MassBank Record: BS002043



 Hex-hex Hederagenin (+ formic acid) (PUT); LC-ESI-QTOF; MS 
Mass Spectrum
Chemical Structure

ACCESSION: BS002043
RECORD_TITLE: Hex-hex Hederagenin (+ formic acid) (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$NAME: Hex-hex Hederagenin (+ formic acid) (PUT) CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C43H70O16 CH$EXACT_MASS: 842.4664 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$CHROMATOGRAPHY: RETENTION_TIME 921.6 sec
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-0006-0000000091-58ef418939c1780f1700 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 116.9278 9 9 556.0020 9 9 557.0009 1 1 633.3951 26 26 809.4299 21 21 831.4308 27 27 841.2939 1 1 841.3650 1 1 841.4592 999 999 841.9733 1 1 842.4620 475 475 843.4646 152 152 843.6534 2 2 844.4677 34 34 858.4463 21 21 909.3486 2 2 909.4448 97 97 910.4451 49 49 913.3874 71 71 914.3893 41 41 915.3949 2 2 987.4727 17 17 //

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