MassBank Record: BS002022



 Hex-hexA-Mal-Gypsogenic acid (or Polygalagenin) (PUT); LC-ESI-QTOF; MS2; CE:51 eV; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: BS002022
RECORD_TITLE: Hex-hexA-Mal-Gypsogenic acid (or Polygalagenin) (PUT); LC-ESI-QTOF; MS2; CE:51 eV; [M-H]-
DATE: 2017.12.01 (2014.12.12)
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$NAME: Hex-hexA-Mal-Gypsogenic acid (or Polygalagenin) (PUT) CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C45H66O19 CH$EXACT_MASS: 910.4198 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$MASS_SPECTROMETRY: COLLISION_ENERGY 51 eV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.013 AC$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 855 sec
MS$FOCUSED_ION: PRECURSOR_M/Z 865.4195 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-014i-0000232090-40d2c1ad065a4433b102 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 99.0071 16 16 111.0093 16 16 113.0239 63 63 160.0950 8 8 467.3133 67 67 468.3179 14 14 485.3264 292 292 486.3244 64 64 581.3458 40 40 599.3564 661 661 600.3588 238 238 643.3428 109 109 644.3409 19 19 679.9666 10 10 703.3692 39 39 823.4117 47 47 865.4205 999 999 866.4214 500 500 867.4310 109 109 //

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