MassBank Record: KO000785



 o-Fluorobenzoic 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: KO000785
RECORD_TITLE: o-Fluorobenzoic 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 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 139 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-9000000000-0e484df3c9d53f9dbf78 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 44.900 9901.0 1 74.900 13861400.0 81 78.900 99010.0 1 93.000 351485.5 2 94.100 74257.5 1 95.100 171569478.5 999 108.400 19802.0 1 138.900 792080.0 5 //