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MassBank Record: BS002061

HexA-Apigenin (or Galangin or Genistein) (PUT); LC-ESI-QTOF; MS2; CE:34 eV; [M-H]-

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

ACCESSION: BS002061
RECORD_TITLE: HexA-Apigenin (or Galangin or Genistein) (PUT); LC-ESI-QTOF; MS2; CE:34 eV; [M-H]-
DATE: 2017.12.01 (Created 2014.12.12)
AUTHORS: Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LICENSE: CC BY-NC-SA

CH$NAME: HexA-Apigenin (or Galangin or Genistein) (PUT)
CH$COMPOUND_CLASS: Natural Product; N/A
CH$FORMULA: C21H18O11
CH$EXACT_MASS: 446.0849
CH$SMILES: N/A
CH$IUPAC: N/A

AC$INSTRUMENT: Bruker impact HD
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 34 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.017
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1500
AC$CHROMATOGRAPHY: COLUMN_NAME Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
AC$CHROMATOGRAPHY: FLOW_GRADIENT 95/5 at 0 min, 20/80 at 35 min; 5/95 at 35 min, 5/95 at 38 min; 95/5 at 38.1 min, 95/5 at 45 min
AC$CHROMATOGRAPHY: FLOW_RATE FLOW_RATE 560 uL / min
AC$CHROMATOGRAPHY: SOLVENT A water with 0.05% formic acid
AC$CHROMATOGRAPHY: SOLVENT B acetonitrile with 0.05 % formic acid
AC$CHROMATOGRAPHY: RETENTION_TIME 376.8 sec

MS$FOCUSED_ION: PRECURSOR_M/Z 445.0763
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)

PK$SPLASH: splash10-014i-0090000000-9a5cfbe030ed17efa7c6
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  113.0246 25 25
  117.0342 13 13
  151.0030 17 17
  225.0545 21 21
  246.3695 15 15
  269.0461 999 999
  270.0484 126 126
//

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