ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007155
RECORD_TITLE: CUMINYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: CUMINYL ACETATE
CH$NAME: P-ISOPROPYLBENZYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₂
CH$EXACT_MASS: 192.11503
CH$SMILES: CC(=O)OCc(c1)ccc(C(C)C)c1
CH$IUPAC: InChI=1S/C12H16O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h4-7,9H,8H2,1-3H3
CH$LINK: INCHIKEY QBCRVYRADYXNOW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0052259

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-052f-4900000000-b17cacf429d93acca805
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  15 4.42 44
  27 5.12 51
  29 1.52 15
  39 7.08 71
  41 8.59 86
  42 1.52 15
  43 89.03 890
  44 1.88 19
  50 2.13 21
  51 5.76 58
  52 1.62 16
  53 2.03 20
  57 1.02 10
  58 1.19 12
  63 3.52 35
  64 1.53 15
  65 6 60
  71 3.9 39
  75 1.29 13
  76 1.49 15
  77 14.75 148
  78 4.98 50
  79 16.58 166
  80 1.29 13
  89 4.55 46
  90 2.37 24
  91 34.71 347
  92 3.27 33
  93 3.38 34
  102 2.25 23
  103 6.83 68
  104 4.55 46
  105 20.64 206
  106 2.04 20
  107 99.99 999
  108 6.11 61
  115 18.54 185
  116 5.01 50
  117 71.92 719
  118 16.36 164
  119 6.88 69
  128 1.02 10
  129 1.37 14
  131 10.37 104
  132 19.65 197
  133 33.27 333
  134 4.63 46
  135 11.74 117
  136 1.77 18
  149 17.03 170
  150 40.58 406
  151 4.05 41
  177 50.01 500
  178 4.92 49
  192 56.1 561
  193 6.44 64
//