| | No. | Retention (min) | Formula | [M-H]− (m/z) | Error (ppm) | Fragment ions (m/z) | Identify |
| | 1 | 0.94 | C18H32O16HCOOH | 549.16797 | 1.3 | 503.1644, 341.1107, 221.066, 207.0509, 179.0558 | Trisaccharide | | 2 | 0.96 | C12H22O11HCOOH | 387.11475 | 0.9 | 341.1089, 179.0558, 161.0449, 131.0354, 119.0356, 89.0258, 71.0164, 59.0175 | Sucrose | | 3 | 1.4 | C17H26O11HCOOH | 451.14596 | 0.5 | 405.1425, 314.932, 275.2195, 243.0867, 195.0657, 180.0423, 137.023 | Galioside | | 4 | 1.7 | C16H24O10HCOOH | 421.13484 | −0.7 | 375.1285, 357.1186, 352.9389, 195.0654, 179.0551, 162.0321, 145.0297, 119.0359, 101.0236, 89.0248, 71.014, 59.0179 | Tecomosid | | 5 | 2.39 | C16H22O10 | 373.11371 | −0.8 | 252.0673, 236.917, 211.0617, 151.0396, 149.0607, 136.0155, 134.0372, 59.0169 | 3,4-Dihydroxybenzenepropanoate methoxy glucopyranosyloxy | | 6 | 2.83 | C16H28O11HCOOH | 441.16129 | −0.2 | 395.156, 293.0881, 263.1123, 233.0659, 161.0452, 101.0257 | 1-(3-Methylbutanoyl)-6-apiosylglucose | | 7 | 3.56 | C11H16O8 | 275.07718 | −0.2 | 231.0869, 187.0626, 159.0646, 113.0597, 97.0681, 95.05, 83.0498, 58.0105 | 1,3-Bis (3-carboxypropyl) propanedioate | | 8 | 3.57 | C10H16O6 | 231.08728 | −0.6 | 159.0673, 146.9645, 113.0607, 95.0511, 75.0104, 58.0072 | Acetoxy-methylmalonate diethyl | | 9 | 3.76 | C14H18O9 | 329.08751 | −0.9 | 167.0346, 152.0113, 123.0452, 108.0221 | Vanillic acid glucoside | | 10 | 4.01 | C7H6O4 | 153.01999 | 4.3 | 109.0296, 108.0246, 91.0208, 65.0084 | 3,4-Dihydroxybenzoic acid | | 11 | 4.66 | C15H20O10 | 359.09803 | −0.9 | 312.9175, 197.0446, 182.0208, 166.9982, 153.0545, 138.0322, 123.008, 95.0126 | 4-Glucopyranosyloxy-3,5-dimethoxybenzoic acid | | 12 | 4.81 | C16H18O9 | 353.08769 | −0.3 | 191.0559, 179.0348, 161.0237, 135.0451 | Chlorogenic acid | | 13 | 5.2 | C17H24O11 | 403.12416 | −1.1 | 267.0449, 223.0608, 208.037, 193.0134, 165.0558, 153.0558, 138.0305, 137.0235, 119.0345, 113.0262, 95.0136, 85.0347 | Methyloleoside | | 14 | 5.57 | C7H6O3 | 137.0251 | 5 | 119.0167, 108.0222, 92.0271, 81.0368, 65.0131, 53.049 | 3,4-Dihydroxybenzaldehyde | | 15 | 5.59 | C11H14O6 | 241.07169 | −0.3 | 226.0479, 211.0605, 193.0501, 178.0268, 163.0032, 153.0184, 135.0087, 123.0089, 107.0132, 95.0150, 69.0379 | 1-Benzyl-3-phenoxypiperidine | | 16 | 5.86 | C16H18O10 | 369.08245 | −0.7 | 207.0514, 179.0345, 135.0449, 129.0201, 109.03, 101.025, 99.0112, 85.0321 | 5-[3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,2,3,4-tetrahydroxy-cyclohexanecarboxylic acid | | 17 | 5.98 | C23H34O14HCOOH | 579.19308 | 0 | 533.1893, 519.1802, 371.135, 341.1084, 323.098, 209.082, 179.00559, 161.0468, 119.0344, 89.0255 | Syringinoside | | 18 | 6.08 | C17H22O10 | 385.11397 | −0.1 | 353.08872, 316.9467, 248.9595, 191.0559, 180.8741, 161.0215, 112.9858, 59.0173 | Sinapoyl glucoside | | 19 | 6.11 | C14H18O8 | 313.09274 | −0.5 | 244.927, 179.0347, 161.0241, 151.0602, 135.0448, 119.0329, 89.0242, 73.0351, 59.0176 | Unknown | | 20 | 6.13 | C17H26O10 | 389.14491 | −1.1 | 227.0914, 209.0806, 179.0343, 152.048, 137.0233, 101.0259, 71.0152 | Secologanol | | 21 | 6.19 | C21H32O10 | 443.19214 | −0.3 | 375.0721, 283.0836, 237.1483, 184.26, 149.0443, 119.0348, 89.0262, 59.0151 | Penstemide | | 22 | 6.47 | C19H26O12 | 445.13487 | −0.6 | 376.9048, 2833.1021, 179.0347, 161.0241, 135.0448 | 2,3,4-Trihydroxybutyl, 6-[3-(3,4-dihydroxyphenyl)-2-propenoate] glucopyranoside | | 23 | 6.54 | C15H18O9 | 341.08762 | −0.5 | 323.0781, 281.0665, 251.0559, 221.0451, 179.0345, 161.0242, 135.0453 | 3-Glucoside caffeic acid | | 24 | 6.71 | C16H18O9 | 353.08773 | −0.2 | 191.0559, 179.035, 161.0243, 127.0404, 85.0314 | Neochlorogenic acid | | 25 | 6.89 | C17H24O9HCOOH | 417.14021 | −0.1 | 371.1351, 209.0818, 207.0507, 194.0577, 176.048 | Syringin | | 26 | 6.89 | C11H14O4 | 209.08205 | 0.6 | 194.0573, 191.0708, 179.0343, 176.0472, 161.0236, 151.0395, 133.0302, 121.0296, 105.0345, 77.0408 | 3,5-Dimethoxyhydrocinnamic acid | | 27 | 7.18 | C16H18O9 | 353.08764 | −0.5 | 191.0558, 179.0349, 173.0349, 135.0453, 111.0453, 93.0354 | Cryptochlorogenic acid | | 28 | 7.54 | C9H8O4 | 179.03483 | −0.8 | 135.0447, 117.0338, 107.0491, 89.0396, 65.0087 | Caffeic acid | | 29 | 7.78 | C19H30O10HCOOH | 463.18187 | −0.5 | 417.1777, 181.0874, 166.0632, 161.0478, 119.0334 | 3-Hydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy] propyl glucopyranoside | | 30 | 7.93 | C15H20O8 | 327.10863 | 0.3 | 190.9281, 147.0453, 103.0552, 89.0281 | 4-(3-Hydroxypropyl)phenyl glucopyranosiduronic acid | | 31 | 8.12 | C18H26O10HCOOH | 447.15065 | −0.3 | 401.1457, 310.9294, 293.0864, 269.1029, 174.9566, 161.0466, 129.0171, 101.0251, 71.0153 | Icariside F2 | | 32 | 8.14 | C20H28O11 | 443.15578 | −0.2 | 425.1457, 375.0666, 245.0768, 179.0337, 137.0231 | 4-{[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy}-2-hydroxy-3-methylbutyl glucopyranoside | | 33 | 8.2 | C21H28O13 | 487.14601 | 0.6 | 418.9183, 350.9283, 307.0846, 282.9368, 179.0336, 161.0239, 135.0454 | 3-O-(6-Deoxy-mannopyranosyl)-4-O-[3-(3,4-dihydroxyphenyl)-2-propenoyl]-glucose | | 34 | 8.28 | C20H28O12 | 459.15077 | −0.1 | 297.1175, 179.0345, 161.0241, 135.0449 | 2,3-Dihydroxy-3-methyl-butyl-caffeoyl glucopyranoside | | 35 | 8.46 | C21H32O11HCOOH | 567.20885 | 0.9 | 359.1468, 341.1379, 329.1399, 314.112, 269.0806 | Patrinioside H | | 36 | 8.56 | C28H38O14HCOOH | 643.22555 | 1.8 | 597.2214, 567.211, 435.1661, 405.1555, 375.1444, 357.1339, 342.1088, 297.0374, 223.0962, 181.0498, 166.0262 | Ligraminol B | | 37 | 8.92 | C16H18O8 | 337.09256 | −1 | 191.0552, 163.0388, 119.0509, 111.05, 93.0351, 69.0399 | 1,3,5-Trihydroxy-4-[[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]cyclohexanecarboxylic acid | | 38 | 9.19 | C17H22O9HCOOH | 415.12445 | −0.3 | 369.1184, 207.066, 192.0424, 177.019, 149.0241, 121.0303 | Sinapaldehyde glucoside | | 39 | 9.19 | C11H12O4 | 207.06609 | −0.9 | 192.0426, 177.0192, 149.0239, 134.0367, 121.0295, 105.0367, 93.0349, 77.0413 | Sinapaldehyde | | 40 | 9.33 | C20H32O11HCOOH | 493.19268 | 0 | 447.1872, 235.0849, 211.0967, 196.0755, 161.0452 | 3-Hydroxy-2-[4-(3-hydroxypropyl)-2, 6-dimethoxyphenoxy]propyl glucopyranoside | | 41 | 10.27 | C17H20O9 | 367.1032 | −0.7 | 193.0499, 191.0557, 173.0453, 155.0352, 134.0379, 111.0454, 93.0357 | 4-O-E-Caffeoylquinic acid methyl ester | | 42 | 10.44 | C9H10O3 | 165.05597 | 1.5 | 147.0448, 119.0489, 103.0572, 78.9605, 73.0048 | p-Coumaric acid | | 43 | 10.93 | C26H32O14 | 567.17245 | 0.9 | 549.1645, 341.0875, 281.0656, 251.0557, 221.0447, 193.0499, 179.034, 161.0243, 133.0299 | Caudatoside F | | 44 | 11.1 | C24H40O12HCOOH | 565.25064 | 0.8 | 519.2452, 429.0967, 387.2019, 293.0855, 225.1479, 191.0534, 149.0434, 101.0236 | 4-[3-[(6-O-Arabinofuranosyl-glucopyranosyl)oxy]butyl]-4-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one | | 45 | 11.15 | C18H24O10 | 399.12934 | −0.8 | 237.0699, 179.356, 161.0248, 135.0451 | 1-Hydroxy-2-propanyl 6-O-[3-(3,4-dihydroxyphenyl)-2-propenoyl]-glucopyranoside | | 46 | 11.59 | C19H26O11 | 429.14004 | −0.5 | 293.0827, 233.0666, 157.0091, 135.0453, 89.0263 | Neohancoside C | | 47 | 12.07 | C25H34O14 | 557.18812 | 1 | 179.0353, 161.0245, 135.0457 | Urceolatoside A | | 48 | 12.2 | C27H32O14 | 579.17249 | 1 | 455.1203, 395.1017, 353.0885, 311.0802, 221.0448, 179.0346, 161.0238, 135.0454, 89.0232 | Unknown | | 49 | 12.92 | C34H46O18HCOOH | 787.26972 | 3.9 | 787.2735, 741.2677, 579.2113, 417.1557, 402.1335, 181.0497 | Eleutheroside | | 50 | 12.92 | C27H32O16 | 611.16231 | 0.9 | 455.1192, 449.1369, 353.0851, 179.0346, 161.025, 155.0341, 135.044 | Unknown | | 51 | 13.24 | C25H28O13 | 535.14588 | 0.3 | 517.1362, 475.1292, 373.1098, 323.0774, 313.5499, 221.058, 161.0243, 149.0595, 132.0192 | Ibotalactone A | | 52 | 13.47 | C30H34O17 | 665.17369 | 2 | 665.177, 503.1346, 341.0861, 335.0771, 329.0882, 173.0455, 167.0341, 155.0341, 152.0114 | Scrocaffeside A | | 53 | 13.69 | C27H30O16 | 609.14639 | 0.5 | 447.1175, 161.0245, 152.0103 | Quercetin-3-O-neohesperidin | | | 14.28 | C26H30O15 | 581.15139 | 0.3 | 455.1204, 419.1439, 353.0851, 308.917, 179.0357, 161.0218, 135.0437 | Unknown | | 55 | 14.65 | C26H34O11HCOOH | 567.20885 | 0.9 | 359.1468, 341.1379, 329.1399, 314.112, 311.0917, 269.0806, 165.0581 | Urolignoside | | 56 | 16.92 | C25H24O13 | 531.11475 | 0.6 | 369.0826, 351.0785, 207.0505, 189.0398, 179.0348, 135.0456, 109.0308 | 1-Carboxy-6-deoxy-3,5-bis[3-(3,4-dihydroxyphenyl)-2-propenoate]-D-allo-inositol | | 57 | 17.65 | C34H46O17HCOOH | 771.27409 | 3.1 | 725.273, 640.2023, 563.2159, 545.2014, 401.1608, 383.152, 371.1494, 353.1013, 217.0865 | 4-[4-(4-Hydroxy-3,5-dimethoxyphenyl)tetrahydro-1H,3H-furo [3,4-c]furan-1-yl]-2,6-dimethoxyphenyl 2-O-(6-deoxy-mannopyranosyl)-glucopyranoside | | 58 | 17.88 | C27H38O12HCOOH | 599.23511 | 1 | 553.1007, 425.148, 391.1776, 181.0854 | Ssioriside | | 59 | 18.44 | C25H24O12 | 515.1197 | 0.4 | 353.0885, 335.0776, 191.056, 179.035, 173.0456, 161.0239, 135.0452 | 1,4-Dicaffeoylquinic acid | | 60 | 18.72 | C20H26O10 | 425.14504 | −0.7 | 381.1513, 245.0808, 179.0341, 134.0372, 59.0159 | Rotundarpenoside B | | 61 | 19.67 | C25H24O12 | 515.11983 | 0.6 | 353.0885, 191.0565, 179.0351, 135.0453 | 3,4-Dicaffeoylquinic acid | | 62 | 20.11 | C28H34O15 | 609.18313 | 1 | 541.1298, 455.1178, 395.0961, 353.0861, 293.0879, 221.0458, 179.0344, 161.0236, 135.0449, 89.0257 | Unknown | | 63 | 21.4 | C28H36O13HCOOH | 625.21478 | 1.6 | 579.2117, 417.1561, 402.1337, 181.0504, 166.0271 | Eleutheroside E | | 64 | 22.18 | C27H34O13HCOOH | 611.19857 | 0.7 | 565.1965, 499.0526, 403.136, 385.1289, 355.1209, 325.107, 218.0548, 179.0552, 143.0334, 89.0251, 59.0156 | Arbortristoside E | | 65 | 22.58 | C24H34O13 | 529.19242 | −0.5 | 367.1591, 235.1182, 179.0344, 161.0233, 135.0456, 101.0255 | 6-O-(4-{[3-(3,4-Dihydroxyphenyl)-2-propenoyloxy]methyl}-3,4-dihydroxytetrahydro-2-furanyl)-glucopyranoside-2-butanyl | | 66 | 23.06 | C28H40O13HCOOH | 629.24605 | 1.5 | 583.2422, 421.1869, 360.9641, 211.0975, 196.0758 | 4-Hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butyl glucopyranoside | | 67 | 23.53 | C29H36O16 | 639.1943 | 1.9 | 455.1204, 353.0879, 179.0354, 161.0245, 135.455 | Kelampayoside B | | 68 | 23.54 | C25H24O12 | 515.11993 | 0.8 | 353.0873, 335.0766, 299.0556, 203.0345, 191.0562, 179.0348, 173.0455, 137.0244, 135.0456 | 3,5-Dicaffeoylquinic acid | | 69 | 25.26 | C27H32O13 | 563.17752 | 0.9 | 401.1426, 269.1004, 179.0344, 161.0239, 134.037 | Dracunculifoside H | | 70 | 25.61 | C29H36O15 | 623.1987 | 0.9 | 591.17744, 554.8923, 486.9106, 455.1222, 429.1444, 353.087, 251.0525, 214.9555, 179.034, 161.0242, 146.967, 135.0445 | Isoacteoside | | 71 | 25.84 | C25H24O11 | 499.12475 | 0.3 | 337.0933, 276.9563, 173.045, 163.041, 137.0231, 199.0499 | 3,5-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1-hydroxy-cyclohexanecarboxylic acid | | 72 | 27.53 | C42H66O16 | 825.43101 | 3.9 | 663.3778, 601.3766, 487.3455, 439.3225, 175.0265, 113.0236 | Phytolaccasaponin E | | 73 | 27.55 | C42H66O16 | 825.43103 | 3.9 | 663.3778, 601.3766, 487.3455, 439.3225, 175.0265, 113.0236 | Esculentoside A | | 74 | 27.74 | C42H68O15HCOOH | 857.45704 | 3.5 | 811.4577, 649.3995, 631.3933, 469.3343, 207.0516 | 3-[(4-O-Glucopyranosyl-glucopyranosyl)oxy]-2,23-dihydroxy-olean-12-en-28-oic acid | | 75 | 28.07 | C34H30O15 | 677.15267 | 2.2 | 515.1213, 497.1112, 353.0882, 335.0773, 191.0559, 179.0344, 173.0453, 135.0454 | 1,4,5-Tricaffeoylquinic acid | | 76 | 28.09 | C29H32O13 | 587.17766 | 1.1 | 425.146, 179.0342, 161.0242, 135.045 | 3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4-dihydroxy-5-[[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-ethyl ester-cyclohexanecarboxylic acid | | 77 | 28.59 | C48H76O20 | 971.48919 | 3.6 | 809.4333, 747.4459, 629.3703, 539.3734, 157.0191 | Udosaponin F | | 78 | 28.75 | C22H28O12 | 483.15095 | 0.3 | 465.144, 451.1253, 363.1091, 277.1101, 263.0932, 193.0507, 179.0348, 135.0454 | [3,4,5-Trihydroxy-6-[2-(3-hydroxy-5-oxooxolan-3-yl)propoxy]oxan-2-yl]methyl -3-(3,4-dihydroxyphenyl)prop-2-enoate | | 79 | 29.1 | C41H66O14HCOOH | 827.44655 | 3.7 | 781.4463, 619.39, 601.38, 487.3397, 351.0717, 207.0515, 131.0369 | Ilexsaponin C | | 80 | 29.19 | C34H30O14 | 661.15675 | 0.7 | 515.1234, 353.093, 337.091, 173.0434, 163.00397 | Unknown | | 81 | 29.2 | C31H38O14 | 633.21935 | 0.7 | 615.2069, 424.1381, 369.0985, 263.0937, 209.0824, 194.0583, 179.0357, 135.0495, 133.0294 | 3-(4-Hydroxyphenyl)-2-propen-1-yl 3-O-(6-deoxy-mannopyranosyl)-4-[3-(4-hydroxy-3-methoxyphenyl)-2-propenoate] glucopyranoside | | 82 | 29.22 | C47H76O17 | 911.50308 | 2.3 | 765.4522, 747.4475, 603.3939, 350.9276 | Ilexsaponin B2 | | 83 | 29.23 | C37H46O17 | 761.26787 | 2.2 | 625.2533, 599.2171, 581.2103, 445.1529, 387.1617, 372.121, 179.0341, 112.9854 | 1,2,3,4-Tetrahydro-7-hydroxy-3-[[(4-hydroxy-3,5-dimethoxybenzoyl) oxy]methyl]-1-(4-hydroxy-3,5-dimethoxyphenyl)-6,8-dimethoxy-2-naphthalenyl]methyl glucopyranoside | | 84 | 29.48 | C42H66O15 | 809.43556 | 3.3 | 689.3939, 647.3839, 629.3739, 585.3826, 567.3683, 471.347, 175.025, 75.0119 | Bonushenricoside B | | 85 | 29.69 | C25H24O10 | 483.12996 | 0.6 | 321.0966, 173.0441, 137.0252, 93.0356 | Unknown | | 86 | 29.78 | C47H76O18HCOOH | 973.5054 | 4.1 | 927.5054, 807.4619, 765.4496, 603.3942 | Ilexoside K | | 87 | 30.23 | C36H56O11HCOOH | 709.38193 | 2.1 | 663.3782, 543.3328, 501.3219, 439.3187, 335.0754 | Ilexsaponin A | | 88 | 30.39 | C36H58O10HCOOH | 695.40214 | 1.4 | 649.3992, 487.344, 469.3342, 207.0514 | Pedunculoside | | 89 | 30.39 | C30H48O5 | 487.34295 | 0.1 | 469.3331, 437.3069, 405.3170, 339.269, 277.2169, 71.0543 | Rotundic acid | | 90 | 30.65 | C41H66O13HCOOH | 811.45133 | 3.4 | 765.44779, 603.3928, 585.3801, 541.3902, 207.0502 | Kudinoside H | | 91 | 31.43 | C42H66O14 | 793.4411 | 3.9 | 673.4008, 631.3876, 613.3787, 587.3979, 569.3857, 455.3534, 175.0245, 75.0111 | Chikusetsusaponin iva | | 92 | 31.86 | C35H56O9HCOOH | 665.39197 | 2 | 619.3877, 601.379, 559.361, 469.3325, 180.974, 131.0349, 59.0168 | Brevicuspisaponin 1 | | 93 | 31.92 | C49H78O19HCOOH | 1015.51602 | 4 | 969.5142, 807.4599, 789.4666, 609.3853, 537.3612, 455.3511, 179.0584 | Chikusetsusaponin V methyl ester | | 94 | 32.59 | C36H58O9HCOOH | 679.40807 | 2.6 | 633.4034, 471.3487, 453.3376, 409.3476, 207.0508, 119.0393 | 28-Glucoside hederagenin | | 95 | 32.67 | C16H22O5 | 293.13919 | −0.9 | 261.1131, 246.0893, 218.0946, 195.0661, 177.0194, 161.0243, 159.045, 117.0351 | 3-Carboxy-4-methoxy-(1-methylethyl)-1-ethyl ester benzenepropanoic acid | | 96 | 33.02 | C30H46O6 | 501.32243 | 0.5 | 483.3175, 455.3162, 439.3231 | Ilexgenin A | | 97 | 33.77 | C35H56O8 | 603.39096 | 1.2 | 585.3822, 541.3914, 453.3359, 399.9042, 331.9169, 263.9334, 131.0341 | 2,3-Dihydroxy-arabinopyranosyl ester-12-en-28-oic acid | | 98 | 34.77 | C36H56O9 | 631.38618 | 1.6 | 613.3777, 555.3741, 509.3671, 455.3555, 157.0133, 113.0249, 111.0087 | 3,23-Dihydroxy-glucopyranosyl ester-ursa-12-18-dien-28-oic acid | | 99 | 36.68 | C39H54O6 | 617.38526 | 0.8 | 615.4365, 453.3386, 163.0393, 119.0492 | Jacoumaric acid | | 100 | 37.18 | C22H30O3 | 341.21186 | −1 | 323.2004, 179.1074, 177.0914, 149.0978, 134.0732 | 4,4’-[Oxybis(methylene)]bis-2,3,5,6-tetramethyl-phenol | | 101 | 38.27 | C21H28O2 | 311.20185 | 0.6 | 149.0973, 133.0655 | 2,6-Diethyl-Phenol-4,4’-methylenebis | | 102 | 38.63 | C23H30O3 | 353.21197 | −0.7 | 190.1004, 177.0915, 163.1123 | 2,8-Bis(phenylmethoxy)-5-Octen-3-ol-7-methyl | | 103 | 40.028 | C30H48O3 | 455.35304 | −0.1 | 409.2484 | Ursolic acid | | 104 | 40.33 | C30H48O3 | 455.3527 | −0.8 | 455.3535 | Oleanolic acid | | 105 | 40.65 | C23H32O2 | 339.23276 | −0.6 | 163.1127, 147.0807, 107.0504 | 2-tert-Butyl-6-(2-hydroxy-3-tert-butyl-5-methyl-benzyl)-4-methyl-phenol |
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