ACCESSION: MSBNK-RIKEN-PR100783
RECORD_TITLE: 1,2-Dilauroyl-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$NAME: 1,2-Dilauroyl-sn-glycero-3-phosphate
CH$NAME: DLPA
CH$NAME: 12:0/12:0PA
CH$NAME: Dilauroylphosphatidic acid
CH$NAME: 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol
CH$COMPOUND_CLASS: Glycerophosphate
CH$FORMULA: C₂₇H₅₃O₈P
CH$EXACT_MASS: 536.34781
CH$SMILES: CCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCC)COP(O)(O)=O
CH$IUPAC: InChI=1S/C27H53O8P/c1-3-5-7-9-11-13-15-17-19-21-26(28)33-23-25(24-34-36(30,31)32)35-27(29)22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3,(H2,30,31,32)/t25-/m1/s1
CH$LINK: CAS 55332-91-7
CH$LINK: CHEMSPIDER 7826114
CH$LINK: LIPIDMAPS LMGP10010030
CH$LINK: PUBCHEM CID:9547171
CH$LINK: INCHIKEY OKLASJZQBDJAPH-RUZDIDTESA-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$FOCUSED_ION: PRECURSOR_M/Z 535.33999
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-000b-0902030000-d8990bf455527424fbdf
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  78.9609 9.583 105
  152.9967 30.72 336
  199.1703 91.46 999
  335.1658 19.35 211
  353.1725 8.713 95
  535.3400 45.42 496
//