MassBank Record: PB000624



 o-Anisic acid; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000624
RECORD_TITLE: o-Anisic acid; LC-ESI-QTOF; MS2; CE:25 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 25 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-3900000000-d6fc6b20fe7614a09f5c PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 77.039 2646.401 263 79.055 632.991 62 92.026 432.722 42 95.051 552.526 54 105.040 337.059 32 107.049 133.214 12 120.024 180.599 17 135.045 10000.000 999 //