MassBank Record: PT208130

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12:0 LysoPC, Phosphocholine,1-Lauroyl-2-Hydroxy-sn-Glycero-3- , [(2R)-3-dodecanoyloxy-2-hydroxypropyl] 2-trimethylazaniumylethyl phosphate, 1-Dodecanoyllysolecithin, 1-Lauroyl-2-Hydroxy-sn-Glycero-3-Phosphocholine; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PT208130
RECORD_TITLE: 12:0 LysoPC, Phosphocholine,1-Lauroyl-2-Hydroxy-sn-Glycero-3- , [(2R)-3-dodecanoyloxy-2-hydroxypropyl] 2-trimethylazaniumylethyl phosphate, 1-Dodecanoyllysolecithin, 1-Lauroyl-2-Hydroxy-sn-Glycero-3-Phosphocholine; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 12:0 LysoPC
CH$NAME: Phosphocholine,1-Lauroyl-2-Hydroxy-sn-Glycero-3-
CH$NAME: [(2R)-3-dodecanoyloxy-2-hydroxypropyl] 2-trimethylazaniumylethyl phosphate
CH$NAME: 1-Dodecanoyllysolecithin
CH$NAME: 1-Lauroyl-2-Hydroxy-sn-Glycero-3-Phosphocholine
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Phospholipid CLASS3 Phosphocholine
CH$FORMULA: C20H42NO7P
CH$EXACT_MASS: 439.532
CH$SMILES: CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
CH$IUPAC: InChI=1S/C20H42NO7P/c1-5-6-7-8-9-10-11-12-13-14-20(23)26-17-19(22)18-28-29(24,25)27-16-15-21(2,3)4/h19,22H,5-18H2,1-4H3
CH$LINK: CAS 20559-18-6
CH$LINK: INCHIKEY BWKILASWCLJPBO-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 438.26208

PK$SPLASH: splash10-03dr-6090400000-39410137d40954cda4ab
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  77.4146 3.787 124
  77.4302 2.753 90
  77.444 2.944 96
  77.572 3.982 130
  78.6619 2.861 94
  78.9649 6.453 211
  199.1827 3.313 108
  213.1656 30.52 999
  438.2621 15.59 510
//