ACCESSION: MSBNK-RIKEN_ReSpect-PT211660
RECORD_TITLE: Arachidonic acid, Arachidonate, AA, Ara, Eicosa-5Z,8Z,11Z,14Z-tetraenoic acid, (5Z,8Z,11Z,14Z)-Icosatetraenoic acid, (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid, Arachidonsaeure, C20:4n-6, cis,cis,cis,cis-5,8,11,14-Eicosatetraenoic acid; LC-ESI-QTOF; MS2
DATE: 2008.07.29
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$NAME: Arachidonic acid
CH$NAME: Arachidonate
CH$NAME: AA
CH$NAME: Ara
CH$NAME: Eicosa-5Z,8Z,11Z,14Z-tetraenoic acid
CH$NAME: (5Z,8Z,11Z,14Z)-Icosatetraenoic acid
CH$NAME: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CH$NAME: Arachidonsaeure
CH$NAME: C20:4n-6
CH$NAME: cis,cis,cis,cis-5,8,11,14-Eicosatetraenoic acid
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Carboxylic acid CLASS3 Arachidonic acid
CH$FORMULA: C₂₀H₃₂O₂
CH$EXACT_MASS: 304.474
CH$SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
CH$IUPAC: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)
CH$LINK: CAS 506-32-1
CH$LINK: INCHIKEY YZXBAPSDXZZRGB-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 303.23242

PK$SPLASH: splash10-0nmi-0913000000-95846e8d5e8afd29664b
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  156.8889 2.774 412
  159.8858 5.034 747
  160.8858 6.728 999
  161.8904 1.752 260
  162.8879 3.316 492
  234.9044 2.16 321
  272.785 2.132 317
  302.7744 4.69 696
  303.7733 3.315 492
//