Pharmacokinetic Characterization of (Poly)phenolic Metabolites in Human Plasma and Urine after Acute and Short-Term Daily Consumption of Mango Pulp
Abstract
:1. Introduction
2. Results and Discussion
2.1. Mango Pulp
2.2. Acute Study
2.3. Short-Term 14 Day Mango Feeding Trial
2.4. Inter-Individual Variability
3. Materials and Methods
3.1. Ethics, Study Design and Study Subjects
3.1.1. Acute 24 h Trial
3.1.2. Short-Term 14-Day Trial
3.2. Chemicals and Materials
3.3. Sample Preparation
3.3.1. Extraction of (Poly)phenolic Compounds from MP
3.3.2. Extraction of (Poly)phenolic Compounds from Plasma
3.3.3. Extraction of (Poly)phenolic Compounds from Urine
3.4. Identification and Quantification of (Poly)phenolic Compounds
3.5. Pharmacokinetic and Statistical Analysis
Author Contributions
Funding
Conflicts of Interest
Appendix A
Compound Number | Retention Time (min) | Precursor Ion (m/z) | Calculated (m/z) | Mass Error | Molecular Formula | Product Ion (m/z) | Tentative Compound Identification |
---|---|---|---|---|---|---|---|
1 | 1.3 | 191.05544 | 191.05556 | −0.6 | C7H12O6 | 191.05575, 129.04033, 145.10961 | Quinic acid * |
2 | 1.5 | 191.01904 | 191.01917 | −0.7 | C6H8O7 | 111.00075, 129.70383 | Citric acid |
3 | 2.1 | 493.11906 | 493.11934 | −0.6 | C19H26O15 | 169.01264, 313.05263, 405.25778 | Galloyl diglucoside |
4, 5 | 2.4, 2.8 | 331.06624 | 331.06652 | −0.8 | C13H16O10 | 125.02369, 169.01343 | Galloyl glucose |
6 | 2.9 | 153.01858 | 153.01878 | −1.3 | C7H6O4 | 125.02388, 136.94855, 108.99133 | Protocatechuic acid (3,4-Dihydroxybenzoic acid) * |
7 | 3.0 | 167.03402 | 167.03443 | −2.5 | C8H8O4 | 152.00786, 132.86693, 110.59943 | Vanillic acid * |
8 | 3.1 | 343.06588 | 343.06652 | −1.9 | C14H16O10 | 168.91982, 191.05969 | Galloylquinic acid |
9 | 3.3 | 299.07664 | 299.07669 | −0.2 | C13H16O8 | 137.02997, 179.03352 | Hydroxybenzoic acid glucoside |
10 | 3.9 | 179.03412 | 179.03443 | −1.7 | C9H8O4 | 135.04455, 118.93691 | Caffeic acid (3,4-Dihydroxycinnamic acid) * |
11 | 3.9 | 341.08707 | 341.08725 | −0.5 | C15H18O9 | 135.04457, 179.03434 | Caffeoyl glucose |
12 | 4.0 | 325.09221 | 325.09234 | −0.4 | C15H18O8 | 119.04938, 163.03948 | Coumaroyl hexoside |
13 | 4.0 | 163.03947 | 163.03951 | −0.2 | C9H8O3 | 163.03878, 119.04942 | Coumaric acid |
14, 15, 16, 17, 18, 19 | 4.1, 4.7, 4.9, 5.6, 7.0 | 635.08856 | 635.08843 | −0.2 | C27H24O18 | 169.01003, 465.06588 | Trigalloyl glucose |
4.5, 6.7 | 443.19130 | 443.19172 | −0.9 | C21H32O10 | 101.02350, 113.02310 | Dihydrophaseic acid glucoside | |
20 | 4.7 | 137.02392 | 137.02386 | −0.4 | C7H6O3 | 136.95173, 65.0389, 93.03008 | Hydroxybenzoic acid |
21 | 4.7 | 193.04965 | 193.05008 | −2.2 | C10H10O4 | 134.03702, 178.02565, 149.05928 | Ferulic acid * |
22 | 4.7, 5.9 | 355.10269 | 355.10290 | −0.6 | C16H20O9 | 134.03661, 193.04963, 178.02627 | Ferulic acid hexoside |
23 | 5.0 | 289.07077 | 289.07121 | −1.5 | C15H14O6 | 109.02822, 245.08098, 203.06967 | Catechin * |
24 | 5.4 | 223.05998 | 223.06064 | −3.0 | C11H12O5 | 123.90067, 193.01364, 135.04564 | Sinapic acid * |
25, 26, 27, 28, 29, 30 | 5.7, 6.1, 6.6, 7.0, 7.5, 7.7 | 403.16012 | 403.16042 | −0.7 | C21H24O8 | 197.11786, 241.10404 | Hydroxy-dimethyl decadiene-dioic acid glucopiranosylester |
31 | 6.1 | 421.07560 | 421.07708 | −3.5 | C19H18O11 | 331.04450, 301.03487 | Mangiferin |
32 | 6.5 | 447.09407 | 447.09273 | 3.0 | C21H20O11 | 169.01225, 284.95930 | Kaempferol 3-O-glucoside * |
33 | 6.7 | 353.08664 | 353.08725 | −1.7 | C16H18O9 | 173.13091 | Caffeoyl quinic acid (chlorogenic acid) * |
34 | 6.8 | 477.10296 | 477.10330 | −0.7 | C22H22O12 | 315.05587, 163.03885, 119.04845 | Isorhamnetin hexoside |
35, 36, 37, 38, 39 | 6.8, 7.1, 8.0, 8.5, 8.9 | 787.09950 | 787.09939 | −0.1 | C34H28O22 | 169.01361, 393.34982 | Tetragalloyl glucose |
40 | 9.2 | 300.99786 | 300.99844 | −1.9 | C14H6O8 | 145.02748, 229.01413, 283.99356 | Ellagic acid * |
41 | 9.5 | 449.10773 | 449.10838 | −1.4 | C21H22O11 | 151.00166, 227.12791, 287.05559 | Eriodictyol hexoside |
42 | 9.9 | 463.08719 | 463.08765 | −1.0 | C21H20O12 | 300.02418, 301.03161, 271.02316 | Quercetin−3-O-glucoside * |
43 | 10.1 | 471.18617 | 471.18663 | −1.0 | C22H32O11 | 153.09122, 263.13877, 219.13877 | Abscisic acid glucose ester (formate adduct) |
44, 45 | 10.2, 16.0 | 263.12825 | 263.12833 | −0.3 | C15H20O4 | 153.09088, 219.13969, 245.84075 | Abscisic acid |
46 | 11.0 | 939.11025 | 939.11035 | −0.1 | C41H32O26 | 169.01349, 617.07628, 769.08941 | Pentagalloyl glucose |
Compounds | Retention Time | Mean ± std Error (µmol/L) | p Value | Transition | ||
---|---|---|---|---|---|---|
(min) | 0 h (Fasting) | 24 h (Fasting) | 15 Days (Fasting) | 24 h vs. 15 Days | (m/z) | |
Benzoic acid Derivatives | ||||||
* 3,4-Dihydroxybenzoic acid q | 4.2 | 2.4 ± 0.7 | 1.1 ± 0.3 | 0.8 ± 0.2 | NS | 153.0 → 109.0 |
* 2,5-Dihydroxybenzoic acid r | 5.8 | 6.7 ± 1.6 | 4.9 ± 1.0 | 7.9 ± 2.7 | NS | 153.0 → 109.0 |
* 2,3-Dihydroxybenzoic acid s | 6.5 | 0.3 ± 0.1 | 0.2 ± 0.1 | 0.3 ± 0.1 | NS | 153.0 → 109.0 |
Dihydroxybenzoic acid sulfate isomer 1 t | 3.5 | 1.3 ± 0.5 | 0.7 ± 0.2 | 2.3 ± 1.0 | NS | 233.0 → 153.0 |
Dihydroxybenzoic acid sulfate isomer 2 t | 4.2 | 18.3 ± 4.7 | 8.1 ± 1.8 | 12.8 ± 3.3 | NS | 233.0 → 153.0 |
Dihydroxybenzoic acid sulfate isomer 3 t | 5.0 | 5.8 ± 1.8 | 2.7 ± 0.6 | Not detected | N/A | 233.0 → 153.0 |
Dihydroxybenzoic acid sulfate isomer 4 t | 6.6 | 1.1 ± 0.7 | 1.0 ± 0.3 | 1.3 ± 0.2 | NS | 233.0 → 153.0 |
* 4-Hydroxybenzoic acid a | 5.4 | 6.1 ± 1.0 | 5.9 ± 0.9 | 5.4 ± 0.8 | NS | 137.0 → 93.0 |
* Hydroxybenzoic acid 1 a | 5.0 | 3.8 ± 0.8 | 2.7 ± 0.5 | 2.4 ± 0.7 | NS | 137.0 → 93.0 |
* Hydroxybenzoic acid 2 a | 4.4 | 3.4 ± 1.7 | 1.3 ± 0.1 | 2.6 ± 1.8 | NS | 137.0 → 93.0 |
* Hydroxybenzoic acid 3 a | 10.9 | 1.9 ± 0.3 | 2.9 ± 0.6 | 3.2 ± 1.5 | NS | 137.0 → 93.0 |
Hydroxybenzoic acid hexoside a | 4.4 | 0.6 ± 0.0 | 0.5 ± 0.0 | 0.2 ± 0.0 | NS | 299.1 → 137.0 |
Hydroxybenzoic acid sulfate isomer 1 a | 4.5 | 6.9 ± 4.3 | 2.5 ± 0.5 | 6.3 ± 4.2 | NS | 217.0 → 137.0 |
Hydroxybenzoic acid sulfate isomer 2 a | 11.7 | 5.0 ± 1.4 | 7.0 ± 3.6 | 16.7 ± 7.0 | NS | 217.0 → 137.0 |
Hydroxybenzoic acid glucuronide isomer 1 a | 3.7 | 0.6 ± 0.0 | 0.4 ± 0.0 | 0.3 ± 0.0 | <0.05 | 313.1 → 137.0 |
Hydroxybenzoic acid glucuronide isomer 2 a | 4.7 | 1.0 ± 0.2 | 0.8 ± 0.1 | 0.8 ± 0.4 | NS | 313.1 → 137.0 |
Hydroxybenzoic acid glucuronide isomer 3 a | 6.6 | 0.9 ± 0.1 | 0.7 ± 0.1 | 0.6 ± 0.2 | NS | 313.1 → 137.0 |
Hydroxybenzoic acid glucuronide isomer 4 a | 8.0 | 0.5 ± 0.0 | 0.4 ± 0.0 | 0.2 ± 0.0 | <0.05 | 313.1 → 137.0 |
* Vanillic acid (4-Hydroxy-3-methoxybenzoic acid) b | 6.4 | 4.9 ± 0.9 | 4.4 ± 0.7 | 4.1 ± 1.0 | NS | 167.0 → 152.0 |
* Hydroxymethoxybenzoic acid isomer 1 b | 5.6 | 4.6 ± 0.7 | 3.4 ± 0.3 | 5.5 ± 1.2 | NS | 167.0 → 152.0 |
Methoxybenzoic acid glucuronide isomer 1 d | 1.3 | 14.0 ± 8.0 | 7.4 ± 3.0 | 2.7 ± 0.6 | NS | 343.1 → 167.0 |
Methoxybenzoic acid glucuronide isomer 2 d | 3.6 | 2.8 ± 0.7 | 1.4 ± 0.2 | 2.2 ± 0.6 | NS | 343.1 → 167.0 |
Methoxybenzoic acid glucuronide isomer 3 d | 4.3 | 5.8 ± 2.7 | 2.9 ± 0.6 | 7.3 ± 2.5 | NS | 343.1 → 167.0 |
Methoxybenzoic acid sulfate isomer 1 d | 3.7 | 132.2 ± 26.0 | 59.4 ± 12.3 | 77.2 ± 23.2 | NS | 247.0 → 167.0 |
Methoxybenzoic acid sulfate isomer 2 d | 5.7 | 43.7 ± 14.3 | 33.6 ± 76 | 45.7 ± 10.9 | NS | 247.0 → 167.0 |
Methoxybenzoic acid sulfate isomer 3 d | 7.2 | 2.0 ± 0.5 | 0.8 ± 0.1 | 1.1 ± 0.2 | NS | 247.0 → 167.0 |
Methoxybenzoic acid sulfate isomer 4 d | 9.0 | 5.7 ± 1.6 | 4.3 ± 0.7 | 4.3 ± 2.4 | NS | 247.0 → 167.0 |
* Gallic acid (3,4,5-Trihydroxybenzoic acid) c | 2.4 | 0.2 ± 0.0 | 0.2 ± 0.0 | 0.1 ± 0.0 | <0.05 | 169.0 → 125.0 |
Gallic acid derivative isomer 1 c | 9.0 | 0.3 ± 0.1 | 0.4 ± 0.2 | 1.0 ± 0.3 | NS | 311.0 → 125.0 |
Gallic acid derivative isomer 2 c | 12.0 | 0.1 ± 0.0 | 0.1 ± 0.0 | 0.2 ± 0.1 | NS | 311.0 → 125.0 |
Galloylshikimic acid isomer 1 c | 1.7 | 0.6 ± 0.1 | 0.4 ± 0.1 | 0.3 ± 0.1 | NS | 325.1 → 125.0 |
Galloylshikimic acid isomer 2 c | 2.4 | 0.5 ± 0.1 | 0.2 ± 0.0 | 0.4 ± 0.1 | NS | 325.1 → 125.0 |
Galloylshikimic acid isomer 3 c | 4.7 | 0.4 ± 0.2 | 0.5 ± 0.1 | 0.8 ± 0.2 | NS | 325.1 → 125.0 |
Galloylshikimic acid isomer 4 c | 9.7 | 0.1 ± 0.0 | 0.1 ± 0.1 | 0.4 ± 0.1 | NS | 325.1 → 125.0 |
Galloyl glucose isomer 1 c | 1.3 | 0.2 ± 0.0 | 0.1 ± 0.0 | 0.1 ± 0.0 | NS | 331.1 → 125.0 |
Galloyl glucose isomer 2 c | 3.5 | 0.1 ± 0.0 | 0.1 ± 0.0 | 0.2 ± 0.1 | NS | 331.1 → 169.0 |
Methyl gallate isomer 1 c | 4.6 | 0.6 ± 0.1 | 0.5 ± 0.1 | 2.2 ± 1.1 | NS | 183.2 → 124.0 |
Methyl gallate isomer 2 c | 9.4 | 0.9 ± 0.3 | 0.6 ± 0.2 | 0.7 ± 0.2 | NS | 183.2 → 124.0 |
Methylgallic acid sulfate isomer 1 c | 2.3 | 1.9 ± 0.2 | 1.9 ± 0.2 | 1.2 ± 0.2 | <0.05 | 263.1 → 168.0 |
Methylgallic acid sulfate isomer 2 c | 4.8 | 2.0 ± 0.6 | 2.7 ± 0.5 | 23.2 ± 11.4 | NS | 263.1 → 168.0 |
Methylgallic acid sulfate isomer 3 c | 5.2 | 1.4 ± 0.6 | 0.6 ± 0.1 | 1.8 ± 0.6 | <0.05 | 263.1 → 168.0 |
Methylgallic acid sulfate isomer 4 c | 6.8 | 0.6 ± 0.1 | 0.9 ± 0.2 | 0.5 ± 0.2 | NS | 263.1 → 168.0 |
Methylgallic acid sulfate isomer 5 c | 7.7 | 3.8 ± 0.7 | 4.6 ± 0.9 | 4.3 ± 1.4 | NS | 263.1 → 168.0 |
Syringic acid (3,5-Dimethoxy-4-hydroxybenzoic acid) m | 2.4 | 3.6 ± 0.4 | 5.9 ± 0.8 | 1.7 ± 0.2 | <0.05 | 197.0 → 137.0 |
Total | 299.3 ± 40.6 | 181.2 ± 25.7 | 253.2 ± 47.5 | NS | ||
Phenylacetic acid Derivatives | ||||||
* 3,4-Dihydroxyphenylacetic acid d | 4.2 | 8.0 ± 1.6 | 4.5 ± 0.8 | 3.8 ± 0.4 | NS | 167.0 → 123.0 |
* Dihydroxyphenylacetic acid isomer 1 d | 1.4 | 4.7 ± 0.4 | 5.1 ± 0.4 | 2.6 ± 0.1 | <0.05 | 167.0 → 123.0 |
* Dihydroxyphenylacetic acid isomer 2 d | 2.9 | 2.3 ± 0.3 | 2.0 ± 0.2 | 1.5 ± 0.2 | NS | 167.0 → 123.0 |
Hydroxymethoxyphenylacetic acid sulfate isomer 1 b | 1.8 | 19.5 ± 2.6 | 14.9 ± 2.3 | 9.7 ± 1.4 | <0.05 | 261.0 → 181.0 |
Hydroxymethoxyphenylacetic acid sulfate isomer 2 b | 4.5 | 8.7 ± 2.2 | 7.6 ± 1.5 | 8.9 ± 1.8 | NS | 261.0 → 181.0 |
Hydroxymethoxyphenylacetic acid sulfate isomer 3 b | 5.4 | 7.8 ± 3.7 | 2.9 ± 0.8 | 5.5 ± 1.3 | NS | 261.0 → 181.0 |
Hydroxymethoxyphenylacetic acid sulfate isomer 4 b | 6.2 | 20.1 ± 4.2 | 12.4 ± 2.6 | 56.7 ± 18.2 | <0.05 | 261.0 → 181.0 |
Hydroxymethoxyphenylacetic acid sulfate isomer 5 b | 7.6 | 21.2 ± 5.0 | 11.5 ± 2.9 | 39.2 ± 10.1 | <0.05 | 261.0 → 181.0 |
* 4-Hydroxyphenylacetic acid e | 6.5 | 4.2 ± 1.3 | 2.6 ± 0.6 | 3.0 ± 0.9 | NS | 151.0 → 107.0 |
*Hydroxyphenylacetic acid isomer 1e | 1.5 | 45.7 ± 8.1 | 42.0 ± 6.2 | 26.1 ± 3.9 | NS | 151.0 → 108.0 |
Methylphenylacetic acid sulfate isomer 1 e | 3.6 | 262.2 ± 44.6 | 166.8 ± 34.0 | 201.3 ± 37.3 | NS | 229.0 → 149.0 |
Methylphenylacetic acid sulfate isomer 2 e | 4.4 | 61.7 ± 9.3 | 39.6 ± 7.8 | 50.8 ± 11.3 | NS | 229.0 → 149.0 |
Methylphenylacetic acid sulfate isomer 3 e | 6.7 | 19.6 ± 3.8 | 12.9 ± 2.8 | 10.2 ± 1.5 | NS | 229.0 → 149.0 |
Methylphenylacetic acid sulfate isomer 4 e | 10.7 | 16.1 ± 3.1 | 14.2 ± 3.4 | 37.7 ± 11.2 | NS | 229.0 → 149.0 |
Methylphenylacetic acid sulfate isomer 5 e | 13.6 | 141.4 ± 71.2 | 74.0 ± 24.0 | 265.4 ± 126.5 | NS | 229.0 → 149.0 |
Methylphenylacetic acid sulfate isomer 6 e | 14.5 | 13.8 ± 4 | 6.8 ± 2.5 | 16.5 ± 3.9 | <0.05 | 229.0 → 149.0 |
Methylphenylacetic acid glucuronide isomer 1 e | 1.9 | 14.8 ± 9 | 10.6 ± 2.1 | 3.5 ± 0.9 | <0.05 | 325.1 → 149.0 |
Methylphenylacetic acid glucuronide isomer 2 e | 7.3 | 1.6 ± 3.0 | 2.0 ± 0.8 | 2.6 ± 0.8 | NS | 325.1 → 149.0 |
Methylphenylacetic acid glucuronide isomer 3 e | 9.7 | 4.1 ± 1.2 | 2.2 ± 0.6 | 3.6 ± 1.3 | NS | 325.1 → 149.0 |
Methylphenylacetic acid glucuronide isomer 4 e | 10.7 | 3.3 ± 1.5 | 1.7 ± 0.8 | 5.0 ± 2.5 | NS | 325.1 → 149.0 |
Methylphenylacetic acid glucuronide isomer 5 e | 11.2 | 1.0 ± 0.3 | 0.4 ± 0.1 | 2.3 ± 0.9 | <0.05 | 325.1 → 149.0 |
Methylphenylacetic acid glucuronide isomer 6 e | 14.7 | 20.3 ± 7.5 | 25.4 ± 17.8 | 24.2 ± 11.0 | NS | 325.1 → 149.0 |
Total | 702.1 ± 120.0 | 462.1 ± 67.5 | 780.1 ± 158.8 | NS | ||
Phenylpropanoic acid Derivatives | ||||||
* 3-Hydroxyphenylpropanoic acid f | 8.0 | 3.1 ± 0.8 | 2.0 ± 0.3 | 4.4 ± 1.9 | NS | 165.1 → 121.0 |
* Hydroxyphenylpropanoic acid isomer 1 f | 5.5 | 4.0 ± 0.6 | 6.3 ± 2.4 | 8.2 ± 5.8 | NS | 165.1 → 121.0 |
* Hydroxyphenylpropanoic acid isomer 2 f | 6.5 | 9.7 ± 2.0 | 12.3 ± 4.6 | 40.5 ± 26.9 | NS | 165.1 → 121.0 |
* Hydroxyphenylpropanoic acid isomer 3 f | 6.9 | 1.7 ± 0.9 | 2.8 ± 1.8 | 1.3 ± 0.4 | NS | 165.1 → 121.0 |
Hydroxyphenylpropanoic acid sulfate isomer 1 f | 2.4 | 55.5 ± 9.5 | 33.0 ± 8.4 | 18.7 ± 2.7 | NS | 245.0 → 165.0 |
Hydroxyphenylpropanoic acid sulfate isomer 2 f | 9.0 | 57.9 ± 21.5 | 44.9 ± 18.8 | 72.2 ± 33.2 | NS | 245.0 → 165.0 |
Hydroxyphenylpropanoic acid sulfate isomer 3 f | 10.3 | 42.1 ± 18.3 | 30.4 ± 12.0 | 39.3 ± 15.1 | NS | 245.0 → 165.0 |
Hydroxyphenylpropanoic acid sulfate isomer 4 f | 13.8 | 57.9 ± 14.1 | 106.3 ± 23.7 | 68.0 ± 21.7 | NS | 245.0 → 165.0 |
Hydroxyphenylpropanoic acid glucuronide isomer 1 m | 3.3 | 0.5 ± 0.1 | 0.3 ± 0.1 | 0.3 ± 0.1 | NS | 357.1 → 113.0 |
Hydroxyphenylpropanoic acid glucuronide isomer 2 m | 4.8 | 0.4 ± 0.1 | 0.1 ± 0.0 | 0.3 ± 0.0 | <0.05 | 357.1 → 113.0 |
Hydroxyphenylpropanoic acid glucuronide isomer 3 m | 4.3 | 0.1 ± 0.0 | 0.1 ± 0.0 | 0.1 ± 0.0 | <0.05 | 357.1 → 113.0 |
Hydroxyphenylpropanoic acid glucuronide isomer 4 m | 5.8 | 0.2 ± 0.1 | 0.1 ± 0.0 | 0.2 ± 0.1 | <0.05 | 357.1 → 113.0 |
Hydroxyphenylpropanoic acid glucuronide isomer 5 m | 6.6 | 0.1 ± 0.1 | 0.04 ± 0.01 | 0.2 ± 0.1 | <0.05 | 357.1 → 113.0 |
Dihydroxyphenylpropanoic acid isomer 1 m | 3.1 | 0.1 ± 0.0 | 0.1 ± 0.0 | 0.1 ± 0.0 | NS | 181.1 → 119.0 |
Dihydroxyphenylpropanoic acid isomer 2 m | 4.0 | 4.4 ± 1.3 | 1.5 ± 0.3 | 3.6 ± 0.8 | <0.05 | 181.1 → 119.0 |
Dihydroxyphenylpropanoic acid isomer 3 m | 4.8 | 0.1 ± 0.1 | 0.04 ± 0.02 | 0.1 ± 0.1 | NS | 181.1 → 119.0 |
Hydroxymethoxyphenylpropanoic acid isomer 1 n | 3.8 | 0.9 ± 0.1 | 0.5 ± 0.1 | 1.0 ± 0.3 | NS | 195.1 → 121.0 |
Hydroxymethoxyphenylpropanoic acid isomer 2 n | 8.2 | 0.8 ± 0.2 | 0.8 ± 0.2 | 0.8 ± 0.2 | NS | 195.1 → 121.0 |
Hydroxymethoxyphenylpropanoic acid isomer 3 n | 10.5 | 0.6 ± 0.2 | 1.1 ± 0.6 | 1.3 ± 0.8 | NS | 195.1 → 121.0 |
Methoxyphenylpropanoic acid glucuronide isomer 1 f | 4.4 | 2.5 ± 0.8 | 1.6 ± 0.3 | 2.1 ± 1.2 | NS | 371.1 → 195.0 |
Methoxyphenylpropanoic acid glucuronide isomer 2 f | 5.4 | 4.9 ± 1.1 | 3.8 ± 0.9 | 5.3 ± 1.8 | NS | 371.1 → 195.0 |
Methoxyphenylpropanoic acid glucuronide isomer 3 f | 6.5 | 8.4 ± 1.9 | 6.0 ± 1.4 | 22.4 ± 14.9 | NS | 371.1 → 195.0 |
Methoxyphenylpropanoic acid sulfate isomer 1 f | 4.9 | 10.8 ± 2.5 | 9.5 ± 2.1 | 13.3 ± 5.3 | NS | 275.0 → 195.0 |
Methoxyphenylpropanoic acid sulfate isomer 2 f | 6.2 | 2.7 ± 1.3 | 0.8 ± 0.4 | Not detected | N/A | 275.0 → 195.0 |
Methoxyphenylpropanoic acid sulfate isomer 3 f | 6.9 | 39.3 ± 15.3 | 23.2 ± 5.6 | 49.8 ± 13.8 | NS | 275.0 → 195.0 |
Methoxyphenylpropanoic acid sulfate isomer 4 f | 8.4 | 14.2 ± 8.4 | 16.6 ± 10.1 | 6.5 ± 2.0 | NS | 275.0 → 195.0 |
Total | 322.7 ± 44.7 | 304.0 ± 50.2 | 360.0 ± 79.3 | NS | ||
Benzaldehyde Derivatives | ||||||
* 4-Hydroxybenzaldehyde g | 6.6 | 0.2 ± 0.1 | 0.2 ± 0.0 | 0.2 ± 0.0 | NS | 121.0 → 92.0 |
Total | 0.2 ± 0.1 | 0.2 ± 0.1 | 0.3 ± 0.0 | NS | ||
Pyrogallol Derivatives | ||||||
Pyrogallol sulfate isomer 1 h | 1.7 | 107.1 ± 16.5 | 84.5 ± 15.9 | 84.1 ± 18.8 | NS | 205. 0 → 125.0 |
Pyrogallol sulfate isomer 2 h | 2.6 | 93.2 ± 30.5 | 105.8 ± 19.1 | 80.9 ± 30.4 | NS | 205. 0 → 125.0 |
Pyrogallol sulfate isomer 3 h | 4.9 | 3377.4 ± 1910.4 | 4728.0 ± 1052.2 | 8496.0 ± 2091.8 | <0.05 | 205. 0 → 125.0 |
Pyrogallol sulfate isomer 4 h | 7.7 | 21.5 ± 5.2 | 10.5 ± 2.1 | 16.6 ± 2.9 | NS | 205. 0 → 125.0 |
Methylpyrogallol sulfate isomer 1 h | 3.2 | 138.4 ± 23.8 | 130.6 ± 27.3 | 83.1 ± 33.0 | NS | 219.2 → 139.0 |
Methylpyrogallol sulfate isomer 2 h | 3.9 | 119.3 ± 60.6 | 82.3 ± 20.0 | 134.7 ± 31.7 | NS | 219.2 → 139.0 |
Methylpyrogallol sulfate isomer 3 h | 5.8 | 279.4 ± 152.6 | 421.8 ± 104.3 | 520.8 ± 98.9 | NS | 219.2 → 139.0 |
Methylpyrogallol sulfate isomer 4 h | 8.2 | 22.6 ± 6.9 | 8.1 ± 2.4 | 30.3 ± 10.6 | NS | 219.2 → 139.0 |
Methylpyrogallol glucuronide isomer 1 h | 5.0 | Not detected | 1.7 ± 1.0 | 9.5 ± 1.5 | <0.05 | 315.1 → 216.9 |
Methylpyrogallol glucuronide isomer 2 h | 5.4 | Not detected | 0.6 ± 0.6 | 0.9 ± 0.6 | NS | 315.1 → 216.9 |
Total | 4158.9 ± 2151.9 | 5574.0 ± 1196.6 | 9456.9 ± 2208.5 | <0.05 | ||
Catechol Derivatives | ||||||
* Catechol (Benzene-1,2-diol) h | 4.1 | 18.7 ± 12.2 | 15.7 ± 4.1 | 15.1 ± 4.0 | NS | 109.0 → 108.0 |
Catechol methyl sulfate isomer 1 h | 5.7 | 1189.1 ± 1011.8 | 694.8 ± 244.2 | 768.9 ± 252.8 | NS | 203.0 → 123.0 |
Catechol methyl sulfate isomer 2 h | 7.7 | 8228. 2 ± 1836.0 | 4126.2 ± 827.0 | 5717. 8 ± 903.8 | NS | 203.0 → 123.0 |
Catechol sulfate isomer 1 h | 2.6 | 442.0 ± 118.7 | 265.0 ± 77.6 | 337.5 ± 76.5 | NS | 189.0 → 109.0 |
Catechol sulfate isomer 2 h | 3.5 | 36.4 ± 21.6 | 93.8 ± 58.3 | 664.8 ± 575.0 | NS | 189.0 → 109.0 |
Catechol sulfate isomer 3 h | 4.6 | 42919.4 ± 26,920.7 | 26,826.7 ± 5601.6 | 35,686.6 ± 8264.9 | NS | 189.0 → 109.0 |
Catechol sulfate isomer 4 h | 8.5 | 287.3 ± 79.8 | 182.0 ± 50.9 | 201.2 ± 44.3 | NS | 189.0 → 109.0 |
Catechol glucuronide isomer 1 h | 1.7 | 38.7 ± 5.8 | 36.0 ± 5.8 | 14.7 ± 3.8 | <0.05 | 285.1 → 109.0 |
Catechol glucuronide isomer 2 h | 2.4 | 0.1 ± 0.1 | 2.2 ± 0.9 | 2.8 ± 2.3 | NS | 285.1 → 109.0 |
Catechol glucuronide isomer 3 h | 4.3 | 123.2 ± 116.6 | 14.6 ± 6.8 | 15.7 ± 5.7 | NS | 285.1 → 109.0 |
Catechol glucuronide isomer 4 h | 6.7 | 1.4 ± 0.6 | 0.8 ± 0.4 | 1.4 ± 0.4 | NS | 285.1 → 109.0 |
Dicatechol sulfate isomer 1 h | 3.8 | 21.5 ± 4.3 | 14.2 ± 3.0 | 14.8 ± 4.2 | NS | 299.0 → 109.0 |
Dicatechol sulfate isomer 2 h | 4.3 | 5.2 ± 1.4 | 1.1 ± 0.5 | 2.3 ± 0.8 | NS | 299.0 → 109.0 |
Dicatechol sulfate isomer 3 h | 5.2 | 15.9 ± 2.1 | 5.1 ± 1.0 | 3.1 ± 0.5 | <0.05 | 299.0 → 109.0 |
Total | 53327.3 ± 28063.0 | 32278.3 ± 5964.0 | 43446.6 ± 9154.8 | NS | ||
Hippuric acid Derivatives | ||||||
* Hippuric acid i | 5.1 | 2805. 9 ± 568.8 | 3706.9 ± 582.3 | 2023.6 ± 241.9 | <0.05 | 178.1 → 77.0 |
Hippuric acid conjugate 1 i | 1.3 | 1.3 ± 0.4 | 0.8 ± 0.4 | 0.4 ± 0.1 | NS | 311.0 → 135.0 |
Hippuric acid conjugate 2 i | 4.6 | 0.2 ± 0.1 | 11.7 ± 11.2 | 1.6 ± 1.2 | NS | 311.0 → 135.0 |
Hippuric acid conjugate 3 i | 8.8 | 0.3 ± 0.3 | Not detected | 0.4 ± 0.2 | N/A | 311.0 → 135.0 |
Hippuric acid conjugate 4 i | 13.6 | Not detected | Not detected | 0.4 ± 0.3 | N/A | 311.0 → 135.0 |
Hippuric acid sulfate isomer 1 i | 2.1 | 6.9 ± 2.9 | 1.9 ± 0.8 | 4.9 ± 2.8 | NS | 258.0 → 178.0 |
Hippuric acid sulfate isomer 2 i | 3.5 | 135.0 ± 100.0 | 71.0 ± 47.5 | 53.6 ± 26.3 | NS | 258.0 → 178.0 |
Hippuric acid sulfate isomer 3 i | 5.2 | 59.5 ± 22.1 | 39.9 ± 13.5 | 20.4 ± 6.9 | NS | 258.0 → 178.0 |
Hippuric acid sulfate isomer 4 i | 6.3 | 31.5 ± 16.8 | 13.7 ± 7.7 | 15.7 ± 5.4 | NS | 258.0 → 178.0 |
Hippuric acid sulfate isomer 5 i | 7.3 | Not detected | 1.7 ± 1.2 | 26.1 ± 6.4 | <0.05 | 258.0 → 178.0 |
Hippuric acid sulfate isomer 6 i | 7.2 | 126.3 ± 71.9 | 36.2 ± 14.9 | 25.7 ± 6.4 | NS | 258.0 → 178.0 |
Hydroxyhippuric acid isomer 1 i | 3.6 | 180.0 ± 63.2 | 120.3 ± 34.4 | 193.4 ± 36.4 | NS | 194.0 → 93.0 |
Hydroxyhippuric acid isomer 2 i | 4.0 | 122.3 ± 42.2 | 40.6 ± 11.2 | 159.3 ± 31.1 | <0.05 | 194.0 → 93.0 |
Hydroxyhippuric acid isomer 3 i | 8.1 | 377.3 ± 180.7 | 262.6 ± 62.5 | 1.2 ± 160/7 | NS | 194.0 → 93.0 |
* 4-Methylhippuric acid t | 7.9 | 2.0 ± 1.0 | 1.5 ± 0.9 | 1.2 ± 0.4 | NS | 192.0 → 91.0 |
Methyl hippurate i | 6.6 | 2.8 ± 2.3 | 7.8 ± 2.1 | 6.3 ± 1.7 | NS | 192.1 → 77.0 |
Total | 3851.3 ± 681.7 | 4316.8 ± 625.7 | 2951.4 ± 306.3 | <0.05 | ||
Cinnamic acid Derivatives | ||||||
* Caffeic acid (3’,4’-Dihydroxycinnamic acid) m | 6.6 | 0.1 ± 0.0 | Not detected | 0.1 ± 0.0 | N/A | 179.0 → 135.0 |
* Caffeic acid isomer m | 4.9 | 1.0 ± 0.2 | 1.4 ± 0.2 | 0.6 ± 0.1 | <0.05 | 179.0 → 135.0 |
* Ferulic acid (4’-Hydroxy-3’-methoxycinnamic acid) n | 10.2 | 0.5 ± 0.1 | 0.4 ± 0.1 | 0.4 ± 0.1 | NS | 193.1 → 134.0 |
* Ferulic acid isomer 1 n | 8.4 | 1.4 ± 0.4 | 0.9 ± 0.1 | 2.5 ± 1.0 | NS | 193.1 → 134.0 |
* Ferulic acid isomer 2 n | 12.2 | 0.5 ± 0.1 | 0.5 ± 0.1 | 0.2 ± 0.0 | <0.05 | 193.1 → 134.0 |
Methoxycinnamic acid glucuronide isomer 1 n | 5.6 | 4.5 ± 1.7 | 3.7 ± 0.9 | 7.6 ± 3.4 | NS | 369.1 → 193.0 |
Methoxycinnamic acid glucuronide isomer 2 n | 6.9 | 3.3 ± 1.1 | 2.4 ± 0.4 | 5.5 ± 3.0 | NS | 369.1 → 193.0 |
Methoxycinnamic acid glucuronide isomer 3 n | 7.5 | 0.4 ± 0.1 | 0.5 ± 0.1 | 0.3 ± 0.1 | NS | 369.1 → 193.0 |
Methoxycinnamic acid glucuronide isomer 4 n | 8.6 | 1.0 ± 0.3 | 0.4 ± 0.2 | 0.7 ± 0.3 | NS | 369.1 → 193.0 |
Methoxycinnamic acid glucuronide isomer 5 n | 9.6 | 0.7 ± 0.2 | 0.5 ± 0.1 | 1.0 ± 0.4 | NS | 369.1 → 193.0 |
Methoxycinnamic acid sulfate isomer 1 n | 11.0 | 2.9 ± 1.4 | 1.0 ± 0.3 | 9.3 ± 7.3 | NS | 273.0 → 193.0 |
Methoxycinnamic acid sulfate isomer 2 n | 11.9 | 3.7 ± 0.9 | 1.2 ± 0.4 | 3.6 ± 1.5 | NS | 273.0 → 193.0 |
Ferulic acid hexoside isomer 1 n | 4.7 | 0.7 ± 0.1 | 0.6 ± 0.1 | 0.6 ± 0.1 | NS | 355.1 → 135.0 |
Ferulic acid hexoside isomer 2 n | 5.8 | 1.4 ± 0.3 | 1.9 ± 0.7 | 5.2 ± 2.9 | NS | 355.1 → 135.0 |
Ferulic acid hexoside isomer 3 n | 6.1 | 0.6 ± 0.3 | 1.1 ± 0.6 | 2.2 ± 1.4 | NS | 355.1 → 135.0 |
Ferulic acid hexoside isomer 4 n | 8.5 | 0.4 ± 0.1 | 0.3 ± 0.1 | 0.3 ± 0.1 | NS | 355.1 → 135.0 |
Ferulic acid hexoside isomer 5 n | 12.5 | 0.9 ± 0.2 | 0.8 ± 0.3 | 1.5 ± 0.8 | NS | 355.1 → 135.0 |
Ferulic acid derivative isomer 1 n | 4.0 | 11.7 ± 2.6 | 7.1 ± 1.7 | 9.9 ± 2.5 | NS | 211.1 → 136.0 |
Ferulic acid derivative isomer 2 n | 4.6 | 6.2 ± 2.3 | 2.0 ± 0.4 | 17.3 ± 14.3 | NS | 211.1 → 136.0 |
* p-Coumaric acid (4’-Hydroxycinnamic acid) j | 8.8 | 0.5 ± 0.1 | 0.4 ± 0.1 | 0.3 ± 0.0 | <0.05 | 163.0 → 119.0 |
* m-Coumaric acid (3’-Hydroxycinnamic acid) k | 10.0 | 0.8 ± 0.1 | 0.7 ± 0.1 | 0.7 ± 0.1 | NS | 163.0 → 119.0 |
* o-Coumaric acid (2’-Hydroxycinnamic acid) l | 11.5 | 0.9 ± 0.1 | 0.9 ± 0.0 | 0.5 ± 0.1 | <0.05 | 163.0 → 119.0 |
* Coumaric acid isomer 1 j | 8.2 | 3.4 ± 2.7 | 1.4 ± 0.8 | 0.6 ± 0.1 | NS | 163.0 → 119.0 |
Total | 47.3 ± 9.2 | 30.2 ± 3.3 | 70.9 ± 27.8 | NS | ||
Valerolactone Derivatives | ||||||
Trihydroxyphenyl-γ-valerolactone sulfate isomer 1 p | 5.7 | Not detected | Not detected | 0.3 ± 0.2 | N/A | 303.0 → 223.1 |
Trihydroxyphenyl-γ-valerolactone sulfate isomer 2 p | 12.0 | 0.05 ± 0.04 | 0.03 ± 0.02 | 0.03 ± 0.01 | NS | 303.0 → 223.1 |
Dihydroxyphenyl-γ-valerolactone glucuronide isomer 1 p | 4.5 | Not detected | Not detected | 0.1 ± 0.1 | N/A | 383.1 → 207.1 |
Dihydroxyphenyl-γ-valerolactone glucuronide isomer 2 p | 5.9 | 0.1 ± 0.1 | 0.01 ± 0.01 | 0.2 ± 0.1 | NS | 383.1 → 207.1 |
Dihydroxyphenyl-γ-valerolactone glucuronide isomer 3 p | 6.2 | 0.6 ± 0.3 | 0.02 ± 0.01 | 1.3 ± 0.5 | <0.05 | 383.1 → 207.1 |
Dihydroxyphenyl-γ-valerolactone sulfate isomer 1 o | 6.3 | 1.1 ± 0.6 | 0.7 ± 0.7 | 3.8 ± 2.6 | NS | 287.0 → 207.0 |
Dihydroxyphenyl-γ-valerolactone sulfate isomer 2 o | 7.8 | 62.3 ± 20.5 | 13.3 ± 4.5 | 68.7 ± 21.8 | <0.05 | 287.0 → 207.0 |
Total | 64.1 ± 20.7 | 14.1 ± 4.7 | 74.4 ± 24.1 | <0.05 | ||
Others | ||||||
Abscisic acid hexoside p | 13.0 | 0.7 ± 0.2 | 0.5 ± 0.1 | 0.3 ± 0.1 | NS | 425.2 → 219.0 |
Abscisic acid sulfate isomer 1 p | 1.6 | 13.4 ± 3.4 | 9.4 ± 1.3 | 8.2 ± 1.3 | NS | 255.0 → 115.0 |
Abscisic acid sulfate isomer 2 p | 1.9 | Not detected | Not detected | 10.7 ± 2.8 | N/A | 255.0 → 115.0 |
Total | 14.1 ± 3.5 | 9.9 ± 1.4 | 19.1 ± 2.8 | <0.05 | ||
Total for all compounds | 62,787.4 ± 31135.4 | 43,170.7 ± 7939.3 | 57,412.7 ± 12010.0 | NS |
Item Name | Quantity | Measure | Wgt (g) | Cals (kcal) | FatCals (kcal) | Prot (g) | Carb (g) | TotFib (g) | Sugar (g) | SugAdd (g) | Fat (g) |
---|---|---|---|---|---|---|---|---|---|---|---|
Test beverage—MP | 600.0 | 321.4 | 0 | 0 | 85.7 | 7.1 | 75.0 | 0 | 0 | ||
Water, tap | 100 | Gram | 100.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Mango, frozen | 500 | Gram | 500.0 | 321.4 | 0 | 0 | 85.7 | 7.1 | 75.0 | -- | 0 |
Test beverage—MP + VC | 600.1 | 321.4 | 0 | 0 | 85.7 | 7.1 | 75.0 | 0 | 0 | ||
Mango, frozen | 500 | Gram | 500.0 | 321.4 | 0 | 0 | 85.7 | 7.1 | 75.0 | -- | 0 |
Ascorbic acid, VC, food grade | 100 | Milligram | 0.1 | 0 | 0 | 0 | 0 | 0 | 0 | -- | 0 |
Water, tap | 100 | Gram | 100.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Test beverage—VC | 600.1 | 286.9 | 0 | 0 | 75.0 | 0 | 73.1 | 61.6 | 0 | ||
Sugar, white, granulated | 38 | Gram | 38.0 | 147.1 | 0 | 0 | 38.0 | 0 | 37.9 | 37.9 | 0 |
Fructose, powder | 25.5 | Gram | 25.5 | 93.8 | 0 | 0 | 25.5 | 0 | 23.6 | 23.6 | 0 |
Dextrose | 11.5 | Gram | 11.5 | 46 | -- | 0 | 11.5 | 0 | 11.5 | -- | -- |
Ascorbic acid, VC, food grade | 100 | Milligram | 0.1 | 0 | 0 | 0 | 0 | 0 | 0 | -- | 0 |
Water, tap | 525 | Gram | 525.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Breakfast | 247.0 | 568.2 | 216.1 | 16.7 | 74.6 | 0 | 32.1 | 0 | 24.0 | ||
Biscuits, buttermilk, frozen | 2 | Each | 118.0 | 340.0 | 144.0 | 8.0 | 44.0 | -- | 4.0 | -- | 16.0 |
Butter, unsalted, sweet cream | 8 | Gram | 8.0 | 57.1 | 56.6 | 0 | -- | 0 | 0 | -- | 6.3 |
Jelly, apple | 46 | Gram | 46.0 | 115.0 | 0 | 0 | 29.9 | 0 | 27.6 | -- | 0 |
Egg white, raw | 70 | Gram | 70.0 | 36.4 | 1.1 | 7.6 | 0.5 | 0 | 0.5 | 0 | 0.1 |
Cheese, cheddar, sharp, finely shredded | 5 | Gram | 5.0 | 19.6 | 14.5 | 1.1 | 0.2 | 0 | 0 | 0 | 1.6 |
Lunch | 243.0 | 244.0 | 173.9 | 8.2 | 10.3 | 3.4 | 4.3 | 0 | 19.3 | ||
Cucumber, fresh, without skin, sliced | 200 | Gram | 200.0 | 24.0 | 2.9 | 1.2 | 4.3 | 1.4 | 2.8 | 0 | 0.3 |
Dressing, cucumber ranch, Hidden valley | 15 | Gram | 15.0 | 50.0 | 45.0 | 0 | 1.0 | -- | 0.5 | -- | 5.0 |
Peanuts, cocktail, lightly salted | 28 | Gram | 28.0 | 170.0 | 126.0 | 7.0 | 5.0 | 2.0 | 1.0 | -- | 14.0 |
Standard | LOQ (nmol/L) | Compounds Quantified |
---|---|---|
2,3-Dihydroxybenzoic acid | 20.3 | 2,3-Dihydroxybenzoic acid |
2,5-Dihydroxybenzoic acid | 81.2 | 2,5-Dihydroxybenzoic acid |
4-Methylhippuric acid | 64.8 | 4-Methylhippuric acid, dihydroxybenzoic acid sulfate isomers |
3,4-Dihydroxybenzoic acid | 20.3 | 3,4-Dihydroxybenzoic acid |
3,4-Dihydroxyphenylacetic acid | 74.4 | 3,4-Dihydroxyphenylacetic acid, dihydroxyphenylacetic acid isomers, methoxybenzoic acid glucuronide isomers, methoxybenzoic acid sulfate isomers |
3-Hydroxyphenylpropanoic acid | 602.0 | 3-Hydroxyphenylpropanoic acid, hydroxyphenylpropanoic acid isomers, methoxyphenylpropanoic acid glucuronide isomers, methoxyphenylpropanoic acid sulfate isomers, hydroxyphenylpropanoic acid sulfate isomers |
4-Hydroxybenzaldehyde | 102.5 | 4-Hydroxybenzaldehyde |
4-Hydroxyphenylacetic acid | 10.3 | 4-Hydroxyphenylacetic acid, hydroxyphenylacetic acid isomer, methylphenylacetic acid sulfate isomers, methylphenylacetic acid glucuronide isomers |
Caffeic acid | 69.4 | Caffeic acid isomers, dihydroxyphenylpropanoic acid isomers, hydroxyphenylpropanoic glucuronide isomers, syringic acid |
Catechin | 86.2 | Dihydroxyphenyl-γ-valerolactone sulfate isomers |
Catechol | 14.2 | Catechol, catechol methyl sulfate isomers, catechol sulfate isomers, dicatechol sulfate isomers, catechol glucuronide isomers, pyrogallol sulfate isomers, methylpyrogallol sulfate isomers, methylpyrogallol glucuronide isomers |
Chlorogenic acid | 4.4 | Trihydroxyphenyl-r-valerolactone sulfate isomers, dihydroxyphenyl-γ-valerolactone glucuronide isomers, dihydroxyphenyl-r-valerolactone sulfate isomers, abscisic acid hexoside, abscisic acid sulfate isomers |
Ferulic acid | 8.0 | Ferulic acid isomers, methoxycinnamic acid glucuronide isomers, ferulic acid hexoside isomers, ferulic acid derivative isomers, methoxycinnamic acid sulfate isomers, hydroxymethoxyphenylpropanoic acid isomers |
Gallic acid | 36.8 | Gallic acid, gallic acid derivative isomers, galloylshikimic acid isomers, galloyl glucose isomers, methyl gallate isomers, methylgallic acid sulfate isomers |
Hippuric acid | 34.9 | Hippuric acid, hippuric acid conjugates, methyl hippurate, hippuric acid sulfate isomers, hydroxyhippuric acid isomers |
4-Hydroxybenzoic acid | 90.6 | 4-Hydroxybenzoic acid, hydroxybenzoic acid isomers, hydroxybenzoic acid hexoside, hydroxybenzoic acid sulfate isomers, benzoic acid glucuronide isomers |
Mangiferin | 5.2 | Mangiferin |
m-Coumaric acid | 38.1 | m-Coumaric acid |
o-Coumaric acid | 38.1 | o-Coumaric acid |
p-Coumaric acid | 9.5 | p-Coumaric acid, coumaric acid isomer |
Vanillic acid | 148.8 | Iso/vanillic acid isomers, hydroxymethoxyphenylacetic acid sulfate isomers |
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Compound Number | Retention Time (min) | Observed Ion (m/z) | Calculated (m/z) | Mass Error | Molecular Formula | Tentative Compound Identification | |
---|---|---|---|---|---|---|---|
2 h | 1 | 1.2 | 367.10464 | 367.10287 | 4.8 | C17H20O9 | Feruloylquinic acid |
2 | 4.5 | 183.02976 | 183.02937 | 2.1 | C8H8O5 | Methylgallic acid | |
3 | 4.7 | 167.03452 | 167.03447 | 0.3 | C8H8O4 | Vanillic acid | |
4 | 6.5 | 285.06163 | 285.06107 | 2.0 | C12H14O8 | Catechol glucuronide | |
5 | 9.2 | 299.07736 | 299.07667 | 2.3 | C13H16O8 | Hydroxybenzoic acid glucoside | |
6 | 14.2 | 471.18600 | 471.18667 | −1.4 | C22H32O11 | Abscisic acid glucose ester (formate adduct) | |
7 | 14.4 | 192.06678 | 192.06607 | 3.7 | C10H11NO3 | Methylhippuric acid | |
8 h | 1 | 4.5 | 315.07213 | 315.07157 | 1.8 | C13H16O9 | Methylpyrogallol glucuronide |
2 | 5.3 | 371.09754 | 371.09787 | −0.9 | C16H20O10 | Methoxyphenylpropanoic acid glucuronide | |
3 | 6.0 | 204.98140 | 204.98067 | 3.6 | C6H6O6S | Pyrogallol sulfate | |
4 | 8.9 | 218.99631 | 218.99637 | −0.3 | C7H8O6S | Methylpyrogallol sulfate | |
5 | 9.3 | 299.07739 | 299.07667 | 2.4 | C13H16O8 | Hydroxybenzoic acid glucoside | |
6 | 22.1 | 331.0668 | 331.06657 | 3.7 | C13H16O10 | Galloyl glucose | |
24 h | 1 | 5.3 | 194.04533 | 194.04537 | −0.2 | C9H9NO4 | Hydroxyhippuric acid |
2 | 6.4 | 341.08881 | 341.08727 | 4.5 | C15H18O9 | Hydroxyphenylproanoic acid glucuronide | |
3 | 7.9 | 218.99631 | 218.99637 | −0.3 | C7H8O6S | Methylpyrogallol sulfate | |
4 | 15.9 | 194.04602 | 194.04537 | 3.3 | C9H9NO4 | Hydroxyhippuric acid isomer | |
5 | 20.7 | 597.10752 | 597.10917 | −2.8 | C25H26O17 | Iso/mangiferin glucuronide |
Compound Names (Number) | Pharmacokinetic Parameters | MP (A) | MP + VC (B) | VC (C) | p Value | |||
---|---|---|---|---|---|---|---|---|
Tx | A vs. B | A vs. C | B vs. C | |||||
Gallic acid (C1) | Cmax (nmol/L) | 20.4 ± 3.1 | 21.1 ± 3.9 | 5.3 ± 1.3 | <0.0001 | NS | <0.0001 | <0.0001 |
Tmax (h) | 2.2 ± 0.4 | 2.0 ± 0.3 | N/A | NS | N/A | N/A | ||
AUC0–24h (nmol·h/L) | 64.5 ± 7.8 | 62.8 ± 6.9 | 24.9 ± 1.9 | <0.0001 | NS | <0.0001 | <0.0001 | |
Galloyl glucose (C2) | Cmax (nmol/L) | 13.4 ± 1.9 | 14.0 ± 2.0 | 2.1 ± 0.3 | <0.0001 | NS | <0.0001 | <0.0001 |
Tmax (h) | 2.4 ± 0.3 | 2.2 ± 0.2 | N/A | NS | N/A | N/A | ||
AUC0–24h (nmol·h/L) | 46.1 ± 5.0 | 48.0 ± 5.6 | 12.3 ± 0.7 | <0.0001 | NS | <0.0001 | <0.0001 | |
Methylgallic acid (C3) | Cmax (nmol/L) | 54.5 ± 4.9 | 65.7 ± 8.4 | 4.8 ± 0.7 | <0.0001 | NS | <0.0001 | <0.0001 |
Tmax (h) | 2.2 ± 0.3 | 2.0 ± 0.0 | N/A | NS | N/A | N/A | ||
AUC0–24h (nmol·h/L) | 161.1 ± 13.6 | 178.7 ± 17.5 | 25.9 ± 1.9 | <0.0001 | NS | <0.0001 | <0.0001 | |
Methylgallic acid sulfate (C4) | Cmax (nmol/L) | 824.2 ± 130.8 | 990.8 ± 145.0 | 6.3 ± 1.6 | <0.0001 | NS | <0.0001 | <0.0001 |
Tmax (h) | 2.2 ± 0.2 | 2.0 ± 0.0 | N/A | NS | N/A | N/A | ||
AUC0–24h (nmol·h/L) | 1655.8 ± 274.0 | 1837.1 ± 258.3 | 24.7 ± 3.0 | <0.0001 | NS | <0.0001 | <0.0001 | |
Ferulic acid hexoside (C5) | Cmax (nmol/L) | 2.3 ± 0.4 | 2.4 ± 0.3 | 0.5 ± 0.1 | <0.0001 | NS | <0.0001 | <0.0001 |
Tmax (h) | 1.8 ± 0.2 | 1.8 ± 0.1 | N/A | NS | N/A | N/A | ||
AUC0–24h (nmol·h/L) | 7.7 ± 1.2 | 6.8 ± 0.7 | 2.5 ± 0.1 | <0.0001 | NS | <0.0001 | <0.0001 | |
Methylpyrogallol sulfate isomer (C6) | Cmax (nmol/L) | 230.2 ± 32.3 | 224.9 ± 50.3 | 35.8 ± 9.5 | <0.0001 | NS | <0.0001 | <0.0001 |
Tmax (h) | 8.6 ± 0.5 | 7.7 ± 0.6 | N/A | NS | N/A | N/A | ||
AUC0–24h (nmol·h/L) | 616.9 ± 83.7 | 578.1 ± 103.7 | 129.5 ± 36.0 | <0.0001 | NS | <0.0001 | <0.0001 | |
Methylpyrogallol sulfate isomer (C7) | Cmax (nmol/L) | 243.5 ± 71.8 | 232.8 ± 69.8 | 76.6 ± 24.9 | <0.05 | NS | <0.05 | <0.05 |
Tmax (h) | 9.8 ± 1.8 | 6.3 ± 1.0 | N/A | NS | N/A | N/A | ||
AUC0–24h (nmol·h/L) | 375.4 ± 94.3 | 394.6 ± 89.1 | 216.6 ± 54.5 | <0.05 | NS | <0.05 | <0.05 | |
Pyrogallol sulfate (C8) | Cmax (nmol/L) | 10023.8 ± 1781.1 | 8823.4 ± 1767.4 | 2564.2 ± 893.5 | <0.05 | NS | <0.05 | <0.05 |
Tmax (h) | 7.3 ± 0.6 | 7.3 ± 0.7 | N/A | NS | N/A | N/A | ||
AUC0–24h (nmol·h/L) | 18852.1 ± 3491.6 | 17956.9 ± 3093.6 | 5504.9 ± 1763.4 | <0.05 | NS | <0.05 | <0.05 | |
Methylpyrogallol glucuronide (C9) | Cmax (nmol/L) | 6.7 ± 2.3 | 4.5 ± 0.3 | 4.8 ± 0.3 | F | F | F | F |
Tmax (h) | 7.2 ± 2.4 | 9.7 ± 2.4 | 8.0 ± 2.3 | NS | N/A | N/A | ||
AUC0–24h (nmol·h/L) | 29.1 ± 3.0 | 26.7 ± 1.8 | 26.1 ± 1.7 | NS | NS | NS | NS | |
Catechol glucuronide (C10) | Cmax (nmol/L) | 471.7 ± 270.2 | 185.8 ± 45.8 | 10.6 ± 3.2 | <0.0001 | NS | <0.0001 | <0.0001 |
Tmax (h) | 8.0 ± 0.6 | 8.3 ± 0.4 | N/A | NS | N/A | N/A | ||
AUC0–24h (nmol·h/L) | 1830.9 ± 1391.0 | 483.3 ± 108.0 | 44.8 ± 5.1 | <0.0001 | NS | <0.0001 | <0.0001 |
0 h | 24 h | Day 15 | |
---|---|---|---|
Benzoic acid derivatives | 47 | 49 | 65 |
Phenylacetic acid derivatives | 59 | 51 | 71 |
Phenylpropanoic acid derivatives | 48 | 57 | 76 |
Benzaldehyde derivatives | 217 | 98 | 57 |
Pyrogallol derivatives | 179 | 74 | 81 |
Catechol derivatives | 182 | 64 | 73 |
Hippuric acid derivatives | 61 | 50 | 36 |
Cinnamic acid derivatives | 68 | 38 | 136 |
Valerolactone derivatives | 112 | 117 | 112 |
Others | 85 | 47 | 51 |
Total polyphenols | 172 | 64 | 72 |
Variable | Acute Trial (n = 13) | 14-Day Feeding Trial (n = 12) |
---|---|---|
Age (year) | 30 ± 2 | 31 ± 2 |
Height (cm) | 169.5 ± 2.1 | 169.4 ± 2.2 |
Weight (kg) | 64.9 ± 1.9 | 65.0 ± 2.0 |
BMI (kgm−2) | 22.7 ± 0.4 | 22.7 ± 0.5 |
Heart rate (beats per minute) | 68 ± 2 | 69 ± 2 |
Systolic blood pressure (mmHg) | 115 ± 2 | 115 ± 2 |
Diastolic blood pressure (mmHg) | 73 ± 2 | 74 ± 2 |
Mid-point waist circumference (cm) | 78.8 ± 1.1 | 78.8 ± 1.2 |
Male:Female | 7:6 | 6:6 |
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Fan, J.; Xiao, D.; Zhang, L.; Edirisinghe, I.; Burton-Freeman, B.; Sandhu, A.K. Pharmacokinetic Characterization of (Poly)phenolic Metabolites in Human Plasma and Urine after Acute and Short-Term Daily Consumption of Mango Pulp. Molecules 2020, 25, 5522. https://doi.org/10.3390/molecules25235522
Fan J, Xiao D, Zhang L, Edirisinghe I, Burton-Freeman B, Sandhu AK. Pharmacokinetic Characterization of (Poly)phenolic Metabolites in Human Plasma and Urine after Acute and Short-Term Daily Consumption of Mango Pulp. Molecules. 2020; 25(23):5522. https://doi.org/10.3390/molecules25235522
Chicago/Turabian StyleFan, Jiayi, Di Xiao, Liyun Zhang, Indika Edirisinghe, Britt Burton-Freeman, and Amandeep K. Sandhu. 2020. "Pharmacokinetic Characterization of (Poly)phenolic Metabolites in Human Plasma and Urine after Acute and Short-Term Daily Consumption of Mango Pulp" Molecules 25, no. 23: 5522. https://doi.org/10.3390/molecules25235522