ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007004
RECORD_TITLE: DECYL OCTANOATE; 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$NAME: DECYL OCTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₆O₂
CH$EXACT_MASS: 284.27153
CH$SMILES: CCCCCCCCCCOC(=O)CCCCCCC
CH$IUPAC: InChI=1S/C18H36O2/c1-3-5-7-9-10-11-13-15-17-20-18(19)16-14-12-8-6-4-2/h3-17H2,1-2H3
CH$LINK: INCHIKEY WVWRBUIUZMBLNI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8062319

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$SPLASH: splash10-052f-9200000000-1d3b38f495f09ffc8f6a
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  26 1.15 12
  27 15.64 156
  29 30.04 300
  31 1.05 11
  39 7.65 77
  41 73.25 733
  42 23.57 236
  43 98.06 981
  44 2.05 21
  45 1.69 17
  53 2.91 29
  54 5.68 57
  55 64.32 643
  56 41.39 414
  57 99.99 999
  58 4.25 43
  59 1.67 17
  60 8.65 87
  61 20.35 204
  67 6.99 70
  68 11.89 119
  69 34.96 350
  70 40.99 410
  71 21.27 213
  72 1.11 11
  73 10.94 109
  74 1.06 11
  81 2.95 30
  82 16.74 167
  83 37.06 371
  84 29.66 297
  85 18.36 184
  86 1.22 12
  87 4.91 49
  89 3.35 34
  96 5.82 58
  97 29.75 298
  98 19.62 196
  99 2.29 23
  101 6.57 66
  103 1.64 16
  109 1.95 20
  110 2.06 21
  111 18.68 187
  112 20.69 207
  113 1.96 20
  115 3.1 31
  116 2.75 28
  125 1.97 20
  127 37.37 374
  128 3.05 31
  129 1.27 13
  140 37.59 376
  141 3.75 38
  144 7.98 80
  145 91.27 913
  146 6.31 63
  185 2.36 24
//