ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010894
RECORD_TITLE: NONYL 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$NAME: NONYL OCTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₄O₂
CH$EXACT_MASS: 270.25588
CH$SMILES: CCCCCCCCCOC(=O)CCCCCCC
CH$IUPAC: InChI=1S/C17H34O2/c1-3-5-7-9-10-12-14-16-19-17(18)15-13-11-8-6-4-2/h3-16H2,1-2H3
CH$LINK: INCHIKEY HSGQXSBXGSRINJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50228474

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$SPLASH: splash10-0a6u-9200000000-51eca3edc1355a2cb56a
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  26 1 10
  27 18.3 183
  29 36.5 365
  30 1.1 11
  31 1 10
  39 8.4 84
  41 74.3 743
  42 25.5 255
  43 99.99 999
  44 2.1 21
  45 1.8 18
  53 2.9 29
  54 5.2 52
  55 64.9 649
  56 48.2 482
  57 91 910
  58 3.6 36
  59 1.6 16
  60 11.8 118
  61 24.4 244
  67 6.6 66
  68 8.3 83
  69 33.5 335
  70 39.4 394
  71 28.4 284
  72 1.5 15
  73 14.7 147
  74 1.2 12
  81 2.5 25
  82 15.8 158
  83 34.3 343
  84 35.3 353
  85 18.5 185
  86 1 10
  87 4.9 49
  89 3.6 36
  95 1 10
  96 4.4 44
  97 33.5 335
  98 29.8 298
  99 1.9 19
  101 7.5 75
  103 1.9 19
  109 2.1 21
  111 1.8 18
  115 3.3 33
  116 2.2 22
  125 1.5 15
  126 51 510
  127 42.2 422
  128 3.1 31
  129 1.1 11
  143 1.1 11
  144 7.5 75
  145 89.6 896
  146 6.8 68
  171 2.1 21
//