ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006818
RECORD_TITLE: 3-METHYL-3-OCTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: 3-METHYL-3-OCTYL ACETATE
CH$NAME: 1-ETHYL-1-METHYLHEXYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22O2
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCC(C)(CC)OC(C)=O
CH$IUPAC: InChI=1S/C11H22O2/c1-5-7-8-9-11(4,6-2)13-10(3)12/h5-9H2,1-4H3
CH$LINK: INCHIKEY PNBFEBGIWFNZLU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40867199
AC$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: splash10-006x-9200000000-84776d7d98f915e39a7f
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  15 2.72 27
  27 9.4 94
  28 1.96 20
  29 17.17 172
  39 7.01 70
  41 21.06 211
  42 4.03 40
  43 99.99 999
  44 2.34 23
  45 4.12 41
  53 2.31 23
  54 1.18 12
  55 31.46 315
  56 3.72 37
  57 9.7 97
  58 3.51 35
  59 2.33 23
  67 1.42 14
  69 7.83 78
  70 21.6 216
  71 13.37 134
  72 1.59 16
  73 50.07 501
  74 1.95 20
  83 6.17 62
  84 1.23 12
  85 3.64 36
  96 1.16 12
  97 9.82 98
  98 1.5 15
  115 60.36 604
  116 3.43 34
  126 7.08 71
  127 2.44 24
  129 7.27 73
  130 1.74 17
  157 3.81 38
//
