Table 1 Product ion of cocoa pod extract in negative mode
Class | Compound | Retention time, t R (min) | m/z | Reference | in PBE |
|---|---|---|---|---|---|
Sugar | Gluconic acid sodium salt/glucose acid | 0.787 | 195,177,129,85,75 | 34,35 | Yes |
Carboxylic acid | Tartaric acid | 1.184 | 149,105,87,73 | 34 | No |
Flavonoid/flavonol | Rhamnetin | 1.315 | 315,241,139,108,97,80,70 | 34 | No |
Carboxylic acid | Citric acid | 1.447 | 191,111,87 | 53,35 | Yes |
Phenolic acid | Protocatechuic acid | 1.842 | 153,109,65 | 38,39 | Yes |
Phenolic acid | Protocathecuic derivatives/nucleotide | 1.972 | 329,241,199,108,97,69 | 41/35 | No |
Phenolic acid | Protocathecuic derivatives/nucleotide | 1.974 | 329,241,139,97,80 | 41/35 | No |
  Unknown |  | 2.106 | 330,241,122,96,80 | - | No |
Phenolic acid | p-hydroxybenzoic acid | 2.238 | 137,93 | 36,40 | Yes |
Phenolic acid | Salicyclic acid | 2.238 | 137,108,91,65 | 35 | Yes |
  Unknown |  | 2.500 | 363,241,122,96,59 | - | No |
Phenolic acid | Methyl salicylate | 2.633 | 151,139,124,91,65 | 35 | No |
Nucleotide | disodium salt, nucleotide | 2.763 | 401,327,69 | 35 | No |
Phospholipid | Phospholipid derivatives | 2.897 | 381,249,161,113,98,85,68 | 35 | No |
Glucosinolate | Glucosinolate derivatives | 3.029 | 379,155,59 | 35 | No |
Flavonoid | Sineginhomoorientin derivatives | 3.161 | 355,225,207,96,69,59 | 35,42 | No |
  Unknown |  | 3.292 | 358,245,222,178,161,135,123 | - | No |
  Unknown |  | 3.293 | 358,222,178,161,151,135,123 | - | Yes |
  Unknown |  | 3.423 | 452,408,372,328,285,250,230,190,178,160,148,135 | - | No |
Flavones-Sugar | Apigenin-c-glucose-c-pentoside | 3.425 | 563,545,473,443,395,383,365,353,325,311,297,233 | 43 | No |
  Unknown |  | 3.557 | 357,241,139,96 | - | No |
Glucosinolate | Glucosinolate derivatives | 3.688 | 372.2,285.1,136,178,147,160.2,135 | 35 | No |
Glucosinolate | Glucosinolate derivatives | 3.822 | 439.2,314,300.1,269.1,180.1,151.1,96.9,80.1 | 35,42 | No |
Glucosinolate | Glucosinolate derivatives | 4.086 | 371,281,241,151,96 | 35 | No |
Terpenoid | Terpenoid derivatives | 4.351 | 345,201,171,155,59 | 35 | No |
Flavonoid/Flavonol | Kaempferol derivatives | 4.879 | 723,677,659,550,451,367,225 | 34 | Yes |
Terpenoid | Terpenoid derivatives | 5.010 | 345,99,59 | 35 | No |
Flavonoid | Flavone derivatives | 5.143 | 327,309,197 | 35 | No |
  Unknown |  | 5.404 | 329,229,211,171,139,99 | - | No |
Flavone | Flavone/luteolin | 5.407 | 329,311,229,211,171,139,127,99,69 | 44 | No |
Flavonoid | Flavone derivatives | 5.535 | 327,205,183,171,69,59 | 35 | No |
Ketone-Sugar | Ribulose1,5-bisphosphate | 5.667 | 309,265,209,193,151,137,109 | 53 | No |
Terpenoid | Crysoplenol | 5.802 | 330,172 | 35 | No |
Flavonoid | Flavones derivatives | 6.199 | 305,287,249,163,135,93 | 37,54,45,46 | No |
Flavones-Sugar | apigenin glycoside | 6.594 | 313,295,183,171,129,99,58 | 34,44 | No |
Phenylpropanoid | Chlorogenic acid derivatives | 6.858 | 353,97,80 | 34 | No |
  Unknown |  | 7.377 | 339,239,183,170,99 | - | Yes |
Flavonoid | Flavones derivatives | 7.384 | 295,277,181,171 | 35 | No |
Flavonoid | Flavones derivatives | 7.516 | 293,249,195,113 | 35 | No |
Flavonoid | Flavones derivatives | 7.516 | 293,249,236,220,205,190,177,164,148,81 | 35 | No |
Carboxylic acid | Malic acid | 8.042 | 133, 115,71 | 34,47,48,49,53,35 | Yes |
Stillbenoids | Resveratrol | 8.567 | 277 | 50 | No |
Stillbenoids | Resveratrol | 8.567 | 227 | 37,51 | No |
Fatty acid | Linoleic acid | 9.094 | 279 | 41 | No |
Vitamin | Flavin mononucleotide | 9.218 | 455 | 43 | No |
Fatty acid | Oleic acid | 9.620 | 281 | 41 | No |
Flavonoid/flavone | Linarin/acacetin | 14.350 | 283 | 52 | Yes |