ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007561
RECORD_TITLE: LINALYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: LINALYL ACETATE
CH$NAME: ACETIC ACID 3,7-DIMETHYL-1,6-OCTADIEN-3-OLESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O₂
CH$EXACT_MASS: 196.14633
CH$SMILES: CC(C)=CCCC(C)(C=C)OC(C)=O
CH$IUPAC: InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3
CH$LINK: CAS 16409-44-2
CH$LINK: INCHIKEY UWKAYLJWKGQEPM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7026946

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9100000000-c5a2a32609163f1d8a4d
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  41 11.66 117
  43 16.08 161
  55 8.6 86
  68 17.09 171
  69 37.6 376
  80 38.57 386
  81 13.17 132
  93 99.99 999
  95 25.47 255
  107 6.9 69
  121 24.9 249
  124 6.22 62
  136 3.16 32
//