ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005163
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$SPLASH: splash10-0a5c-9000000000-6b68e54666d458c23e6b
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  29 1.62 16
  41 8.55 86
  42 30.9 309
  43 91.95 920
  44 2.24 22
  54 2.62 26
  55 34.21 342
  56 99.99 999
  57 5.86 59
  58 6.79 68
  59 1.49 15
  61 54.62 546
  62 1.37 14
  68 1.12 11
  69 30.46 305
  70 2.43 24
  71 1.75 18
  72 1.12 11
  73 16.23 162
  82 1.74 17
  83 7.05 71
  84 68.16 682
  85 4.99 50
  86 1.37 14
  87 2.06 21
  97 1.43 14
  99 1.06 11
  101 2.68 27
//