ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005929
RECORD_TITLE: HEXYL 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$NAME: HEXYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3
CH$LINK: INCHIKEY AOGQPLXWSUTHQB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022006

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0ab9-9000000000-d6e7e57e88fb673af069
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  28 1.18 12
  29 3.04 30
  41 13.51 135
  42 21.45 215
  43 46.63 466
  44 2.36 24
  45 1.01 10
  54 5.24 52
  55 38.34 383
  56 99.99 999
  57 23.99 240
  58 6.76 68
  59 1.52 15
  61 54.22 542
  62 1.52 15
  67 1.01 10
  68 12.16 122
  69 47.64 476
  70 97.3 973
  71 6.05 61
  72 1.01 10
  73 15.2 152
  74 1.35 14
  81 1.18 12
  82 1.18 12
  83 10.3 103
  84 1.18 12
  85 1.18 12
  86 1.52 15
  87 2.7 27
  88 1.01 10
  96 1.52 15
  97 5.24 52
  98 51.35 514
  99 4.39 44
  100 1.01 10
  101 2.87 29
  102 1.01 10
  116 4.56 46
//