MassBank Record: BS002044



 Hexadecanoyl-hydroxy-sn-glycerophosphocholine (PUT); LC-ESI-QTOF; MS 
Mass Spectrum
Chemical Structure

ACCESSION: BS002044
RECORD_TITLE: Hexadecanoyl-hydroxy-sn-glycerophosphocholine (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$NAME: Hexadecanoyl-hydroxy-sn-glycerophosphocholine (PUT) CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C25H52NO9P CH$EXACT_MASS: 541.3380 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 0.016 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$CHROMATOGRAPHY: RETENTION_TIME 1465.2 sec
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-0006-0000391000-156193fcd541667d75a9 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 478.2939 20 20 480.3096 499 499 481.3124 126 126 515.3215 30 30 540.3308 999 999 540.9550 1 1 541.3342 295 295 542.3370 54 54 556.0020 44 44 557.0051 3 3 561.3288 46 46 608.3199 33 33 612.2599 121 121 613.2633 60 60 614.2676 1 1 1035.6614 41 41 //

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