MassBank Record: KO000439



 2-Carboxybenzaldehyde; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000439
RECORD_TITLE: 2-Carboxybenzaldehyde; 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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 149 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a6r-6900000000-be653f0b9fbc6cff7741 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 59.200 94059.5 176 72.600 29703.0 56 76.900 336634.0 629 92.000 39604.0 74 105.200 534654.0 999 120.300 34653.5 65 149.000 59406.0 111 149.300 49505.0 93 //