MassBank Record: JP000190



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

ACCESSION: JP000190
RECORD_TITLE: ORTHO BROMO 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$NAME: ORTHO BROMO ISOBUTYLBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H13BrO2 CH$EXACT_MASS: 256.00989 CH$SMILES: CC(C)COC(=O)c(c1)c(Br)ccc1 CH$IUPAC: InChI=1S/C11H13BrO2/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$SPLASH: splash10-0zgr-5940000000-5e20f3af199150098b9d PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 27 3.88 39 29 8.9 89 39 4.9 49 41 15.32 153 43 3.24 32 50 9.54 95 51 2.29 23 55 3.12 31 56 49.9 499 57 5.72 57 73 2.42 24 74 2.67 27 75 17.04 170 76 20.03 200 77 4.64 46 104 3.81 38 105 1.34 13 155 23.08 231 156 1.97 20 157 23.59 236 158 1.53 15 159 1.21 12 183 99.99 999 184 7.82 78 185 97.27 973 186 7.57 76 200 17.99 180 201 50.92 509 202 21.55 216 203 49.71 497 204 3.56 36 //