ACCESSION: MSBNK-BS-BS002048
RECORD_TITLE: Hexadecanoyl-hydroxy-sn-glyceroethanolamine (PUT); LC-ESI-QTOF; MS
DATE: 2017.12.01 (Created 2014.12.12)
AUTHORS: Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LICENSE: CC BY-NC-SA

CH$NAME: Hexadecanoyl-hydroxy-sn-glyceroethanolamine (PUT)
CH$COMPOUND_CLASS: Natural Product; N/A
CH$FORMULA: C₂₁H₄₄NO₇P
CH$EXACT_MASS: 453.2855
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 1457.4 sec

MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)

PK$SPLASH: splash10-0udi-0000920000-75809d3428e54d41b73f
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  452.2775 999 999
  453.2799 224 224
  454.2837 46 46
  520.2638 115 115
  521.2670 29 29
  552.2032 106 106
  553.2024 38 38
  554.2025 3 3
  592.1940 32 32
  593.2026 1 1
  593.2759 1 1
  905.5602 25 25
//