MassBank Record: BS002009



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

ACCESSION: BS002009
RECORD_TITLE: 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$NAME: Glc-octadecatrienoyl-sn-glycerol (isomer 2) (PUT) CH$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$MASS_SPECTROMETRY: MS_TYPE MS AC$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$CHROMATOGRAPHY: RETENTION_TIME 1391.4 sec
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-08fr-0020090000-85e12e4c6a5b39a08814 PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 112.9851 43 43 116.9277 43 43 117.9260 1 1 174.9555 13 13 252.8996 1 1 253.0924 71 71 277.2167 376 376 278.2197 77 77 279.2252 7 7 438.2617 10 10 513.0012 1 1 513.3063 550 550 514.3097 174 174 514.3962 1 1 515.2768 1 1 515.3114 32 32 549.2829 70 70 550.2848 22 22 551.2791 28 28 559.2499 2 2 559.3122 999 999 559.3928 2 2 559.4412 1 1 560.3151 330 330 561.3163 75 75 576.2057 1 1 576.3014 11 11 603.3361 17 17 626.8174 1 1 627.2993 34 34 631.2416 20 20 632.2429 1 1 1027.5918 1 1 1027.6205 44 44 1028.6235 27 27 1073.3093 1 1 1073.6193 23 23 1074.2673 1 1 1074.4248 1 1 1074.6288 17 17 1078.6436 35 35 1079.6465 17 17 1080.1580 1 1 1080.5286 1 1 1080.6479 8 8 //

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