ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY KQJFKNAUYPTSIY-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$SPLASH: splash10-00di-8900000000-afc765ebee793480cc37
PK$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
//