ACCESSION: MSBNK-IPB_Halle-PB006306
RECORD_TITLE: Amentoflavone; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.08.13, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 4341
COMMENT: CONFIDENCE confident structure

CH$NAME: Amentoflavone
CH$NAME: 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₃₀H₁₈O₁₀
CH$EXACT_MASS: 538.09000
CH$SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O
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: INCHIKEY YUSWMAULDXZHPY-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:5281600
CH$LINK: COMPTOX DTXSID20167225

AC$INSTRUMENT: micrOTOF-Q
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-0002390000-dbb1987153fe31c83ecd
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  121.026 10.020 0
  153.017 70.140 6
  242.057 10.020 0
  251.029 10.020 0
  269.039 30.060 2
  270.049 180.361 17
  271.056 40.080 3
  283.056 180.361 17
  284.063 20.040 1
  307.054 110.220 10
  308.057 20.040 1
  311.051 160.321 15
  312.052 10.020 0
  319.056 30.060 2
  321.072 10.020 0
  333.068 20.040 1
  335.050 420.842 41
  336.053 50.100 4
  337.036 20.040 1
  343.084 10.020 0
  345.071 60.120 5
  347.050 120.240 11
  349.063 10.020 0
  353.069 20.040 1
  355.040 10.020 0
  359.051 80.160 7
  361.029 30.060 2
  375.044 50.100 4
  376.052 50.100 4
  377.059 1412.826 140
  378.063 250.501 24
  379.044 60.120 5
  387.080 641.283 63
  388.087 120.240 11
  389.062 10.020 0
  390.067 10.020 0
  401.057 50.100 4
  403.039 2354.709 234
  404.043 501.002 49
  404.156 10.020 0
  405.049 20.040 1
  413.063 30.060 2
  418.066 50.100 4
  419.071 100.200 9
  421.049 721.443 71
  422.051 150.301 14
  423.055 10.020 0
  431.066 30.060 2
  445.054 20.040 1
  453.098 20.040 1
  469.087 10.020 0
  471.102 10.020 0
  495.103 60.120 5
  496.091 20.040 1
  497.079 480.962 47
  498.082 120.240 11
  511.095 20.040 1
  521.076 40.080 3
  539.090 10000.000 999
  539.221 10.020 0
  539.320 10.020 0
  539.420 20.040 1
  539.495 10.020 0
  539.603 10.020 0
  539.715 10.020 0
  539.796 10.020 0
  540.093 2945.892 293
  540.274 20.040 1
  540.350 10.020 0
  541.096 300.601 29
//