ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007003
RECORD_TITLE: OCTYL 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$NAME: OCTYL OCTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₂O₂
CH$EXACT_MASS: 256.24023
CH$SMILES: CCCCCCCCOC(=O)CCCCCCC
CH$IUPAC: InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3
CH$LINK: INCHIKEY DJNTZVRUYMHBTD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3062318

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$SPLASH: splash10-0a4l-9200000000-824d947af760517f1948
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  27 18.75 188
  29 35.41 354
  31 1.16 12
  39 11.14 111
  41 71.7 717
  42 26.74 267
  43 81.34 813
  44 1.71 17
  45 1.66 17
  53 2.94 29
  54 4.14 41
  55 53.2 532
  56 41.55 416
  57 99.99 999
  58 3.62 36
  59 1.8 18
  60 13.67 137
  61 28.69 287
  67 5.25 53
  68 9.83 98
  69 29.78 298
  70 48.15 482
  71 30.59 306
  72 1.48 15
  73 15.31 153
  74 1.21 12
  81 2.09 21
  82 13.81 138
  83 40.86 409
  84 41.71 417
  85 4.48 45
  87 4.94 49
  89 3.7 37
  97 5.77 58
  98 3.4 34
  101 8.17 82
  103 1.72 17
  109 1.86 19
  111 1.45 15
  112 53.58 536
  113 4.25 43
  115 2.95 30
  116 2.17 22
  125 1.33 13
  127 39.21 392
  128 2.92 29
  129 1.24 12
  144 6.85 69
  145 83.68 837
  146 5.79 58
  157 1.81 18
//