ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY SCIFVEGBPQFBFK-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$SPLASH: splash10-0zgr-5940000000-5e20f3af199150098b9d
PK$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
//