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MassBank Record: KO001363

Maleic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO001363
RECORD_TITLE: Maleic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M026

CH$NAME: Maleate
CH$NAME: cis-Butenedioic acid
CH$NAME: Maleic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H4O4
CH$EXACT_MASS: 116.01096
CH$SMILES: OC(=O)C=CC(O)=O
CH$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: CHEBI 18300
CH$LINK: CHEMPDB MAE
CH$LINK: KEGG C01384
CH$LINK: NIKKAJI J2.446E
CH$LINK: PUBCHEM SID:4579
CH$LINK: INCHIKEY VZCYOOQTPOCHFL-UPHRSURJSA-N
CH$LINK: COMPTOX DTXSID8021517

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 115
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-00di-9000000000-18e922c569242e2111e7
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  27.500 123762.5 25
  46.100 19802.0 4
  69.100 29703.0 6
  71.000 4905945.5 999
  115.000 59406.0 12
//

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