MassBank Record: KO000730



 3-Ethoxybenzoic acid; 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: KO000730
RECORD_TITLE: 3-Ethoxybenzoic acid; 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 E026

CH$NAME: 3-Ethoxybenzoate CH$NAME: 3-Ethoxybenzoic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10O3 CH$EXACT_MASS: 166.06299 CH$SMILES: CCOc(c1)cc(cc1)C(O)=O CH$IUPAC: InChI=1S/C9H10O3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11) CH$LINK: CAS 621-51-2 CH$LINK: CHEBI 27990 CH$LINK: KEGG C02363 CH$LINK: NIKKAJI J100.252J CH$LINK: PUBCHEM SID:5408
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 165 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-3900000000-fcf1c2f5b37a1a3e9c7c PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 58.900 212871.5 19 75.100 54455.5 5 76.800 34653.5 3 84.800 118812.0 10 92.200 1064357.5 94 93.000 5633669.0 498 97.000 99010.0 9 105.400 94059.5 8 107.100 49505.0 4 121.000 11311892.5 999 135.500 24752.5 2 136.300 69307.0 6 149.000 524753.0 46 150.300 193069.5 17 165.300 4589113.5 405 //