ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008397
RECORD_TITLE: 2,6,8-TRIMETHYL-4-NONYL 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$NAME: 2,6,8-TRIMETHYL-4-NONYL ACETATE
CH$NAME: 1-ISOBUTYL-3,5-DIMETHYLHEXYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H28O2
CH$EXACT_MASS: 228.20893
CH$SMILES: CC(C)CC(C)CC(CC(C)C)OC(C)=O
CH$IUPAC: InChI=1S/C14H28O2/c1-10(2)7-12(5)9-14(8-11(3)4)16-13(6)15/h10-12,14H,7-9H2,1-6H3
CH$LINK: INCHIKEY HPFLRIHGHUFYEG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50992229
AC$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-f54225006a3f61edec88
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  27 5.34 53
  29 5.95 60
  39 3.35 34
  41 18.78 188
  42 2.85 29
  43 99.99 999
  44 2.98 30
  53 1.22 12
  55 12.63 126
  56 9.68 97
  57 15.43 154
  58 3.61 36
  59 1.43 14
  61 1.41 14
  67 1.85 19
  68 1.41 14
  69 30.27 303
  70 7.32 73
  71 3.82 38
  82 1.47 15
  83 19.57 196
  84 11.91 119
  85 5.23 52
  86 1.46 15
  97 4.17 42
  98 1.5 15
  110 2.79 28
  111 20.54 205
  112 9.9 99
  129 6.34 63
  168 2.61 26
//
