ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008552
RECORD_TITLE: DIISOBUTYL CARBINYL ACETATE; 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$NAME: DIISOBUTYL CARBINYL ACETATE
CH$NAME: 1-(2-METHYLPROPYL)-3-METHYLBUTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O₂
CH$EXACT_MASS: 186.16198
CH$SMILES: CC(C)CC(CC(C)C)OC(C)=O
CH$IUPAC: InChI=1S/C11H22O2/c1-8(2)6-11(7-9(3)4)13-10(5)12/h8-9,11H,6-7H2,1-5H3
CH$LINK: INCHIKEY XLJDNKNPKUBQMX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6051516

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$SPLASH: splash10-0006-9100000000-6e37007092ffa9442bb0
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  15 1.37 14
  18 1.59 16
  27 3.92 39
  29 4.2 42
  39 3.03 30
  41 12.19 122
  42 2.34 23
  43 99.99 999
  44 3.1 31
  45 1.29 13
  55 6.58 66
  56 11.28 113
  57 6.76 68
  58 2.02 20
  59 1.16 12
  61 1.43 14
  67 1.3 13
  68 1.35 14
  69 20.43 204
  70 6.23 62
  71 2.77 28
  83 2.56 26
  84 1.18 12
  85 2.18 22
  86 1.23 12
  87 1 10
  98 1.27 13
  101 1.5 15
  111 1.84 18
  126 5.03 50
  129 16.58 166
  130 1.03 10
//