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MassBank Record: BS002004

HexA-Chrysoeriol (or Kaempferide) (PUT); LC-ESI-QTOF; MS

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

ACCESSION: BS002004
RECORD_TITLE: HexA-Chrysoeriol (or Kaempferide) (PUT); LC-ESI-QTOF; MS
DATE: 2017.12.01 (Created 2014.12.10)
AUTHORS: Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LICENSE: CC BY-NC-SA

CH$NAME: HexA-Chrysoeriol (or Kaempferide) (PUT)
CH$COMPOUND_CLASS: Natural Product; N/A
CH$FORMULA: C22H20O12
CH$EXACT_MASS: 476.0955
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 412.8 sec

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

PK$SPLASH: splash10-004j-0010940001-9889c6b75e72f8ae1717
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  299.0559 303 303
  300.0597 55 55
  301.0584 1 1
  329.1384 33 33
  475.0880 999 999
  476.0915 250 250
  477.0943 70 70
  477.9366 2 2
  497.0703 136 136
  497.9657 1 1
  498.0705 39 39
  565.0549 54 54
  566.0659 3 3
  597.2405 509 509
  598.2454 170 170
  599.2466 40 40
  599.5816 3 3
  599.8736 1 1
  665.2322 52 52
  666.0239 33 33
  666.2292 2 2
  835.2634 46 46
  836.2664 21 21
  837.2737 1 1
  951.1843 127 127
  952.1864 72 72
  953.1680 3 3
  953.2000 8 8
//

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