ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009196
RECORD_TITLE: TRANS-2-NONENOIC 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$NAME: TRANS-2-NONENOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₂
CH$EXACT_MASS: 156.11503
CH$SMILES: CCCCCCC=CC(O)=O
CH$IUPAC: InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/b8-7+
CH$LINK: INCHIKEY ADLXTJMPCFOTOO-BQYQJAHWSA-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$SPLASH: splash10-002f-9000000000-01a8f71e6d0af8fd1575
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  14 1.09 11
  15 2.58 26
  18 5.12 51
  26 3.67 37
  27 59.07 591
  28 5.24 52
  29 68.63 686
  30 1.9 19
  31 3.6 36
  32 1.04 10
  38 2.47 25
  39 54.98 550
  40 8.83 88
  41 91.29 913
  42 38.49 385
  43 99.99 999
  44 3.93 39
  45 13.88 139
  50 1.88 19
  51 4.22 42
  52 2.94 29
  53 14.55 146
  54 12.13 121
  55 61.08 611
  56 39.72 397
  57 10.1 101
  58 3.03 30
  59 2.1 21
  60 7.27 73
  63 1.13 11
  65 2.71 27
  66 2.25 23
  67 12.59 126
  68 16.92 169
  69 19.73 197
  70 14.14 141
  71 7.91 79
  72 1.01 10
  73 68.49 685
  74 3.22 32
  77 1.78 18
  79 2.46 25
  80 1.5 15
  81 13.59 136
  82 4.91 49
  83 4.9 49
  84 29.79 298
  85 3.65 37
  86 23.87 239
  87 8.73 87
  88 3.33 33
  94 6.04 60
  95 5.49 55
  96 26.03 260
  97 8.64 86
  98 1.32 13
  99 15.24 152
  100 6.54 65
  101 4.8 48
  109 5.12 51
  110 3.56 36
  113 4.86 49
  114 4.95 50
  115 1.44 14
  123 2.31 23
  127 3.28 33
  138 10.02 100
  139 2.28 23
//