ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000195
RECORD_TITLE: PARA IODO 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$NAME: PARA IODO ISOBUTYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₃IO₂
CH$EXACT_MASS: 303.99602
CH$SMILES: CC(C)COC(=O)c(c1)ccc(I)c1
CH$IUPAC: InChI=1S/C11H13IO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3
CH$LINK: INCHIKEY RIZYPRZSPFNPBR-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$SPLASH: splash10-000t-5090000000-318e7e18cdc615c0197d
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 3.47 35
  29 10.2 102
  39 4.42 44
  41 15.24 152
  43 3.4 34
  50 18.57 186
  51 2.38 24
  55 3.4 34
  56 32.93 329
  57 5.44 54
  65 4.08 41
  73 1.9 19
  74 4.63 46
  75 6.53 65
  76 42.86 429
  77 4.08 41
  78 3.06 31
  104 11.56 116
  105 2.24 22
  121 4.48 45
  203 21.09 211
  204 1.36 14
  231 99.99 999
  232 8.1 81
  248 99.46 995
  249 22.45 225
  250 1.5 15
  304 3.33 33
//