ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY NQPBBLSKHPOXEU-UHFFFAOYSA-N

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
//