MassBank Record: KO000781



 4-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: KO000781
RECORD_TITLE: 4-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 F023

CH$NAME: 4-Fluorobenzoate CH$NAME: 4-Fluorobenzoic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H5FO2 CH$EXACT_MASS: 140.02736 CH$SMILES: OC(=O)c(c1)ccc(F)c1 CH$IUPAC: InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) CH$LINK: CAS 456-22-4 CH$LINK: KEGG C02371 CH$LINK: NIKKAJI J43.545G CH$LINK: PUBCHEM SID:5413
AC$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$SPLASH: splash10-0002-9000000000-7068b4e90220c9fbafae PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 75.200 79208.0 10 76.900 54455.5 7 79.000 1356437.0 177 95.000 7653473.0 999 138.900 24752.5 3 //