ACCESSION: MSBNK-RIKEN_ReSpect-PT208090
RECORD_TITLE: 1-tetradecanoyl-2-sn-glycero-3-phosphate, 1-Myristoyllysophosphatidic acid, [(2R)-2-hydroxy-3-phosphonooxypropyl] tetradecanoate, 14:0 LysoPA, 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt; 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$NAME: 1-tetradecanoyl-2-sn-glycero-3-phosphate
CH$NAME: 1-Myristoyllysophosphatidic acid
CH$NAME: [(2R)-2-hydroxy-3-phosphonooxypropyl] tetradecanoate
CH$NAME: 14:0 LysoPA
CH$NAME: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Phospholipid CLASS3 Glycerophosphate
CH$FORMULA: C₁₇H₃₅O₇P
CH$EXACT_MASS: 382.436
CH$SMILES: CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
CH$IUPAC: InChI=1S/C17H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h16,18H,2-15H2,1H3,(H2,20,21,22)
CH$LINK: CAS 325465-45-0
CH$LINK: INCHIKEY FAZBDRGXCKPVJU-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 381.20423

PK$SPLASH: splash10-0ufr-5902000000-4631f2b482ca98260382
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  78.9593 75.19 510
  96.9705 8.855 60
  152.9947 147.3 999
  381.2042 48.57 329
//