MassBank Record: BS002004



 HexA-Chrysoeriol (or Kaempferide) (PUT); LC-ESI-QTOF; MS 
Mass Spectrum
Chemical Structure

ACCESSION: BS002004
RECORD_TITLE: HexA-Chrysoeriol (or Kaempferide) (PUT); LC-ESI-QTOF; MS
DATE: 2017.12.01 (2014.12.10)
AUTHORS: , Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LICENSE: CC BY-NC-SA 4.0 International

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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