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MassBank Record: PN000118

7,4'-Dihydroxyflavone; ESI-TOF; MS2; CE:25 eV; [M-H]-

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

ACCESSION: PN000118
RECORD_TITLE: 7,4'-Dihydroxyflavone; ESI-TOF; MS2; CE:25 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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV
AC$MASS_SPECTROMETRY: COLLISION_GAS argon
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.033
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 44.7388-1204.74
AC$CHROMATOGRAPHY: RETENTION_TIME 346.079 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um

MS$FOCUSED_ION: PRECURSOR_M/Z 253.05
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: BASE_PEAK 117.035
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-014i-0900000000-5c5bd4a2b8a8c4715112
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  89.034 13 13
  91.016 65 65
  117.033 999 999
  118.036 69 69
  132.020 25 25
  133.028 41 41
  135.007 32 32
  180.060 26 26
  195.045 19 19
  223.044 42 42
  224.046 24 24
//

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