MassBank Record: BS002021



 Hex-hexA-Mal-Gypsogenic acid (or Polygalagenin) (PUT); LC-ESI-QTOF; MS 
Mass Spectrum
Chemical Structure

ACCESSION: BS002021
RECORD_TITLE: Hex-hexA-Mal-Gypsogenic acid (or Polygalagenin) (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$NAME: Hex-hexA-Mal-Gypsogenic acid (or Polygalagenin) (PUT) CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C45H66O19 CH$EXACT_MASS: 910.4198 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$CHROMATOGRAPHY: RETENTION_TIME 855 sec
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-014i-1000000092-4418ce25052377cb6028 PK$NUM_PEAK: 44 PK$PEAK: m/z int. rel.int. 396.2158 42 42 396.7159 22 22 675.4083 21 21 807.4164 10 10 837.4600 135 135 838.4640 73 73 839.4654 23 23 865.4230 999 999 865.9208 20 20 866.4260 490 490 867.4281 156 156 868.4302 41 41 881.4492 51 51 882.4550 23 23 887.4128 54 54 887.9160 38 38 888.4228 29 29 909.4122 148 148 909.9166 38 38 910.4147 79 79 911.4252 25 25 931.3926 83 83 932.3962 42 42 949.4450 20 20 950.4443 10 10 953.4383 28 28 954.4366 23 23 957.5006 12 12 958.5046 10 10 981.3780 17 17 999.3752 19 19 1003.5055 24 24 1004.5128 13 13 1009.3316 53 53 1010.3395 33 33 1011.3417 20 20 1043.5044 19 19 1044.5083 18 18 1067.5066 14 14 1071.4968 17 17 1072.5000 11 11 1073.5088 17 17 1219.5695 14 14 1220.5673 11 11 //

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