ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009242
RECORD_TITLE: 3-METHYLBUTYL 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$NAME: 3-METHYLBUTYL 2,4-HEXADIENOATE
CH$NAME: ISOAMYL SORBATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H18O2
CH$EXACT_MASS: 182.13068
CH$SMILES: CC=CC=CC(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C11H18O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h4-7,10H,8-9H2,1-3H3/b5-4+,7-6+
CH$LINK: INCHIKEY QEBWFKHQSLXUSK-YTXTXJHMSA-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$SPLASH: splash10-0002-9100000000-7b10186e2c45f68a0fee
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  27 10.3 103
  29 7.2 72
  38 1.3 13
  39 2.35 24
  41 43.1 431
  42 6.9 69
  43 21.1 211
  51 0.22 2
  52 1.6 16
  53 2.1 21
  55 15.2 152
  56 0.12 1
  57 2 20
  63 1.2 12
  65 9.2 92
  66 0.92 9
  67 51.3 513
  68 6.8 68
  69 2.9 29
  70 3.26 33
  71 4.2 42
  81 1.1 11
  84 1.5 15
  94 0.12 1
  95 99.99 999
  96 7.5 75
  97 41.5 415
  98 0.19 2
  111 1.7 17
  112 22.1 221
  113 38.4 384
  114 0.24 2
  128 1 10
  182 4.5 45
//
