MassBank Record: BS002040



 Hex-hexA-dhex Bayogenin (PUT); LC-ESI-QTOF; MS 
Mass Spectrum
Chemical Structure

ACCESSION: BS002040
RECORD_TITLE: Hex-hexA-dhex Bayogenin (PUT); LC-ESI-QTOF; MS
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$NAME: Hex-hexA-dhex Bayogenin (PUT) CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C55H72O15 CH$EXACT_MASS: 972.4871 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 0.014 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$CHROMATOGRAPHY: RETENTION_TIME 918 sec
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-00di-0000000009-0cbd7214dc9df9b1c355 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 266.0210 67 67 267.0235 12 12 281.0443 90 90 282.0475 16 16 695.4014 9 9 971.4830 999 999 971.9818 31 31 972.4857 561 561 972.9848 10 10 973.4861 178 178 974.4890 55 55 993.4618 108 108 994.4675 61 61 995.4754 23 23 1007.4611 20 20 1061.4567 25 25 1089.4182 68 68 1090.4170 47 47 1091.4229 24 24 1159.5488 54 54 1160.5565 34 34 //

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