MassBank Record: KO000255



 p-Anisic acid; 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: KO000255
RECORD_TITLE: p-Anisic acid; 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 A154

CH$NAME: p-Anisate CH$NAME: 4-Methoxybenzoate CH$NAME: 4-Anisic acid CH$NAME: 4-Methoxybenzoic acid CH$NAME: p-Anisic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H8O3 CH$EXACT_MASS: 152.04734 CH$SMILES: COc(c1)ccc(c1)C(O)=O CH$IUPAC: InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10) CH$LINK: CAS 100-09-4 CH$LINK: CHEBI 1889 CH$LINK: CHEMPDB ANN CH$LINK: KEGG C02519 CH$LINK: NIKKAJI J3.229H CH$LINK: PUBCHEM SID:5529
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 151 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-9000000000-73a2bb654df643c39008 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 59.100 975248.5 999 92.100 391089.5 401 106.900 29703.0 30 107.800 44554.5 46 121.800 14851.5 15 //