MassBank Record: MPR01928



 Hesperidin; LC-ESI-QQ; MS2; pos; NIB-0672 
Mass Spectrum
Chemical Structure


ACCESSION: MPR01928
RECORD_TITLE: Hesperidin; LC-ESI-QQ; MS2; 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(+)hesperidinQqQMS2.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 MS2 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: SOLVENT A:0.1 % AcOH/H2O AC$CHROMATOGRAPHY: SOLVENT B:0.1 % AcOH/CH3CN
MS$FOCUSED_ION: PRECURSOR_M/Z 611 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$NUM_PEAK: 100 PK$PEAK: m/z int. rel.int. 69.200 14251.500 18 70.600 52255.504 66 70.700 76008.000 96 70.800 161517.000 205 70.900 166267.500 211 71.000 185269.500 235 71.100 175768.516 223 71.200 190020.000 241 71.300 137764.516 175 71.400 99760.500 126 71.500 28503.000 36 74.900 14251.500 18 84.400 47505.000 60 84.500 52255.504 66 84.600 161517.000 205 84.700 147265.500 187 84.800 289780.500 367 84.900 346786.500 439 85.000 308782.500 391 85.100 294531.000 373 85.200 270778.531 343 85.300 223273.500 283 85.400 38004.000 48 103.000 14251.500 18 128.600 14251.500 18 128.700 19002.000 24 128.800 28503.000 36 128.900 85509.000 108 129.000 85509.000 108 129.100 85509.000 108 129.200 95010.000 120 129.300 28503.000 36 129.500 14251.500 18 146.700 14251.500 18 146.900 14251.500 18 147.000 23752.500 30 147.100 33253.504 42 147.200 28503.000 36 147.300 19002.000 24 150.700 19002.000 24 151.000 23752.500 30 151.200 19002.000 24 152.600 33253.504 42 152.700 66507.008 84 152.800 109261.500 138 152.900 109261.500 138 153.000 71257.500 90 153.100 114012.000 144 153.200 114012.000 144 153.300 61756.504 78 176.900 38004.000 48 177.000 38004.000 48 177.200 76008.000 96 177.300 28503.000 36 178.700 19002.000 24 179.000 28503.000 36 179.100 38004.000 48 179.200 23752.500 30 194.600 23752.500 30 194.700 42754.500 54 194.800 52255.504 66 194.900 133014.016 169 195.000 71257.500 90 195.100 61756.504 78 195.200 47505.000 60 218.600 23752.500 30 218.800 38004.000 48 218.900 38004.000 48 219.000 23752.500 30 219.100 38004.000 48 219.200 19002.000 24 219.300 23752.500 30 245.000 57006.000 72 245.200 33253.504 42 262.700 28503.000 36 262.800 42754.500 54 262.900 47505.000 60 263.000 71257.500 90 263.100 57006.000 72 263.200 47505.000 60 280.900 23752.500 30 281.200 28503.000 36 285.000 19002.000 24 302.600 61756.504 78 302.700 209022.016 265 302.800 299281.500 379 302.900 451297.531 572 303.000 365788.469 463 303.100 693573.000 879 303.200 760080.000 963 303.300 788583.063 999 303.400 546307.563 692 303.500 109261.500 138 303.600 47505.000 60 314.900 23752.500 30 345.200 23752.500 30 368.800 33253.504 42 369.000 19002.000 24 369.200 23752.500 30 369.300 19002.000 24 //