MassBank Record: JP001005



 META-FLUOROBENZOIC ACID ETHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001005
RECORD_TITLE: META-FLUOROBENZOIC ACID ETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: META-FLUOROBENZOIC ACID ETHYL ESTER CH$NAME: ETHYL META-FLUOROBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H9FO2 CH$EXACT_MASS: 168.05866 CH$SMILES: CCOC(=O)c(c1)cc(F)cc1 CH$IUPAC: InChI=1S/C9H9FO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-6900000000-9a5de1c782e7fc6a8261 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 27 6.62 66 28 2.77 28 29 9.8 98 45 7.76 78 50 3.88 39 51 2.48 25 68 1.34 13 69 2.86 29 74 1.65 17 75 15.78 158 76 1.27 13 94 2.67 27 95 48.54 485 96 4.71 47 123 99.99 999 124 9.16 92 140 33.84 338 141 2.54 25 150 2.04 20 153 1.78 18 168 10.31 103 169 0.76 8 //