MassBank Record: PB000625



 o-Anisic acid; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000625
RECORD_TITLE: o-Anisic acid; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.01.02, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 304
COMMENT: CONFIDENCE: confident structure

CH$NAME: o-Anisic acid CH$NAME: 2-methoxybenzoic acid CH$COMPOUND_CLASS: Natural Product; benzenoid CH$FORMULA: C8H8O3 CH$EXACT_MASS: 152.04734 CH$SMILES: COC1=CC=CC=C1C(=O)O CH$IUPAC: InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10) CH$LINK: INCHIKEY ILUJQPXNXACGAN-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:11370
AC$INSTRUMENT: API QSTAR Pulsar i AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004l-9000000000-616484432f9d11c3ac1e PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 51.024 1627.149 161 63.024 247.964 23 64.032 814.480 80 77.039 10000.000 999 79.058 307.692 29 92.027 7055.204 704 95.053 1399.095 138 105.044 675.113 66 135.045 537.557 52 //