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MassBank Record: PN000010

Apigenin; ESI-TOF; MS2; CE:15 eV; [M+H]+

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

ACCESSION: PN000010
RECORD_TITLE: Apigenin; 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: lupinus_mexico

CH$NAME: Apigenin
CH$NAME: 4',5,7-Trihydroxyflavone
CH$NAME: Spigenin
CH$COMPOUND_CLASS: Natural Product; flavone
CH$FORMULA: C15H10O5
CH$EXACT_MASS: 270.05282342
CH$SMILES: OC=1C=CC(=CC=1)C2=CC(=O)C3=C(O)C=C(O)C=C3(O2)
CH$IUPAC: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
CH$LINK: PUBCHEM CID:5280443
CH$LINK: CAS 520-36-5
CH$LINK: INCHIKEY KZNIFHPLKGYRTM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022391

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$MASS_SPECTROMETRY: PEAK_WIDTH 0.027
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1000
AC$CHROMATOGRAPHY: RETENTION_TIME 435.889 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um

MS$FOCUSED_ION: PRECURSOR_M/Z 271.057
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: BASE_PEAK 153.017
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-0udi-1900000000-51921732db8f71e60d13
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  91.053 300 300
  92.057 22 22
  97.029 22 22
  111.009 19 19
  115.054 65 65
  119.049 321 321
  120.053 21 21
  121.028 148 148
  125.021 21 21
  131.049 27 27
  141.070 60 60
  145.028 208 208
  146.033 27 27
  153.017 999 999
  154.021 64 64
  155.046 38 38
  163.037 49 49
  168.054 20 20
  169.059 29 29
  171.029 19 19
  197.056 45 45
  229.047 17 17
  242.059 16 16
  243.062 28 28
  271.056 93 93
  272.061 18 18
//

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