MassBank Record: BS002020



 Hex-hex-hex-Mal-Bayogenin (PUT); LC-ESI-QTOF; MS2; CE:56 eV; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: BS002020
RECORD_TITLE: Hex-hex-hex-Mal-Bayogenin (PUT); LC-ESI-QTOF; MS2; CE:56 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$NAME: Hex-hex-hex-Mal-Bayogenin (PUT) CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C51H80O23 CH$EXACT_MASS: 1060.5090 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$MASS_SPECTROMETRY: COLLISION_ENERGY 56 eV AC$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 771.6 sec
MS$FOCUSED_ION: PRECURSOR_M/Z 1015.506 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-03dr-0000503290-3e261dc67aed07684264 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 439.3229 163 163 467.3177 89 89 485.3260 444 444 487.3391 763 763 488.3446 246 246 629.3705 66 66 631.3808 222 222 647.3765 204 204 649.3965 452 452 650.4037 73 73 793.4359 568 568 794.4427 97 97 809.4297 747 747 810.4284 279 279 811.4474 999 999 812.4445 436 436 813.4547 58 58 853.4480 72 72 //

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