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MassBank Record: KO001361

Maleic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

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

ACCESSION: KO001361
RECORD_TITLE: Maleic acid; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-03di-2900000000-6bbe33cf398e663af0fc
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  59.000 34653.5 1
  59.500 19802.0 1
  70.900 56787185.5 227
  82.700 14851.5 1
  87.400 34653.5 1
  96.800 148515.0 1
  114.000 133663.5 1
  114.900 249391338.5 999
//

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