MassBank Record: BS002023



 Hex-hex-hex-Pen-Bayogenin (PUT); LC-ESI-QTOF; MS; CE:10 eV; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: BS002023
RECORD_TITLE: Hex-hex-hex-Pen-Bayogenin (PUT); LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
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$NAME: Hex-hex-hex-Pen-Bayogenin (PUT) CH$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$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.016 AC$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$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-014i-0910020000-a5afc0bdfdd581a2fa8d PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 112.9848 22 22 116.9282 20 20 146.9611 5 5 174.9561 20 20 259.0605 44 44 267.0665 9 9 283.0581 6 6 327.2185 10 10 543.3174 8 8 556.0020 225 225 557.0056 24 24 582.2803 172 172 582.7812 103 103 583.2846 43 43 605.2828 55 55 605.7823 27 27 646.3015 7 7 666.0189 15 15 701.2689 5 5 957.5072 108 108 958.5110 57 57 1067.5376 10 10 1068.5403 6 6 1073.4824 20 20 1119.5582 223 223 1120.5590 135 135 1121.5636 45 45 1155.5363 24 24 1165.5631 999 999 1166.5653 642 642 1167.5692 258 258 1168.5714 71 71 1233.5522 95 95 1234.5544 60 60 1237.4950 108 108 1238.4940 77 77 1239.4899 10 10 //

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