ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009194
RECORD_TITLE: TRANS-3-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$NAME: TRANS-3-OCTENOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₂
CH$EXACT_MASS: 142.09938
CH$SMILES: CCCCC=CCC(O)=O
CH$IUPAC: InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10)/b6-5+
CH$LINK: INCHIKEY IWPOSDLLFZKGOW-AATRIKPKSA-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$SPLASH: splash10-054o-9000000000-c26685cdb9b9b928f340
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  15 2.99 30
  17 1.03 10
  26 3.99 40
  27 46.11 461
  28 7.15 72
  29 31.77 318
  31 3.35 34
  38 3.85 39
  39 41.13 411
  40 8.46 85
  41 99.99 999
  42 14.72 147
  43 51.29 513
  44 3.74 37
  45 22.5 225
  50 2.83 28
  51 6.37 64
  52 3.79 38
  53 15.51 155
  54 26.21 262
  55 90.53 905
  56 36.59 366
  57 25.3 253
  58 8.5 85
  59 2.88 29
  60 14.53 145
  61 3.02 30
  63 1.03 10
  65 3.34 33
  66 1.75 18
  67 35.9 359
  68 10.68 107
  69 12.01 120
  70 7 70
  71 18.98 190
  72 1.17 12
  73 10.8 108
  74 3.32 33
  77 2.88 29
  79 3.12 31
  80 2.23 22
  81 10.75 108
  82 74.69 747
  83 23.02 230
  84 3.07 31
  85 2.56 26
  86 2.95 30
  87 11.74 117
  91 1.92 19
  95 5.33 53
  96 18.41 184
  97 4.53 45
  99 5.68 57
  100 13.22 132
  101 3.53 35
  106 1.92 19
  109 2.16 22
  113 4.67 47
  124 24.51 245
  125 3.25 33
  142 3.73 37
//