ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007190
RECORD_TITLE: OCTYL NONANOATE; 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$NAME: OCTYL NONANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₄O₂
CH$EXACT_MASS: 270.25588
CH$SMILES: CCCCCCCCC(=O)OCCCCCCCC
CH$IUPAC: InChI=1S/C17H34O2/c1-3-5-7-9-11-13-15-17(18)19-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
CH$LINK: INCHIKEY XMCQOINBECWLBL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40201074

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$SPLASH: splash10-0a4l-9200000000-373af0a79c07e96a0373
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  14 1.57 16
  27 18.24 182
  29 35.33 353
  30 1.08 11
  31 1.26 13
  39 8.46 85
  41 75.59 756
  42 27.49 275
  43 99.99 999
  44 1.46 15
  45 2.17 22
  53 3.57 36
  54 5.24 52
  55 60.03 600
  56 47.03 470
  57 95.96 960
  58 3.45 35
  59 1.96 20
  60 15.36 154
  61 37.37 374
  62 1.07 11
  67 6.18 62
  68 10.94 109
  69 41.33 413
  70 57.3 573
  71 58.55 586
  72 3.13 31
  73 22.2 222
  74 1.92 19
  79 1.17 12
  81 5.31 53
  82 13.16 132
  83 45.35 454
  84 47.51 475
  85 4.23 42
  87 5.65 57
  89 3.3 33
  95 1.51 15
  96 2.44 24
  97 8.89 89
  98 6.39 64
  101 3.71 37
  103 2.57 26
  110 1 10
  111 2.42 24
  112 73.14 731
  113 5.99 60
  115 7.24 72
  116 2.67 27
  123 1.25 13
  126 1.1 11
  127 1.46 15
  129 7.24 72
  130 1.09 11
  139 1.45 15
  141 40.33 403
  142 3.71 37
  145 1.83 18
  157 2.63 26
  158 8.86 89
  159 96.58 966
  160 8.13 81
  173 2.37 24
  185 1.33 13
  270 1.44 14
//