MassBank Record: JP000194



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

ACCESSION: JP000194
RECORD_TITLE: PARA 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$NAME: PARA BROMO ISOBUTYLBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H13BrO2 CH$EXACT_MASS: 256.00989 CH$SMILES: CC(C)COC(=O)c(c1)ccc(Br)c1 CH$IUPAC: InChI=1S/C11H13BrO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/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$SPLASH: splash10-0a4i-9730000000-1685e4bc8a730ea96fa4 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 27 3.7 37 29 8.33 83 39 3.62 36 41 14.49 145 43 3.16 32 44 1.16 12 50 9.95 100 51 1.77 18 55 3.47 35 56 99.99 999 57 7.63 76 65 1.16 12 73 2.31 23 74 2.93 29 75 15.34 153 76 15.81 158 77 3.01 30 104 1.93 19 155 15.88 159 156 1.23 12 157 15.81 158 183 62.07 621 184 4.78 48 185 60.14 601 186 4.63 46 200 11.57 116 201 21.43 214 202 13.03 130 203 20.89 209 204 1.54 15 //