ACCESSION: MSBNK-RIKEN-PR100784
RECORD_TITLE: 1-Myristoyl-2-hydroxy-sn-glycero-3-phosphate; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
DATE: 2016.01.19 (Created 2009.09.10, modified 2011.05.06)
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 1-Myristoyl-2-hydroxy-sn-glycero-3-phosphate
CH$NAME: 14:0 LysoPA
CH$NAME: 1-Myristoyllysophosphatidic acid
CH$NAME: 1-tetradecanoyl-2-sn-glycero-3-phosphate
CH$COMPOUND_CLASS: Glycerophospholipids
CH$FORMULA: C₁₇H₃₅O₇P
CH$EXACT_MASS: 382.21204
CH$SMILES: CCCCCCCCCCCCCC(=O)OCC(O)COP(O)(O)=O
CH$IUPAC: InChI=1S/C17H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h16,18H,2-15H2,1H3,(H2,20,21,22)/t16-/m1/s1
CH$LINK: CAS 65446-07-3
CH$LINK: CHEMSPIDER 7826123
CH$LINK: LIPIDBANK PGP4510
CH$LINK: LIPIDMAPS LMGP10050007
CH$LINK: PUBCHEM CID:9547180
CH$LINK: INCHIKEY FAZBDRGXCKPVJU-MRXNPFEDSA-N

AC$INSTRUMENT: UPLC Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DATE 2008.07.28
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 420 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SCANNING 1.0 sec/scan (m/z = 50-1000)
AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V
AC$CHROMATOGRAPHY: SOLVENT A CH3CN(0.1%HCOOH)
AC$CHROMATOGRAPHY: SOLVENT B H2O(0.1%HCOOH)

MS$FOCUSED_ION: PRECURSOR_M/Z 381.20423
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

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
//