ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009593
RECORD_TITLE: ETHYL 4-TERT-BUTYLBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 4-TERT-BUTYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈O₂
CH$EXACT_MASS: 206.13068
CH$SMILES: CCOC(=O)c(c1)ccc(c1)C(C)(C)C
CH$IUPAC: InChI=1S/C13H18O2/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4/h6-9H,5H2,1-4H3
CH$LINK: INCHIKEY LIQWHXBLFOERRD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60968894

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$SPLASH: splash10-0006-6910000000-083fb9f5476630afbebf
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  26 1.7 17
  27 12.8 128
  29 34.8 348
  30 0.1 1
  31 1.7 17
  39 9.4 94
  40 1 10
  41 2.87 29
  43 1.6 16
  45 2.4 24
  50 3.5 35
  51 0.77 8
  52 1.5 15
  53 2.1 21
  55 2.2 22
  57 0.38 4
  58 1.3 13
  63 3.1 31
  64 1 10
  65 0.55 6
  72 1.5 15
  74 1.1 11
  75 2 20
  76 0.38 4
  77 12.8 128
  78 3.5 35
  79 5.9 59
  89 0.35 4
  90 4.6 46
  91 26.3 263
  92 2.5 25
  93 0.1 1
  101 1 10
  102 3 30
  103 7.3 73
  104 0.21 2
  105 6.1 61
  107 3.9 39
  115 11.5 115
  116 0.3 3
  117 9.1 91
  118 11.3 113
  119 6.2 62
  131 0.18 2
  133 2 20
  135 5.9 59
  145 5.9 59
  146 0.34 3
  147 1.2 12
  161 15.9 159
  162 2.2 22
  163 1.41 14
  164 1.5 15
  178 1 10
  191 99.99 999
  192 1.44 14
  193 1.6 16
  206 22.2 222
  207 4 40
//