MassBank Record: KO000788



 o-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000788
RECORD_TITLE: o-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:50 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 F024

CH$NAME: o-Fluorobenzoate CH$NAME: 2-Fluorobenzoic acid CH$NAME: 2-Fluorobenzoate CH$NAME: o-Fluorobenzoic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H5FO2 CH$EXACT_MASS: 140.02736 CH$SMILES: OC(=O)c(c1)c(F)ccc1 CH$IUPAC: InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10) CH$LINK: CAS 445-29-4 CH$LINK: KEGG C02359 CH$LINK: NIKKAJI J26.901H CH$LINK: PUBCHEM SID:5405
AC$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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 139 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-9000000000-6db57a61066a3545a2cb PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 49.000 613862.0 44 72.900 24752.5 2 75.200 13801994.0 999 78.900 84158.5 6 95.100 103960.5 8 //