ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008356
RECORD_TITLE: BENZYL TRANS-2-HEXENOATE; 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$NAME: BENZYL TRANS-2-HEXENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₆O₂
CH$EXACT_MASS: 204.11503
CH$SMILES: CCCC=CC(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C13H16O2/c1-2-3-5-10-13(14)15-11-12-8-6-4-7-9-12/h4-10H,2-3,11H2,1H3/b10-5+
CH$LINK: INCHIKEY DLYYFHZPEQEPLG-BJMVGYQFSA-N

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$SPLASH: splash10-0007-9100000000-56b3b52ee5b9e6fd856b
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  14 7.24 72
  27 10.08 101
  38 1.98 20
  39 14.93 149
  41 15.21 152
  42 3.36 34
  43 1 10
  45 1.14 11
  50 2.01 20
  51 7.35 74
  52 2.86 29
  53 3.72 37
  54 1.35 14
  55 49.12 491
  56 2.54 25
  63 4.06 41
  65 13.56 136
  66 1.69 17
  67 1.78 18
  68 5.26 53
  69 3.71 37
  70 1.26 13
  77 8.5 85
  78 2.42 24
  79 8.76 88
  80 1.07 11
  81 1.93 19
  83 1.51 15
  89 5.43 54
  90 9.08 91
  91 99.99 999
  92 6.83 68
  97 80.26 803
  98 5.83 58
  105 3.16 32
  107 9.71 97
  108 4.19 42
  113 1.23 12
  115 3.68 37
  117 7.03 70
  118 1.31 13
  129 2.58 26
  131 1.82 18
  132 1.37 14
  133 4.08 41
  144 6.76 68
  145 1.54 15
  147 4.04 40
  148 6.75 68
  157 1.16 12
  158 1.31 13
  159 2.94 29
  161 5.79 58
  162 3.22 32
  204 5.38 54
  205 1.09 11
//