ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002622
RECORD_TITLE: 2,4-HEXADIENOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 2,4-HEXADIENOIC ACID METHYL ESTER
CH$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$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-02t9-9600000000-644e86a7cf81a828f04e
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  50 3.2 32
  51 5.7 57
  52 2.4 24
  53 0.54 5
  55 3.5 35
  59 8.1 81
  62 2.4 24
  63 0.4 4
  65 24.4 244
  66 35 350
  67 99.99 999
  68 0.84 8
  69 2.1 21
  72 3.2 32
  79 2.1 21
  81 0.21 2
  83 6.5 65
  93 2.1 21
  94 3.2 32
  95 8.15 82
  96 5.7 57
  97 2.4 24
  111 97.2 972
  112 0.62 6
  125 5.1 51
  126 52.9 529
  127 4 40
//