ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008539
RECORD_TITLE: 1-ETHYL-1-METHYLHEPTYL 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$NAME: 1-ETHYL-1-METHYLHEPTYL ACETATE
CH$NAME: ETHYL HEXYL METHYL CARBINYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₄O₂
CH$EXACT_MASS: 200.17763
CH$SMILES: CCCCCCC(C)(CC)OC(C)=O
CH$IUPAC: InChI=1S/C12H24O2/c1-5-7-8-9-10-12(4,6-2)14-11(3)13/h5-10H2,1-4H3
CH$LINK: INCHIKEY HVPKIOUHNVOKDK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70945277

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$SPLASH: splash10-006x-9200000000-0c5ef419b07427da5489
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  15 2.09 21
  27 9.92 99
  28 1.48 15
  29 16.72 167
  39 6.08 61
  41 22.82 228
  42 4.9 49
  43 99.99 999
  44 2.16 22
  45 3.81 38
  53 2.18 22
  54 1.08 11
  55 27.64 276
  56 4.54 45
  57 12.81 128
  58 4.37 44
  59 1.53 15
  67 1.95 20
  68 1.27 13
  69 18.32 183
  70 23.75 238
  71 10.61 106
  72 1.36 14
  73 47.58 476
  74 2.01 20
  83 8.26 83
  84 1.53 15
  85 5.12 51
  111 7.7 77
  112 1.03 10
  115 31.22 312
  116 1.92 19
  129 36.15 362
  130 4.35 44
  140 5.53 55
  141 2.18 22
  143 5.86 59
  171 3.47 35
//