MassBank Record: BS002049



 Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 2) (PUT); LC-ESI-QTOF; MS2; CE:45 eV; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: BS002049
RECORD_TITLE: Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 2) (PUT); LC-ESI-QTOF; MS2; CE:45 eV; [M-H]-
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$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 45 eV AC$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$FOCUSED_ION: PRECURSOR_M/Z 721.372 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-004i-0192001000-c2a8a944923cba204832 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 101.0234 96 96 101.0268 44 44 113.0272 15 15 119.0344 81 81 235.0807 156 156 277.2172 999 999 278.2202 143 143 397.1351 315 315 398.1366 27 27 415.1453 102 102 675.4091 134 134 676.3998 45 45 //

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