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MassBank Record: BS002060

HexA-Apigenin (or Galangin or Genistein) (PUT); LC-ESI-QTOF; MS

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

ACCESSION: BS002060
RECORD_TITLE: HexA-Apigenin (or Galangin or Genistein) (PUT); LC-ESI-QTOF; MS
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$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.015
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$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)

PK$SPLASH: splash10-00kb-0060900000-020fcf6e5d1b8e466d98
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  175.0239 53 53
  269.0458 842 842
  270.0493 123 123
  287.0927 271 271
  395.1925 89 89
  445.0789 999 999
  446.0822 223 223
  447.0844 60 60
  467.0602 205 205
  469.0449 56 56
  491.1208 132 132
  535.0479 81 81
  556.0020 59 59
  891.1613 120 120
  892.1635 60 60
//

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