ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007170
RECORD_TITLE: HEXYL ISOBUTYRATE; 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$NAME: HEXYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C10H20O2/c1-4-5-6-7-8-12-10(11)9(2)3/h9H,4-8H2,1-3H3
CH$LINK: INCHIKEY CYHBDKTZDLSRMY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2047519

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$SPLASH: splash10-0006-9000000000-e382ce27aa50afae3581
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 17.15 172
  28 4.65 47
  29 12.29 123
  39 8.89 89
  40 1.83 18
  41 29.89 299
  42 16.44 164
  43 99.99 999
  44 3.54 35
  53 1.05 11
  54 1.02 10
  55 14.93 149
  56 24.25 243
  57 6.45 65
  69 8.85 89
  70 1.16 12
  71 41.18 412
  72 1.53 15
  73 1.54 15
  83 1.95 20
  84 21.78 218
  85 3.35 34
  88 1.27 13
  89 45.65 457
  90 1.84 18
  99 1.11 11
  101 1.39 14
  129 1.23 12
//