ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001529
RECORD_TITLE: OCTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: OCTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
CH$LINK: INCHIKEY YLYBTZIQSIBWLI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8044202

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-052f-9000000000-ad8f2fb68399e500c0c0
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  15 5.66 57
  27 11.55 116
  28 3.3 33
  29 17.29 173
  31 1.65 17
  39 7.23 72
  40 1.57 16
  41 34.35 344
  42 23.58 236
  43 99.99 999
  44 3.14 31
  53 1.97 20
  54 3.93 39
  55 36.94 369
  56 46.77 468
  57 16.51 165
  58 3.69 37
  61 36 360
  62 1.18 12
  67 3.3 33
  68 9.04 90
  69 30.5 305
  70 43.86 439
  71 7.78 78
  73 7.07 71
  81 1.18 12
  82 8.72 87
  83 28.85 289
  84 34.98 350
  85 2.75 28
  87 1.41 14
  97 3.14 31
  98 2.51 25
  101 1.73 17
  111 1.57 16
  112 23.34 233
  113 2.36 24
  115 3.77 38
//