MassBank Record: TY000121



 Amentoflavone; LC-ESI-ITTOF; MS; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TY000121
RECORD_TITLE: Amentoflavone; LC-ESI-ITTOF; MS; [M+H]+
DATE: 2016.01.19 (Created 2010.07.12, modified 2011.05.06)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Amentoflavone CH$NAME: 8-[5-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CH$NAME: 4',4''',5,5'',7,7''-Hexahydroxy-3''',8-biflavone CH$NAME: Didemethyl-ginkgetin CH$NAME: Amenthoflavone CH$NAME: I3',II8-Biapigenin CH$NAME: Tridemethylsciadopitysin CH$COMPOUND_CLASS: Natural Product; Flavonoid CH$FORMULA: C30H18O10 CH$EXACT_MASS: 538.09000 CH$SMILES: O=C(C=2)c(c(O)1)c(OC2c(c3)cc(c(c54)c(O)cc(O)c4C(=O)C=C(c(c6)ccc(c6)O)O5)c(O)c3)cc(O)c1 CH$IUPAC: InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H CH$LINK: CAS 1617-53-4
AC$INSTRUMENT: LCMS-IT-TOF AC$INSTRUMENT_TYPE: LC-ESI-ITTOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE +4.50 kV AC$MASS_SPECTROMETRY: SCANNING 0.1 sec/scan (m/z = 200-2000) AC$CHROMATOGRAPHY: COLUMN_NAME Waters Atlantis T3 (2.1 x 150 mm, 5 um) AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C AC$CHROMATOGRAPHY: FLOW_GRADIENT 10 % B to 100 % B/40 min AC$CHROMATOGRAPHY: FLOW_RATE 0.2 ml/min AC$CHROMATOGRAPHY: RETENTION_TIME 16.118333 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 539.088200
PK$SPLASH: splash10-000i-2000090000-9a92ae77771df76356f9 PK$NUM_PEAK: 169 PK$PEAK: m/z int. rel.int. 213.086600 6198.000000 10 218.166400 3236.000000 5 218.478800 3236.000000 5 230.033400 3236.000000 5 231.932000 3236.000000 5 237.126900 5924.000000 10 243.472600 3236.000000 5 249.188600 5924.000000 10 251.149300 6198.000000 10 252.140200 3236.000000 5 252.338600 3236.000000 5 258.157200 3236.000000 5 260.137300 3236.000000 5 274.114300 3236.000000 5 280.097000 3236.000000 5 285.786700 3236.000000 5 289.257400 3236.000000 5 291.008800 3236.000000 5 294.296700 3236.000000 5 300.161400 3236.000000 5 305.344700 3236.000000 5 310.284600 3236.000000 5 314.190000 3236.000000 5 327.912300 3236.000000 5 330.300600 3236.000000 5 342.923700 3236.000000 5 345.830500 3236.000000 5 348.050000 6198.000000 10 355.131200 3236.000000 5 356.236800 6198.000000 10 357.798300 3236.000000 5 359.108200 6198.000000 10 360.858600 3236.000000 5 362.229000 3236.000000 5 378.222000 3236.000000 5 379.325400 3236.000000 5 379.980800 4278.000000 7 384.244800 3236.000000 5 387.075600 3236.000000 5 391.265100 3236.000000 5 398.138000 3236.000000 5 399.058900 3236.000000 5 400.673100 3236.000000 5 400.884700 3236.000000 5 401.057900 3236.000000 5 406.232000 3236.000000 5 414.251000 3236.000000 5 415.973900 3236.000000 5 419.332200 3236.000000 5 420.316700 6198.000000 10 434.200700 3236.000000 5 436.647000 3236.000000 5 449.328200 6198.000000 10 449.654200 3236.000000 5 459.673900 3236.000000 5 461.117200 3236.000000 5 464.507600 3236.000000 5 470.429100 3236.000000 5 511.189500 6198.000000 10 512.972700 3236.000000 5 517.575400 3236.000000 5 522.374300 3236.000000 5 523.253200 3236.000000 5 523.539000 3236.000000 5 525.189400 3236.000000 5 538.062300 3236.000000 5 539.088200 607128.000000 999 539.311400 10828.000000 18 539.512200 11761.000000 19 539.824800 6198.000000 10 540.092700 198896.000000 327 540.807600 3236.000000 5 541.098200 36092.000000 59 541.701900 3236.000000 5 542.104500 3236.000000 5 555.091400 9566.000000 16 561.198500 3236.000000 5 561.745000 3236.000000 5 566.378000 3236.000000 5 573.835100 3236.000000 5 575.309300 3236.000000 5 577.154700 3236.000000 5 583.080000 3236.000000 5 592.024600 3236.000000 5 600.613300 5101.000000 8 628.435600 3236.000000 5 672.396500 3236.000000 5 696.734000 3236.000000 5 706.355200 3236.000000 5 708.885900 3236.000000 5 724.398100 3236.000000 5 733.036500 3236.000000 5 769.247800 3236.000000 5 791.258400 3236.000000 5 804.341300 3236.000000 5 820.061200 3236.000000 5 828.005800 3236.000000 5 829.693500 3236.000000 5 834.655600 3236.000000 5 841.332000 3236.000000 5 849.378800 3236.000000 5 876.904700 3236.000000 5 893.544700 3236.000000 5 906.228700 3236.000000 5 931.952800 3236.000000 5 1001.743000 3236.000000 5 1035.108200 3236.000000 5 1038.078400 3236.000000 5 1043.038300 3236.000000 5 1048.009900 3236.000000 5 1053.149300 3236.000000 5 1074.368100 3236.000000 5 1077.173300 90761.000000 149 1078.182800 67611.000000 111 1078.845600 3236.000000 5 1079.192800 30644.000000 50 1079.855800 3236.000000 5 1081.245800 6198.000000 10 1094.176700 6198.000000 10 1094.717100 3236.000000 5 1095.130500 3236.000000 5 1096.848500 3236.000000 5 1100.129100 6198.000000 10 1101.085500 3236.000000 5 1108.751900 3236.000000 5 1138.483300 3236.000000 5 1168.148200 3236.000000 5 1185.819200 3236.000000 5 1235.571300 3236.000000 5 1242.065400 3236.000000 5 1256.739400 3236.000000 5 1266.125300 3236.000000 5 1331.401700 3236.000000 5 1366.235300 3236.000000 5 1403.642000 3236.000000 5 1407.749400 3236.000000 5 1423.404800 3236.000000 5 1424.238800 3236.000000 5 1424.819100 3236.000000 5 1443.050200 3236.000000 5 1471.812000 3236.000000 5 1473.877300 3236.000000 5 1524.103200 3236.000000 5 1563.407200 3236.000000 5 1575.132000 3236.000000 5 1576.772400 3236.000000 5 1596.869300 6198.000000 10 1601.173100 3236.000000 5 1615.277700 3236.000000 5 1616.282000 11300.000000 19 1617.286600 6198.000000 10 1637.561500 3236.000000 5 1647.180700 3236.000000 5 1670.154000 3236.000000 5 1706.202100 3236.000000 5 1707.790200 3236.000000 5 1719.445700 3236.000000 5 1748.617400 3236.000000 5 1757.388600 3236.000000 5 1777.426700 3236.000000 5 1848.455000 3236.000000 5 1897.570900 3236.000000 5 1939.409000 3236.000000 5 1951.191900 3236.000000 5 1972.516500 3236.000000 5 1980.634100 3236.000000 5 1991.126000 3236.000000 5 1994.343300 3236.000000 5 1996.017400 3236.000000 5 //