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MassBank Record: PN000119

7,4'-Dihydroxyflavone; ESI-TOF; MS2; CE:15 eV; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PN000119
RECORD_TITLE: 7,4'-Dihydroxyflavone; ESI-TOF; MS2; CE:15 eV; [M+H]+
DATE: 2011.03.19
AUTHORS: Institute of Bioorganic Chemistry, Polish Academy of Sciences,Poland/Anna Staszków
LICENSE: CC BY-SA
COPYRIGHT: Copyright(C) 2011
COMMENT: standard

CH$NAME: 7,4'-Dihydroxyflavone
CH$NAME: 4H-1-Benzopyran-4-one, 7-hydroxy-2-(4-hydroxyphenyl)
CH$NAME: 7-Hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
CH$COMPOUND_CLASS: Natural Product; flavone
CH$FORMULA: C15H10O4
CH$EXACT_MASS: 254.0579088
CH$SMILES: OC=1C=CC(=CC=1)C2=CC(=O)C3=CC=C(O)C=C3(O2)
CH$IUPAC: InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H
CH$LINK: PUBCHEM CID:5282073
CH$LINK: CAS 2196-14-7
CH$LINK: INCHIKEY LCAWNFIFMLXZPQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50176365

AC$INSTRUMENT: micrOTOF-Q
AC$INSTRUMENT_TYPE: ESI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7
AC$MASS_SPECTROMETRY: COLLISION_GAS argon
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.028
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 44.9269-1004.95
AC$CHROMATOGRAPHY: RETENTION_TIME 342.991 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um

MS$FOCUSED_ION: PRECURSOR_M/Z 255.064
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: BASE_PEAK 137.023
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-000j-1900000000-993d80b7631f736596b9
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  81.033 92 92
  89.037 74 74
  91.054 323 323
  92.057 17 17
  93.033 33 33
  95.012 48 48
  107.050 36 36
  109.029 108 108
  115.054 49 49
  117.034 56 56
  119.048 246 246
  120.050 26 26
  121.028 96 96
  128.061 83 83
  129.066 26 26
  131.047 40 40
  137.023 999 999
  138.027 75 75
  139.050 39 39
  141.072 24 24
  145.029 788 788
  146.031 71 71
  152.060 135 135
  153.067 66 66
  155.035 18 18
  157.061 57 57
  167.053 20 20
  169.064 23 23
  181.062 74 74
  227.072 34 34
  234.935 25 25
  252.950 23 23
  255.063 57 57
//

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