ACCESSION: MSBNK-RIKEN_NPDepo-CB000314
RECORD_TITLE: Amorphigenin; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant, Pyrans

CH$NAME: Amorphigenin
CH$COMPOUND_CLASS: Flavonoids
CH$FORMULA: C₂₃H₂₂O₇
CH$EXACT_MASS: 410.4276
CH$SMILES: C=C(CO)C1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2C3=O)O1
CH$IUPAC: InChI=1S/C23H22O7/c1-11(9-24)16-7-14-15(29-16)5-4-12-22(25)21-13-6-18(26-2)19(27-3)8-17(13)28-10-20(21)30-23(12)14/h4-6,8,16,20-21,24H,1,7,9-10H2,2-3H3
CH$LINK: CAS 4208-09-7
CH$LINK: CHEMSPIDER 3546693 83246
CH$LINK: INCHIKEY ZJMLELXRQUXRIU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:4342730

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$SPLASH: splash10-03di-0100900010-c89bbffbfc56725bac46
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  141.4000 332134.8125 29
  141.5000 982921.9375 89
  141.6000 1158971.6250 105
  141.7000 1232347.0000 112
  141.8000 1109449.5000 101
  141.9000 757350.3125 68
  142.0000 734533.8750 66
  142.1000 685530.4375 62
  142.2000 580522.8750 52
  142.3000 450106.2188 40
  142.4000 290391.1250 25
  178.6000 250980.8594 22
  178.8000 251499.4063 22
  178.9000 279760.6875 24
  191.9000 267833.9063 23
  192.0000 253573.6250 22
  192.1000 261611.2656 23
  228.6000 304910.6250 27
  228.7000 247351.0000 21
  410.2000 291428.2188 25
  410.3000 1469327.0000 134
  410.4000 3507509.0000 322
  410.5000 5488652.0000 505
  410.6000 5474131.0000 504
  410.7000 6021207.0000 554
  410.8000 6393530.5000 589
  410.9000 6048432.5000 557
  411.0000 6479869.5000 597
  411.1000 10835736.0000 999
  411.2000 7641434.5000 704
  411.3000 3936613.7500 362
  411.4000 2380688.5000 218
  411.5000 1746235.8750 160
  411.6000 1483069.0000 135
  411.7000 1409434.0000 129
  411.8000 1446769.7500 132
  411.9000 1442362.0000 132
  412.0000 1540109.7500 141
  412.1000 1768792.8750 162
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  412.3000 1363023.2500 124
  412.4000 910064.8750 82
  412.5000 578189.4375 52
  412.6000 527889.5000 47
  412.7000 497294.7813 44
  412.8000 517777.7188 46
  412.9000 392546.5313 35
  413.0000 399806.3125 35
  413.1000 497554.0625 44
  413.2000 476293.2188 42
  413.3000 442846.4063 39
  413.4000 255129.2969 22
  820.4000 552261.7500 49
  820.5000 797279.1875 72
  820.6000 1035296.0625 94
  820.7000 1090781.5000 99
  820.8000 1126562.0000 102
  820.9000 1054741.8750 96
  821.0000 1028295.5625 93
  821.1000 1175046.8750 107
  821.2000 846023.2500 77
  821.3000 650009.3125 58
  821.4000 405510.4063 36
  821.5000 412251.6563 37
  821.6000 552780.2500 50
  821.7000 559002.8125 50
  821.8000 615266.1250 55
  821.9000 432734.6250 38
  822.0000 545520.3750 49
  822.1000 433512.4375 39
  822.2000 327986.3438 29
  822.3000 293502.4688 26
//