MassBank Record: MPR01874



 Hesperidin; LC-ESI-QQ; MS; pos; NIB-0672 
Mass Spectrum
Chemical Structure


ACCESSION: MPR01874
RECORD_TITLE: Hesperidin; LC-ESI-QQ; MS; pos; NIB-0672
DATE: 2015.10.22 (Created 2015.10.22)
AUTHORS: Research Center for Medicinal Plant Resources, NIBIOHN
LICENSE: CC BY-SA
COPYRIGHT: Copyright (c) Research Center for Medicinal Plant Resources, NIBIOHN
COMMENT: NIB-0672
COMMENT: NIB-0672(+)hesperidinQqQ.jdx
COMMENT: CHINPI

CH$NAME: Hesperidin CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C28H34O15 CH$EXACT_MASS: 610.18977 CH$SMILES: c(O)(c3)c(C(=O)2)c(cc3OC(O4)C(O)C(O)C(O)C(COC(O5)C(O)C(C(C5C)O)O)4)OC(C2)c(c1)ccc(c1O)OC CH$IUPAC: InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 CH$LINK: CAS 520-26-3 CH$LINK: KEGG C09755 CH$LINK: NIKKAJI J4.480F
AC$INSTRUMENT: API3000, AB Sciex AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35V AC$MASS_SPECTROMETRY: COLLISION_GAS N2 AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 500 C AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 100 to 1000 AC$CHROMATOGRAPHY: COLUMN_NAME Phenomenex Kinetex (3.0 x 50 mm x 2.6um) AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C AC$CHROMATOGRAPHY: FLOW_GRADIENT B = 5 to 70 % (30 min) to 100 % (35 min) to 100 % (38 min) AC$CHROMATOGRAPHY: FLOW_RATE 0.2 mL/min AC$CHROMATOGRAPHY: RETENTION_TIME 11.960 AC$CHROMATOGRAPHY: SOLVENT A:0.1 % AcOH/H2O AC$CHROMATOGRAPHY: SOLVENT B:0.1 % AcOH/CH3CN
PK$NUM_PEAK: 100 PK$PEAK: m/z int. rel.int. 100.000 801089.000 222 100.100 693077.000 192 100.200 747083.188 207 100.300 369041.031 102 101.000 216024.016 60 101.800 360040.031 100 101.900 576064.063 159 102.000 639071.063 177 102.100 603067.063 167 102.200 405045.063 112 102.300 324036.031 90 113.700 306034.000 85 113.800 369041.031 102 113.900 504056.063 140 114.000 468052.063 130 114.100 441049.063 122 114.200 504056.063 140 114.300 342038.000 95 114.400 252028.031 70 155.500 225025.016 62 155.600 441049.063 122 155.700 378042.063 105 155.800 513057.063 142 155.900 396044.031 110 156.000 594066.063 164 156.100 279031.031 77 173.900 216024.016 60 185.900 225025.016 62 198.400 243027.016 67 213.900 315035.031 87 214.000 324036.031 90 214.100 252028.031 70 214.200 279031.031 77 214.800 324036.031 90 221.000 216024.016 60 222.600 342038.000 95 222.700 279031.031 77 222.900 504056.063 140 223.000 765085.000 212 223.100 567063.063 157 223.200 774086.063 214 223.300 612068.000 169 225.100 225025.016 62 296.800 522058.031 144 296.900 459051.031 127 297.000 513057.063 142 297.100 603067.063 167 297.200 693077.000 192 297.300 477053.063 132 297.400 459051.031 127 297.500 270030.031 75 302.900 315035.031 87 303.000 288032.031 80 303.100 252028.031 70 303.200 414046.063 115 303.300 243027.016 67 371.000 450050.031 125 371.100 477053.063 132 371.200 369041.031 102 371.300 288032.031 80 448.900 288032.031 80 449.000 684076.000 189 449.100 774086.063 214 449.200 918102.063 254 449.300 855095.063 237 449.400 558062.063 154 449.500 468052.063 130 449.600 288032.031 80 450.000 288032.031 80 465.000 279031.031 77 465.100 342038.000 95 465.200 252028.031 70 465.300 495055.031 137 465.400 261029.016 72 465.500 279031.031 77 610.900 243027.016 67 611.000 1611179.125 446 611.100 3294366.500 912 611.200 3339371.250 924 611.300 3609401.250 999 611.400 3177353.250 879 611.500 2700300.500 747 611.600 1917213.125 531 611.700 522058.031 144 611.800 270030.031 75 611.900 954106.125 264 612.000 1107123.125 306 612.100 1521169.125 421 612.200 1377153.125 381 612.300 1458162.125 404 612.400 1188132.125 329 612.500 855095.063 237 612.600 306034.000 85 612.800 315035.031 87 612.900 351039.031 97 613.100 432048.031 120 613.200 324036.031 90 613.300 351039.031 97 613.400 306034.000 85 613.500 252028.031 70 //