ACCESSION: MSBNK-RIKEN_ReSpect-PT210980
RECORD_TITLE: Maleic 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$NAME: maleate
CH$NAME: Toxilic acid
CH$NAME: Malenic acid
CH$NAME: (Z)-1,2-Ethenedicarboxylic Acid
CH$NAME: Maleic acid
CH$NAME: cis-butenedioic acid
CH$NAME: 2-Butenedioic acid
CH$NAME: but-2-enedioic acid
CH$NAME: Maleinic acid
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Carboxylic acid CLASS3 Maleic acid
CH$FORMULA: C₄H₄O₄
CH$EXACT_MASS: 116.072
CH$SMILES: C(=C\C(=O)O)\C(=O)O
CH$IUPAC: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-
CH$LINK: CAS 110-16-7
CH$LINK: INCHIKEY VZCYOOQTPOCHFL-UPHRSURJSA-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 115.00316

PK$SPLASH: splash10-00di-9400000000-99bc7f4db87479b4122a
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  71.0156 25.5 999
  114.9329 1.41 55
  115.0032 11.76 461
//