ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006398
RECORD_TITLE: HEXYL PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: HEXYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCCCOC(=O)CC
CH$IUPAC: InChI=1S/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY GOKKOFHHJFGZHW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5047582

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$SPLASH: splash10-0a6u-9000000000-1dbab7526fdc13ab4997
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  26 1.85 19
  27 24.64 246
  28 7.97 80
  29 55.23 552
  30 1.26 13
  31 2.61 26
  39 8.35 84
  40 1.64 16
  41 25.1 251
  42 20.75 208
  43 42.69 427
  44 1.81 18
  53 1.47 15
  54 1.75 18
  55 22.4 224
  56 46.7 467
  57 99.99 999
  58 3.12 31
  69 14.86 149
  72 1.38 14
  74 1.94 19
  75 42.92 429
  76 1.41 14
  83 3.15 32
  84 27.22 272
  85 3.47 35
  87 4.78 48
  99 1.28 13
//