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MassBank Record: BS002062

Hex-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: BS002062
RECORD_TITLE: Hex-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$NAME: Hex-hexA Apigenin (or Galangin or Genistein) (PUT)
CH$COMPOUND_CLASS: Natural Product; N/A
CH$FORMULA: C27H28O16
CH$EXACT_MASS: 608.1377
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 318 sec

MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)

PK$SPLASH: splash10-0a4i-0010009000-b5aee7a27cbc4a1f0986
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  283.0611 220 220
  284.0632 6 6
  304.9131 58 58
  305.1607 32 32
  351.0549 10 10
  459.1917 51 51
  556.0020 31 31
  557.0028 2 2
  607.1307 999 999
  608.1338 324 324
  609.1354 28 28
  625.1801 51 51
  626.1857 2 2
  651.1249 34 34
  652.1229 11 11
  653.1732 11 11
  675.1178 118 118
  676.1085 3 3
  697.0991 18 18
  697.1980 64 64
  697.7388 1 1
  727.1865 2 2
  727.2077 12 12
  728.2128 1 1
  787.2664 7 7
  787.2900 58 58
  788.2916 2 2
//

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