.3922 | 467 | 449; 287 | 377; 279 | 345; 283 | |
| 11 | 860 | Flavonol | Kaempferol acetyl hexoside | C23H22O12 | 490.4136 | 491 | 257 | 183 | ||
| 12 | SPb 1043‐11 | Flavonol | Mearnsetin‐hexoside | C22H22O13 | 494.4023 | 495 | 477; 387 | 387; 315;199 | ||
| 13 | 863 | Flavonol | Horridin [Quercetin 3‐Rhamnosyl‐(1‐>2)‐ Rhamnoside] | C27H30O15 | 594.5181 | 595 | 463; 432;301 | 301 | 286 | |
| 14 | SPb 1043‐11 | Flavonol | Kaempferol 3‐O‐(6‐O‐rhamnosyl‐ glucoside) | C27H30O15 | 594.5181 | 595 | 287 | 213 | 185 | |
| 15 | 863; SPb 1043‐11 | Flavonol | Rutin (Quercetin 3‐O‐rutinoside) | C27H30O16 | 610.5175 | 611 | 303; 197 | 285; 229;195 | 229 | |
| 16 | 860 | Flavan‐3‐ol | Catechin [D‐Catechol] | C15H14O6 | 290.2681 | 291 | 289; 159 | 230; 127 | ||
| 17 | SPb 1043‐11 | Flavan‐3‐ol | Epicatechin | C15H14O6 | 290.2681 | 291 | 273; 137 | |||
| 18 | 863 | Flavan‐3‐ol | Biochanin A‐7‐O‐glucoside | C22H22O10 | 446.4041 | 447 | 245; 187 | 217 | 148; 182 | |
| 19 | SPb 1043‐11; SPb 1043‐8 | Flavone | Apigenin [5,7‐Dixydroxy‐2‐ (40Hydroxyphenyl)‐4H‐Chromen‐4‐One] | C15H10O5 | 270.2369 | 271 | 225 | 179 | ||
| 20 | SPb 1043‐11 | Flavone | Chrysoeriol [Chryseriol] | C16H12O6 | 300.2629 | 301 | 255; 157 | 209 | 135 | |
| 21 | SPb 1043‐11 | Flavone | Apigenin‐O‐pentoside | 448 | 449 | 403; 287;216 | 347; 137 | 291 | ||
| 22 | 863; 860; SPb 1043‐11 | Flavone | Luteolin 7‐O‐glucoside [Cynaroside] | C21H20O11 | 448.3769 | 449 | 287 | 269; 241;132 | 133 | |
| 23 | 860 | Flavone | Chrysoeriol‐7‐O‐glucoside | C22H22O11 | 462.4035 | 463 | 301; 243 | 183 | ||
| 24 | SPb 1043‐11 | Flavone | Diosmin [Diosmetin‐7‐O‐rutinoside; Barosmin; Diosimin] | C28H32O15 | 608.5447 | 609 | 591; 531 | 531 | 487 | |
| 25 | 863 | Flavanone | Naringenin [Naringetol; Naringenine] | C15H12O5 | 272.5228 | 273 | 147; 246 | |||
| 26 | SPb 1043‐11 | Anthocyanin | Delphinidin | C15H11O7 | 303.2436 | 304 | 212; 149 | 212; 145 | ||
| 27 | SPb 1043‐11 | Anthocyanin | Petunidin | C16H13O7+ | 317.2702 | 318 | 256 | 238; 113 | 238 | |
| 28 | 863 | Anthocyanin | Cyanidin‐pentoside | C20H19O10 | 419.3589 | 419 | 287 | 259; 188;133 | 160 | |
| 29 | 863; SPb 1043‐11 | Anthocyanin | Cyanidin‐3‐O‐glucoside [Cyanidin 3‐O‐ beta‐D‐Glucoside] | C21H21O11 + | 449.3848 | 449 | 287 | 287; 213; | 185; 141 | |
| 30 | SPb 1043‐11 | Anthocyanin | Peonidin‐3‐O‐galactoside | C22H23O11 + | 463.4114 | 463 | 301 | 286 | 258; 150 | |
| 31 | SPb 1043‐8 | Anthocyanin | Peonidin‐3‐O‐glucoside | C22H23O11 + | 463.4114 | 463 | 301 | 286 | 258; 200 | |
| 32 | 863 | Anthocyanin | Peonidin 3‐O‐acetyl hexoside | C24H25O12 | 505.4481 | 506 | 303; 487 | 303; 229;165 | 201; 159 | |
| 33 | SPb 1043‐11; SPb 1043‐8; | Anthocyanin | Delphinidin 3‐O‐Beta‐D‐sambubioside | C26H29O16 | 597.4989 | 597 | 303; 465;229 | 229; 165 | 201; 172 | |
| 34 | SPb 1043‐11; SPb 1043‐8; | Anthocyanin | Peonidin 3‐O‐rutinoside | C28H33O15 | 609.5526 | 609 | 301; 463 | 286 | 258 | |
| 35 | 863; 860; SPb 1043‐11; SPb 1043‐8 | Anthocyanin | Cyanidin 3,5‐O‐diglucoside | C27H31O16 | 611.5335 | 611 | 287; 449 | 287; 213 | 185 | |
| 36 | SPb 1043‐11 | Anthocyanin | Peonidin‐3,5‐O‐diglucoside [Peonin; Peonidin 3‐Glucoside‐5‐Glucoside] | C28H33O16 | 625.5520 | 625 | 301; 463 | 286 | 258 | |
| 37 | 863 | Hydroxybenzoic acid (Phenolic acid) | 4‐Hydroxybenzoic acid [PHBA; Benzoic acid; p‐Hydroxybenzoic acid] | C7H6O3 | 138.1207 | 139 | 121 | |||
| 38 | 863; 860 | Hydroxybenzoic acid (Phenolic acid) | Gallic acid | C7H6O5 | 170.1195 | 171 | 139 | 111 | ||
| 39 | 863; SPb 1043‐11 | Hydroxybenzoic acid (Phenolic acid) | Ellagic acid [Benzoaric acid; Elagostasine; Lagistase; Eleagic acid] | C14H6O8 | 302.1926 | 301 | 257 | 229 | 201 | |
| 40 | 863 | Hydroxybenzoic acid (Phenolic acid) | Salvianolic acid D | C20H18O10 | 418.3509 | 417 | 373 | 347 | 303 | |
| 41 | SPb 1043‐11; SPb 1043‐8 | Methylbenzoic acid | Methylgallic acid [Methyl gallate] | C8H8O5 | 184.1461 | 185 | 139 | 111 | ||
| 42 | 863 | Hydroxycinnamic acid | Cinnamic acid (Trans‐cinnamic acid;Phenylacrylic acid) | C9H8O2 | 148.1586 | 147 | 129 | |||
| 43 | SPb 1043‐11 | Hydroxycinnamic acid | Caffeic acid [(2E)‐3‐(3,4‐Dihydroxyphenyl)acrylic acid] | C9H8O4 | 180.1574 | 181 | 135 | 119 | ||
| 44 | 863; 860; SPb 1043‐11; SPb 1043‐8 | Hydroxycinnamic acid | Chlorogenic acid [3‐O‐Caffeoylquinic acid] | C16H18O9 | 354.3087 | 353 | 191 | 127 | ||
| 45 | 860 | Hydroxycinnamic acid | Feruloylquinic acid | C17H20O9 | 368.3353 | 367 | 179; 135 | 135 | ||
| 46 | 863 | Hydroxycinnamic acid | 5‐O‐Feruloylquinic acid | C17H20O9 | 368.3353 | 369 | 163 | 145 | 117 | |
| 47 | SPb 1043‐11; SPb 1043‐8 | Hydroxycinnamic acid | 3‐O‐Hydroxydihydrocaffeoylquinic acid | C16H20O10 | 372.3240 | 371 | 191 | 127 | ||
| 48 | 863; 860; | Hydroxycinnamic acid | 5‐O‐(4'‐O‐Feruloyl glucosyl)quinic acid | C23H30O14 | 530.4759 | 531 | 299; 245 | 281; 167 | 149 | |
| 49 | 863; SPb 1043‐11 | Cinnamic acid | Ferulic acid | C10H10O4 | 194.184 | 193 | 161 | 133 | ||
| 50 | 860 | Stilbene | Resveratrol [trans‐Resveratrol; 3,4',5‐Trihydroxystilbene; Stilbentriol] | C14H12O3 | 228.2433 | 229 | 211 | 183; 127 | 138 | |
| 51 | 863 | Stilbene | Oxyresveratrol | C14H12O4 | 244.2427 | 245 | 220; 173;112 | |||
| 52 | 860; | Oligomeric proanthocyanidins | Epiafzelechin [(epi)Afzelechin] | C15H14O5 | 274.2687 | 275 | 185; 244 | 157 | ||
| 53 | SPb 1043‐11 | Oligomeric proanthocyanidins | (Epi)Catechin‐A‐(epi)afzelechin | C30H24O11 | 560.5050 | 561 | 399; 278;201 | 325; 255;191; 132 | ||
| 54 | SPb 1043‐11 | Oligomeric proanthocyanidins | (Epi)catechin‐(4,8'/2,6')‐(epi)catechin | 576 | 577 | 559; 447;377; 306;265; 179 | 247; 121 | 175 | ||
| 55 | SPb 1043‐11 | Oligomeric proanthocyanidin | 3‐O‐Galloyl (epi)catechin‐(4,8)‐ (epi)gallocatechin | 746 | 748 | 575; 466;379; 270 | 318; 264;175 | 235; 161 | ||
| 56 | SPb 1043‐11; SPb 1043‐8 | Aryl‐beta‐ glycoside | Arbutin | C12H16O7 | 272.2512 | 273 | 227 | 181 | 135 | |
| OTHERS | ||||||||||
| 57 | SPb 1043‐8 | Non‐proteinogenic L‐alpha‐amino acid | L‐Pyroglutamic acid [Pidolic acid; 5‐ Oxo‐L‐Proline] | C5H7NO3 | 129.1140 | 130 | 111 | |||
| 58 | SPb 1043‐11 | Amino acid | Leucine [(S)‐2‐Amino‐Methylpentanoicacid] | C6H13NO2 | 131.1729 | 132 | 130 | 112 | ||
| 59 | 860; SPb 1043‐8 | Amino acid | Phenylalanine [L‐Phenylalanine] | C9H11NO2 | 165.1891 | 166 | 120 | |||
| 60 | SPb 1043‐11; SPb 1043‐8; 860 | Cyclohexenecarbo xylic acid | Shikimic acid [L‐Schikimic acid] | C7H10O5 | 174.1513 | 175 | 128 | 111 | ||
| 61 | 863 | Amino acid | Tyrosine [(2S)‐2‐Amino‐3‐(4‐Hydroxyphnyl)Propanoic acid] | C9H11NO3 | 181.1885 | 179 | 133 | 115 | ||
| 62 | SPb 1043‐8 | Propenyl | Methyl eugenol | C11H14O2 | 178.2277 | 179 | 151 | 123 | ||
| 63 | 863 | Dicarboxylic acid | Azelaic acid [Nonanedioic acid; Anchoic acid; Finacea] | C9H16O4 | 188.2209 | 189 | 171 | 139 | 111 | |
| 64 | 863; 860; SPb 1043‐8 | Tricarboxylic acid | Citric acid [ Anhydrous; Citrate] | C6H8O7 | 192.1235 | 191 | 111; 173 | |||
| 65 | SPb 1043‐8 | Polyhydroxycarbo xylic acid | Quinic acid | C7H12O6 | 192.1666 | 191 | 111; 173 | 111 | ||
| 66 | 863 | Propanoic acid | Dihydroferulic acid | C10H12O4 | 196.1999 | 197 | 127 | |||
| 67 | 863; SPb 1043‐8 | Carboxylic acid | Myristoleic acid [Cis‐9‐Tetradecanoic acid] | C14H26O2 | 226.3550 | 227 | 209; 165 | 121 | ||
| 68 | SPb 1043‐11; SPb 1043‐8 | Polypeptide | 5‐Oxo‐L‐propyl‐L‐isoleucine | C11H18N2 O4 | 242.2716 | 243 | 196; 137 | 151 | ||
| 69 | 863 | Medium‐chain fatty acid | Hydroxy dodecanoic acid | C12H22O5 | 246.3001 | 247 | 229 | 187 | ||
| 70 | 863 | Terpenoid trilactone | Bilobalide [ (‐)‐Bilobalide] | C15H18O8 | 326.2986 | 325 | 183; | 119; | ||
| 71 | 860 | Iridoid | Monotropein | C16H22O11 | 390.3393 | 391 | 219; 372 | 202; 148 | 160 | |
| 72 | 863 | Phytosterol | Ergosterol [Provitamin D2; Ergosterin] | C28H44O | 396.6484 | 397 | 379; 291;206 | 291; 223 | 139 | |
| 73 | 860 | Sterol | Fucosterol [Fucostein; Trans‐24‐ Ethylidenecholesterol] | C29H48O | 412.6908 | 413 | 395; 324;219 | 329 | ||
| 74 | 863; SPb 1043‐11 | Sterol | Beta‐Sitosterin [Beta‐Sitosterol] | C29H50O | 414.7067 | 415 | 216; 312 | 159; 115 | ||
| 75 | SPb 1043‐11 | Anabolic steroid | Vebonol | C30H44O3 | 452.6686 | 453 | 435 | 336; 226 | 209; 139 | |
| 76 | 860 | Triterpenoid | Betunolic acid | C30H46O3 | 454.6844 | 455 | 437; 345;247 | 326; 283 | 303; 239;199 | |
| 77 | 863 | Triterpenic acid | Oleanoic acid | C30H48O3 | 456.7003 | 457 | 425; 295;225 | 167 | ||
| 78 | 863; SPb 1043‐11 | Thromboxane receptor antagonist | Vapiprost | C30H39NO 4 | 477.6350 | 478 | 337 | 263; 121 | 119 | |
| 79 | 863; SPb 1043‐11 | Indole sesquiterpene alkaloid | Sespendole | C33H45NO 4 | 519.7147 | 520 | 184 | 125 | ||
| 80 | 863 | Iridoid glucoside | p‐Coumaroyl monotropein | C25H28O13 | 536.4820 | 537 | 375; 256;185 | |||
| 81 | 863; SPb 1043‐11 | Iridoid | p‐Coumaroyl monotropein hexoside | 698.8810 | 699 | 537; 347;259 | 375; 259;185 | |||
| 82 | SPb 1043‐11 | Steroidal alkaloid | Alpha‐chaconine | C45H73NO 14 | 852.0594 | 852 | 706 | 560; 398 | 398; 204 |
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