MassBank Record: KO000732



 3-Ethoxybenzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000732
RECORD_TITLE: 3-Ethoxybenzoic acid; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 165 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9000000000-f4d2a0eb6512a638ccef PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 59.200 24752.5 6 72.900 19802.0 5 75.200 173267.5 43 79.000 59406.0 15 92.000 4049509.0 999 107.900 29703.0 7 148.900 49505.0 12 //