MassBank Record: KO000438



 2-Carboxybenzaldehyde; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000438
RECORD_TITLE: 2-Carboxybenzaldehyde; LC-ESI-QQ; MS2; CE:20 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 C038

CH$NAME: 2-Carboxybenzaldehyde CH$NAME: o-Formylbenzoic acid CH$NAME: Phthalaldehydic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H6O3 CH$EXACT_MASS: 150.03169 CH$SMILES: O=Cc(c1)c(ccc1)C(O)=O CH$IUPAC: InChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11) CH$LINK: CAS 119-67-5 CH$LINK: CHEBI 17605 CH$LINK: KEGG C03057 CH$LINK: NIKKAJI J95.028I CH$LINK: PUBCHEM SID:5957
AC$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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 149 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0udi-1900000000-c649d57071eb5ae7a373 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 59.200 153465.5 14 76.900 1663368.0 150 86.600 29703.0 3 104.900 11113872.5 999 114.700 14851.5 1 116.000 24752.5 2 116.600 14851.5 1 121.000 143564.5 13 149.300 910892.0 82 //