MassBank Record: BS002016



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

ACCESSION: BS002016
RECORD_TITLE: Hex-hex-hexA-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$NAME: Hex-hex-hexA-Bayogenin (PUT) CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C48H76O21 CH$EXACT_MASS: 988.4879 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 0.015 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$CHROMATOGRAPHY: RETENTION_TIME 720.6 sec
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-000i-1020000009-d841ad25f831680876a6 PK$NUM_PEAK: 57 PK$PEAK: m/z int. rel.int. 252.0429 107 107 253.0456 16 16 267.0664 375 375 268.0698 78 78 269.0451 1 1 269.0717 1 1 271.0970 18 18 556.0020 7 7 629.2830 18 18 629.7825 11 11 811.4495 23 23 859.4486 2 2 859.4747 15 15 973.0025 2 2 973.4980 21 21 973.9857 1 1 974.4570 1 1 974.5041 9 9 987.2424 3 3 987.4808 999 999 987.7076 1 1 987.9828 61 61 988.4835 579 579 988.9936 16 16 989.4884 184 184 990.4901 52 52 1019.5032 52 52 1020.5059 25 25 1021.1937 1 1 1021.4904 10 10 1021.5176 12 12 1021.9765 3 3 1055.4691 94 94 1056.4727 49 49 1057.4373 1 1 1057.4727 2 2 1087.4010 15 15 1087.4476 2 2 1087.4918 14 14 1088.3993 2 2 1091.4297 10 10 1092.4344 1 1 1105.4159 42 42 1106.4191 33 33 1107.4019 3 3 1107.4391 1 1 1117.4396 18 18 1117.5482 12 12 1118.0447 5 5 1118.4467 3 3 1123.4608 21 21 1123.5265 4 4 1124.0208 3 3 1124.4652 1 1 1127.4000 9 9 1127.6772 1 1 1128.3715 1 1 //

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