ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006419
RECORD_TITLE: CINNAMYL BUTYRATE; 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$NAME: CINNAMYL BUTYRATE
CH$NAME: 3-PHENYLALLYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₆O₂
CH$EXACT_MASS: 204.11503
CH$SMILES: CCCC(=O)OCC=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C13H16O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3/b10-6+
CH$LINK: INCHIKEY YZYPQKZWNXANRB-UXBLZVDNSA-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$SPLASH: splash10-00xu-9400000000-a47b62607d2f94daf7a3
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  27 11.51 115
  29 1.86 19
  39 9.82 98
  41 10.59 106
  42 1.83 18
  43 57.75 578
  44 1.7 17
  50 1.42 14
  51 5.39 54
  52 1.24 12
  55 1.65 17
  57 1.21 12
  62 1.03 10
  63 3.03 30
  65 3.15 32
  71 99.99 999
  72 3.28 33
  76 1.12 11
  77 8.78 88
  78 3.44 34
  79 1.87 19
  89 2.39 24
  91 11.44 114
  92 3.55 36
  102 2.38 24
  103 3.65 37
  104 1.59 16
  105 5.29 53
  115 36.67 367
  116 17.77 178
  117 31.81 318
  118 2.57 26
  131 1.06 11
  133 11.5 115
  134 7.54 75
  204 9.93 99
  205 1.14 11
//