MassBank Record: BS002038



 Hex-hex-hexA-hederagenin (or hex-hex-hexA-2-hydroxyoleanolic acid) (peak 1) (Put); LC-ESI-QTOF; MS 
Mass Spectrum
Chemical Structure

ACCESSION: BS002038
RECORD_TITLE: Hex-hex-hexA-hederagenin (or hex-hex-hexA-2-hydroxyoleanolic acid) (peak 1) (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$NAME: Hex-hex-hexA-hederagenin (or hex-hex-hexA-2-hydroxyoleanolic acid) (peak 1) (Put) CH$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 0.013 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$CHROMATOGRAPHY: RETENTION_TIME 773.4 sec
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-00di-1000000009-28b17158e420afebc994 PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 840.3190 13 13 971.4859 999 999 971.9883 169 169 972.4878 573 573 972.9884 42 42 973.4899 178 178 974.4955 42 42 993.5009 25 25 994.0023 32 32 994.9949 14 14 995.5016 11 11 1005.4784 16 16 1005.9767 16 16 1007.4930 13 13 1007.9978 10 10 1016.5108 23 23 1017.5004 11 11 1039.4730 70 70 1040.4724 37 37 1041.4768 17 17 1043.5048 36 36 1044.5034 20 20 1057.4707 15 15 1059.5016 22 22 1071.4078 15 15 1072.4141 10 10 1085.4768 17 17 1086.4784 11 11 1089.4200 43 43 1090.4186 29 29 1107.4579 20 20 1457.7277 26 26 1458.2344 42 42 1458.7323 32 32 1459.2400 20 20 1459.7264 10 10 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)