ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006843
RECORD_TITLE: BENZYL TIGLATE; 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$NAME: BENZYL TIGLATE
CH$NAME: BENZYL 2-METHYL-2-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₄O₂
CH$EXACT_MASS: 190.09938
CH$SMILES: CC=C(C)C(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C12H14O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3/b10-3+
CH$LINK: INCHIKEY QRGSTISKDZCDHV-XCVCLJGOSA-N
CH$LINK: COMPTOX DTXSID3047130

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$SPLASH: splash10-000x-9100000000-3d3ab2aee6e33e3a2795
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  27 10.02 100
  29 9.27 93
  38 1.25 13
  39 15.2 152
  41 2.25 23
  43 1.38 14
  50 3.31 33
  51 8.88 89
  52 2.37 24
  53 6.02 60
  54 2.52 25
  55 35.12 351
  56 2.37 24
  63 4.43 44
  64 1.16 12
  65 16.68 167
  69 1.12 11
  77 10.25 103
  78 1.9 19
  79 6.82 68
  83 55.57 556
  84 5.8 58
  89 4.98 50
  90 5.91 59
  91 99.99 999
  92 8.68 87
  105 2.89 29
  106 1.47 15
  107 8.38 84
  108 1.35 14
  117 1.22 12
  129 2.74 27
  131 1.57 16
  144 1.42 14
  145 21.71 217
  146 2.19 22
  147 1.34 13
  157 1.17 12
  172 14.69 147
  173 1.86 19
  190 7.62 76
//