MassBank Record: BS002012



 Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT); LC-ESI-QTOF; MS2; CE:39 eV; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: BS002012
RECORD_TITLE: Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT); LC-ESI-QTOF; MS2; CE:39 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$NAME: Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C27H46O9 CH$EXACT_MASS: 514.3142 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$MASS_SPECTROMETRY: COLLISION_ENERGY 39 eV AC$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 1357.2 sec
MS$FOCUSED_ION: PRECURSOR_M/Z 559.3087 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-004i-0090000000-741dfa34ec37e283c40f PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 101.0222 9 9 119.0353 8 8 231.9392 19 19 247.9351 10 10 253.0929 63 63 277.2168 999 999 278.2131 12 12 278.2202 136 136 279.2341 17 17 393.9716 127 127 535.9935 18 18 555.9965 21 21 708.4294 7 7 //

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