MassBank Record: KO000796



 3-Fluorobenzoic 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: KO000796
RECORD_TITLE: 3-Fluorobenzoic 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 F032

CH$NAME: 3-Fluorobenzoate CH$NAME: 3-Fluorobenzoic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H5FO2 CH$EXACT_MASS: 140.02736 CH$SMILES: OC(=O)c(c1)cc(F)cc1 CH$IUPAC: InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) CH$LINK: CAS 455-38-9 CH$LINK: KEGG C02364 CH$LINK: NIKKAJI J47.806G CH$LINK: PUBCHEM SID:5409
AC$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$FOCUSED_ION: PRECURSOR_M/Z 139 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00dj-9000000000-8cdbab9b28966facde6f PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 48.900 49505.0 4 74.900 12490111.5 999 79.100 673268.0 54 95.000 10376248.0 830 //