ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011141
RECORD_TITLE: 4-TERT-BUTYLBENZYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SAWADA M, THE INST. OF SCIENTIFIC AND INDUSTRIALRESEARCH OSAKA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4-TERT-BUTYLBENZYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₀O₂
CH$EXACT_MASS: 268.14633
CH$SMILES: O=C(OCc(c2)ccc(c2)C(C)(C)C)c(c1)cccc1
CH$IUPAC: InChI=1S/C18H20O2/c1-18(2,3)16-11-9-14(10-12-16)13-20-17(19)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3
CH$LINK: INCHIKEY GPHOLSWHPRJMDQ-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0pb9-3960000000-c1b20467c415ef8fd320
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  27 1.2 12
  29 2 20
  39 2.3 23
  40 2.7 27
  41 4.7 47
  50 1.3 13
  51 5.4 54
  53 1.1 11
  55 1.2 12
  57 3.7 37
  65 1.7 17
  77 22.1 221
  78 2.7 27
  79 1.4 14
  89 1.8 18
  91 10.1 101
  103 1.5 15
  104 1.8 18
  105 99.99 999
  106 8.2 82
  107 1.2 12
  115 5 50
  116 2.9 29
  117 10.9 109
  118 1.8 18
  119 2.7 27
  127 1.6 16
  128 1.4 14
  129 1.6 16
  131 10.9 109
  132 7.7 77
  133 1.7 17
  145 1.2 12
  147 13 130
  148 2 20
  163 1.7 17
  211 1.7 17
  253 70.6 706
  254 13.6 136
  255 1.6 16
  268 36.2 362
  269 7.3 73
//