MassBank Record: BS002024



 Hex-hex-hex-Pen-Bayogenin (PUT); LC-ESI-QTOF; MS2; CE:62 eV; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: BS002024
RECORD_TITLE: Hex-hex-hex-Pen-Bayogenin (PUT); LC-ESI-QTOF; MS2; CE:62 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$NAME: Hex-hex-hex-Pen-Bayogenin (PUT) CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C54H88O24 CH$EXACT_MASS: 1120.5666 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$MASS_SPECTROMETRY: COLLISION_ENERGY 62 eV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.014 AC$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 718.2 sec
MS$FOCUSED_ION: PRECURSOR_M/Z 1165.557 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-0a4i-0000302039-32d64d65f691ffe36e23 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 101.0239 17 17 113.0233 17 17 439.3191 15 15 440.3222 13 13 487.3420 520 520 488.3464 129 129 559.5728 11 11 631.3821 128 128 649.3926 263 263 650.3959 96 96 793.4361 56 56 811.4393 385 385 812.4479 175 175 957.5041 999 999 958.5066 421 421 959.5098 139 139 //

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