MassBank Record: BS002050



 Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 2) (PUT); LC-ESI-QTOF; MS 
Mass Spectrum
Chemical Structure

ACCESSION: BS002050
RECORD_TITLE: Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 2) (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$NAME: Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 2) (PUT) CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C33H56O14 CH$EXACT_MASS: 676.3670 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$CHROMATOGRAPHY: RETENTION_TIME 1282.8 sec
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-00fr-0000005900-7658161da9d462aa5c13 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 116.9282 19 19 291.1958 17 17 474.2625 9 9 556.0020 6 6 675.3604 778 778 676.3618 287 287 677.3644 68 68 678.2209 1 1 689.3910 15 15 711.3367 39 39 721.3657 999 999 722.3683 376 376 723.1106 2 2 723.3712 86 86 724.3740 31 31 743.3470 19 19 789.3102 2 2 789.3528 113 113 790.3549 40 40 791.2959 1 1 793.2943 132 132 793.3673 2 2 794.3002 66 66 794.7946 1 1 795.2968 4 4 857.3360 29 29 858.3398 1 1 1150.6353 40 40 1151.6302 26 26 1151.6986 2 2 1351.7196 24 24 //

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