MassBank Record: JP000188



 ORTHO FLUORO ISOBUTYLBENZOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000188
RECORD_TITLE: ORTHO FLUORO ISOBUTYLBENZOATE; 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$NAME: ORTHO FLUORO ISOBUTYLBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H13FO2 CH$EXACT_MASS: 196.08996 CH$SMILES: CC(C)COC(=O)c(c1)c(F)ccc1 CH$IUPAC: InChI=1S/C11H13FO2/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3
AC$INSTRUMENT: HITACHI RMU-7M AC$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$SPLASH: splash10-00di-8900000000-afc765ebee793480cc37 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 27 5.44 54 29 7.4 74 39 6.42 64 41 14.8 148 43 2.85 29 50 2.76 28 51 1.96 20 55 2.05 21 56 31.19 312 57 3.57 36 68 1.07 11 69 2.67 27 73 1.69 17 74 1.52 15 75 17.47 175 76 1.78 18 94 2.05 21 95 30.04 300 96 2.5 25 97 1.6 16 123 99.99 999 124 7.31 73 140 1.25 13 141 30.57 306 142 1.96 20 //