ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009240
RECORD_TITLE: BUTYL 2,4-HEXADIENOATE; 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$NAME: BUTYL 2,4-HEXADIENOATE
CH$NAME: BUTYL SORBATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆O₂
CH$EXACT_MASS: 168.11503
CH$SMILES: CC=CC=CC(=O)OCCCC
CH$IUPAC: InChI=1S/C10H16O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3,5,7-8H,4,6,9H2,1-2H3/b5-3+,8-7+
CH$LINK: INCHIKEY SCVZKPKDMFXESQ-VSAQMIDASA-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$SPLASH: splash10-014m-9100000000-bc5aa2167740ca287051
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  14 2.4 24
  15 1.3 13
  26 2.4 24
  27 2.22 22
  29 20.5 205
  31 1.1 11
  38 2.7 27
  39 4.38 44
  41 74.7 747
  42 3.1 31
  43 8.1 81
  50 0.15 2
  51 3.5 35
  52 2.4 24
  53 2.6 26
  55 0.75 8
  56 6.9 69
  57 6.3 63
  63 1.8 18
  65 1.35 14
  66 18.2 182
  67 89.5 895
  68 10.7 107
  69 0.24 2
  71 1.1 11
  81 2.1 21
  83 1.2 12
  84 0.34 3
  94 1.8 18
  95 99.99 999
  96 7.8 78
  97 8.77 88
  98 4.5 45
  111 3.5 35
  112 41.8 418
  113 1.41 14
  114 7.6 76
  153 1.2 12
  168 11.8 118
  169 1.4 14
//