MassBank Record: BS002054



 Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT); LC-ESI-QTOF; MS2; CE:45 eV; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: BS002054
RECORD_TITLE: Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (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$NAME: Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) CH$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$MASS_SPECTROMETRY: PEAK_WIDTH 0.017 AC$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 1245 sec
MS$FOCUSED_ION: PRECURSOR_M/Z 721.3607 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-004i-0192000000-db85636fc2d8893bb1db PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 101.0255 111 111 119.0335 84 84 161.0448 22 22 235.0794 125 125 277.2167 999 999 278.2219 161 161 397.1330 275 275 398.1432 16 16 415.1485 43 43 615.3870 23 23 //

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