ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009198
RECORD_TITLE: TRANS-2-DECENOIC 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$NAME: TRANS-2-DECENOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₂
CH$EXACT_MASS: 170.13068
CH$SMILES: CCCCCCCC=CC(O)=O
CH$IUPAC: InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/b9-8+
CH$LINK: INCHIKEY WXBXVVIUZANZAU-CMDGGOBGSA-N
CH$LINK: COMPTOX DTXSID20904657

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$SPLASH: splash10-0006-9000000000-b161a74b3c916296d9a6
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
  15 1.53 15
  26 2.51 25
  27 42.29 423
  28 2.88 29
  29 56.27 563
  31 2.59 26
  38 1.65 17
  39 39.17 392
  40 6.37 64
  41 81.14 811
  42 21.11 211
  43 99.99 999
  44 2.16 22
  45 13.31 133
  50 1.06 11
  51 2.92 29
  52 1.81 18
  53 11.28 113
  54 8.99 90
  55 45.11 451
  56 42.67 427
  57 14.85 149
  58 1.95 20
  59 1.53 15
  60 4.27 43
  65 2.06 21
  66 1.78 18
  67 9.55 96
  68 15.93 159
  69 29.95 300
  70 15.76 158
  71 4.77 48
  73 56.25 563
  74 2.57 26
  77 1.66 17
  79 2.64 26
  80 1.18 12
  81 11.71 117
  82 6.13 61
  83 6.58 66
  84 19.86 199
  85 3.84 38
  86 17.22 172
  87 6.69 67
  88 1.28 13
  89 1.48 15
  94 1.06 11
  95 5.05 51
  96 6.78 68
  97 5.82 58
  98 13.16 132
  99 10.85 109
  100 5.87 59
  101 4.14 41
  102 2.49 25
  108 3.96 40
  109 3.48 35
  110 12.78 128
  111 3.89 39
  113 4.73 47
  114 5.53 55
  115 1.62 16
  123 5.92 59
  124 2.24 22
  127 2.99 30
  134 1.27 13
  141 1.09 11
  152 4.56 46
  153 1.36 14
//