ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006381
RECORD_TITLE: THYMYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: THYMYL ACETATE
CH$NAME: 2-ISOPROPYL-5-METHYLPHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₂
CH$EXACT_MASS: 192.11503
CH$SMILES: CC(=O)Oc(c1)c(ccc(C)1)C(C)C
CH$IUPAC: InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3
CH$LINK: INCHIKEY WFMIUXMJJBBOGJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40862124

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$SPLASH: splash10-000i-5900000000-c9c451f1aab6c0104b9e
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  15 5.75 58
  18 2.89 29
  27 3.96 40
  28 1.44 14
  39 6.75 68
  41 5.52 55
  42 1.3 13
  43 25.81 258
  51 3.6 36
  52 1.35 14
  53 3.27 33
  55 1.24 12
  63 2.01 20
  65 4.86 49
  77 9.07 91
  78 3.59 36
  79 4.73 47
  89 1.16 12
  91 16.35 164
  92 1.34 13
  103 1.9 19
  105 5.87 59
  107 3.09 31
  109 1.37 14
  115 6.44 64
  116 1.98 20
  117 3.36 34
  121 3.61 36
  133 1.74 17
  134 3 30
  135 99.99 999
  136 9.81 98
  149 2.01 20
  150 33.91 339
  151 3.86 39
  192 7.75 78
//