ACCESSION: MSBNK-RIKEN_NPDepo-CB000271
RECORD_TITLE: Piceid; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant, Glucosides, Stilbenes

CH$NAME: Piceid
CH$COMPOUND_CLASS: Carbohydrates
CH$FORMULA: C₂₀H₂₂O₈
CH$EXACT_MASS: 390.3935
CH$SMILES: OCC1OC(Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)C(O)C(O)C1O
CH$IUPAC: InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+
CH$LINK: CAS 27208-80-6
CH$LINK: CHEMSPIDER 4445034
CH$LINK: INCHIKEY HSTZMXCBWJGKHG-OWOJBTEDSA-N
CH$LINK: PUBCHEM CID:5470020

AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-004i-0292000100-b15bc6f90f4d43365554
PK$NUM_PEAK: 108
PK$PEAK: m/z int. rel.int.
  100.3000 113137.1172 51
  100.4000 165753.8281 75
  100.5000 286568.7813 131
  100.6000 364251.8125 167
  100.7000 360186.9063 165
  100.8000 340992.0313 156
  100.9000 203691.9688 93
  101.0000 110201.4688 49
  101.2000 49906.7266 22
  114.0000 56681.4688 25
  120.4000 47648.5586 21
  134.5000 83102.7031 37
  134.6000 85135.1172 38
  134.7000 160108.1875 73
  134.8000 187884.3750 85
  134.9000 100716.8516 45
  135.0000 118105.2109 53
  135.1000 137751.7656 62
  135.2000 133461.1563 60
  135.4000 58036.4063 25
  141.4000 151526.9219 69
  141.5000 587816.1250 270
  141.6000 671370.5625 309
  141.7000 549878.0000 253
  141.8000 424998.0313 195
  141.9000 470388.4375 216
  142.0000 368768.2813 169
  142.1000 336023.9375 154
  142.2000 235081.3125 107
  142.3000 179303.1563 81
  142.4000 61423.7539 27
  142.5000 101845.9609 46
  228.2000 57810.5859 25
  228.3000 293795.1875 134
  228.4000 779087.9375 359
  228.5000 1465814.3750 677
  228.6000 1600404.5000 739
  228.7000 1899845.2500 878
  228.8000 2161348.0000 999
  228.9000 2134023.5000 986
  229.0000 2097665.7500 969
  229.1000 1873875.5000 865
  229.2000 2026080.3750 936
  229.3000 1714896.7500 792
  229.4000 1453394.2500 671
  229.5000 591203.4375 272
  229.6000 470614.1563 216
  229.7000 347089.3125 159
  229.8000 358832.0938 165
  229.9000 326991.0625 150
  230.0000 291762.7813 133
  230.1000 285439.7500 131
  230.2000 347540.9688 159
  230.3000 297408.3125 136
  230.4000 272342.0313 125
  230.5000 100265.2188 45
  230.8000 53294.1289 23
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  238.7000 148365.4219 67
  243.1000 109523.9531 49
  390.3000 67746.7813 30
  390.4000 355218.9375 163
  390.5000 486647.6563 224
  390.6000 711115.3750 328
  390.7000 725568.0000 334
  390.8000 639077.8125 294
  390.9000 672273.7500 310
  391.0000 662563.4375 305
  391.1000 785185.1250 362
  391.2000 523230.9063 241
  391.3000 537457.7500 247
  391.4000 263534.9063 120
  391.5000 197143.1094 90
  391.6000 175689.9531 80
  391.7000 146558.8750 66
  391.8000 155140.0938 70
  391.9000 97781.1719 44
  392.0000 96877.8828 43
  392.1000 108620.6641 49
  392.2000 196691.4531 90
  392.3000 69779.1719 31
  392.4000 86038.4063 38
  407.8000 58713.8711 26
  408.0000 51035.8984 22
  408.2000 62552.8438 27
  408.3000 79941.1953 35
  431.7000 55552.3555 24
  780.4000 111556.3516 50
  780.5000 222661.0625 102
  780.6000 144978.0781 66
  780.7000 298989.0938 137
  780.8000 264438.2500 121
  780.9000 158753.2813 72
  781.0000 320216.4063 147
  781.1000 256986.0781 117
  781.2000 292666.0938 134
  781.3000 146784.6719 66
  781.4000 89651.5625 40
  781.5000 151978.5781 69
  781.6000 125331.5391 56
  781.7000 90780.6797 41
  781.8000 90554.8438 40
  781.9000 195336.5156 89
  782.0000 160334.0313 73
  782.1000 152430.2188 69
  782.2000 124879.8906 56
  782.7000 55552.3555 24
  783.0000 48551.8555 21
//