ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009236
RECORD_TITLE: METHYL 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$NAME: METHYL 2,4-HEXADIENOATE
CH$NAME: METHYL SORBATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₀O₂
CH$EXACT_MASS: 126.06808
CH$SMILES: CC=CC=CC(=O)OC
CH$IUPAC: InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+
CH$LINK: INCHIKEY KWKVAGQCDSHWFK-VNKDHWASSA-N
CH$LINK: COMPTOX DTXSID30862370

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$SPLASH: splash10-014i-9100000000-6c402f3f828ad7813f02
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  15 15.6 156
  26 3 30
  27 13.4 134
  29 0.94 9
  30 1.8 18
  31 2.4 24
  37 2.5 25
  38 1.03 10
  39 63.9 639
  41 63.8 638
  42 2.6 26
  43 0.45 5
  45 1.1 11
  50 3.8 38
  51 9.1 91
  52 0.3 3
  53 5.3 53
  54 1 10
  55 9.6 96
  59 0.89 9
  61 1.4 14
  62 2.7 27
  63 7.1 71
  64 0.15 2
  65 23.8 238
  66 32.8 328
  67 99.99 999
  68 0.8 8
  69 1.4 14
  72 2.7 27
  79 2 20
  81 0.19 2
  83 5.3 53
  85 1 10
  93 1.8 18
  94 0.23 2
  95 63.6 636
  96 4.6 46
  97 2.1 21
  111 7.79 78
  112 5.5 55
  125 3.6 36
  126 43.2 432
  127 3 30
//