ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006834
RECORD_TITLE: BENZYL CROTONATE; 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$NAME: BENZYL CROTONATE
CH$NAME: BENZYL TRANS-2-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂O₂
CH$EXACT_MASS: 176.08373
CH$SMILES: CC=CC(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C11H12O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h2-8H,9H2,1H3/b6-2+
CH$LINK: INCHIKEY NCPTYZLUYHXITE-QHHAFSJGSA-N
CH$LINK: COMPTOX DTXSID10887884

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$SPLASH: splash10-014l-9200000000-f28cdf35b1fb81953b15
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  15 1.06 11
  26 1.2 12
  27 2.18 22
  29 1.52 15
  38 2.98 30
  39 30.8 308
  41 27.69 277
  42 2.18 22
  50 3.95 40
  51 12.34 123
  52 2.78 28
  53 1.15 12
  62 1.14 11
  63 4.74 47
  64 1.67 17
  65 16.84 168
  66 1.01 10
  68 1.2 12
  69 99.99 999
  70 5.25 53
  76 1.05 11
  77 15.89 159
  78 3.12 31
  79 14.3 143
  80 1.04 10
  89 5.58 56
  90 12.28 123
  91 77.15 772
  92 4.87 49
  105 5.11 51
  106 1.56 16
  107 16.13 161
  108 4.98 50
  115 1.22 12
  117 2.08 21
  129 1.31 13
  130 6.3 63
  131 21.71 217
  132 2.13 21
  158 7.02 70
  161 1.65 17
  176 13.53 135
  177 1.4 14
//