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MassBank Record: PN000009

Apigenin; ESI-TOF; MS2; CE:25 eV; [M-H]-

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

ACCESSION: PN000009
RECORD_TITLE: Apigenin; 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: 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 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$MASS_SPECTROMETRY: PEAK_WIDTH 0.034
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1200
AC$CHROMATOGRAPHY: RETENTION_TIME 439.633 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um

MS$FOCUSED_ION: PRECURSOR_M/Z 269.042
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: BASE_PEAK 117.032
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-014i-0900000000-4514238d7b7c4f7798eb
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  105.032 16 16
  107.010 69 69
  117.032 999 999
  118.036 97 97
  121.026 58 58
  149.023 35 35
  151.001 57 57
  159.042 45 45
  183.043 22 22
  227.031 23 23
//

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