ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008507
RECORD_TITLE: OCTYL PHENYLACETATE; 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$NAME: OCTYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₄O₂
CH$EXACT_MASS: 248.17763
CH$SMILES: CCCCCCCCOC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C16H24O2/c1-2-3-4-5-6-10-13-18-16(17)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3
CH$LINK: INCHIKEY VGYPAVUJUMQTGE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4059542

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$SPLASH: splash10-0006-9100000000-c9aa0ac707d694f5661f
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  27 9.74 97
  29 17.22 172
  39 9.62 96
  41 37.35 374
  42 9.86 99
  43 60.05 601
  51 2.15 22
  53 1.56 16
  54 1.04 10
  55 16.23 162
  56 7.2 72
  57 62.68 627
  58 2.23 22
  63 2.55 26
  64 1.05 11
  65 15.54 155
  67 1.03 10
  68 1.26 13
  69 7.88 79
  70 4.78 48
  71 40.9 409
  72 1.74 17
  77 1 10
  83 3.27 33
  84 2.9 29
  89 3.3 33
  90 3.29 33
  91 99.99 999
  92 22.8 228
  93 1.31 13
  112 3.88 39
  118 1 10
  119 2.26 23
  136 35.38 354
  137 16.82 168
  138 1.15 12
  157 13.86 139
  158 1.15 12
//