ACCESSION: MSBNK-RIKEN_ReSpect-PT202340
RECORD_TITLE: 1,5-Pentanedioic acid, Dicarboxylic Acid C5, Glutamic Acid, pentanedioic acid, Glutaric acid, 1,3-Propanedicarboxylic acid; 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$NAME: 1,5-Pentanedioic acid
CH$NAME: Dicarboxylic Acid C5
CH$NAME: Glutamic Acid
CH$NAME: pentanedioic acid
CH$NAME: Glutaric acid
CH$NAME: 1,3-Propanedicarboxylic acid
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Carboxylic acid CLASS3 Glutaric acid
CH$FORMULA: C₅H₈O₄
CH$EXACT_MASS: 132.115
CH$SMILES: C(CC(=O)O)CC(=O)O
CH$IUPAC: InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
CH$LINK: CAS 110-94-1
CH$LINK: INCHIKEY JFCQEDHGNNZCLN-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 131.03446

PK$SPLASH: splash10-000i-9400000000-c5ec3115706f6041b868
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  87.0453 189.6 999
  113.0249 24.92 131
  131.0345 79.7 420
//