MassBank Record: MSBNK-RIKEN_NPDepo-CB000314
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
412.2000 1514960.0000 138
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
//
system version 2.2.8-SNAPSHOT