ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009193
RECORD_TITLE: TRANS-2-OCTENOIC ACID; 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$NAME: TRANS-2-OCTENOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₂
CH$EXACT_MASS: 142.09938
CH$SMILES: CCCCCC=CC(O)=O
CH$IUPAC: InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+
CH$LINK: INCHIKEY CWMPPVPFLSZGCY-VOTSOKGWSA-N
CH$LINK: COMPTOX DTXSID50904721

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$SPLASH: splash10-0096-9000000000-801c8e0537a0c78cb64f
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  15 2.99 30
  16 1.53 15
  18 1.59 16
  26 4.11 41
  27 50.11 501
  28 6.01 60
  29 78.67 787
  30 2.13 21
  31 3.26 33
  38 3.5 35
  39 56.87 569
  40 9.1 91
  41 99.99 999
  42 41.8 418
  43 30.4 304
  44 2.64 26
  45 15.12 151
  46 1.06 11
  50 2.38 24
  51 5.38 54
  52 2.77 28
  53 13.86 139
  54 7.42 74
  55 63.98 640
  56 25.14 251
  57 23.14 231
  58 3.75 38
  59 1.61 16
  60 8.33 83
  61 1.56 16
  63 1.04 10
  65 3.19 32
  66 2.5 25
  67 15.07 151
  68 27.41 274
  69 12.44 124
  70 57.61 576
  71 10.17 102
  72 1.57 16
  73 87.12 871
  74 6.04 60
  77 1.85 19
  79 1.87 19
  80 1.54 15
  81 8.21 82
  82 31.8 318
  83 10.53 105
  84 2.35 24
  85 2.76 28
  86 28.4 284
  87 13.43 134
  88 1.61 16
  89 1.2 12
  91 1.16 12
  95 4.7 47
  96 16.16 162
  97 3.72 37
  99 26.4 264
  100 10.12 101
  101 2.69 27
  109 1.37 14
  110 1.75 18
  113 5.37 54
  114 1.82 18
  124 11.66 117
  125 2.35 24
  127 1.96 20
  142 1.23 12
//