ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007635
RECORD_TITLE: NERYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: NERYL ACETATE
CH$NAME: 3,7-DIMETHYL-2,6-OCTADIEN-1-OL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O₂
CH$EXACT_MASS: 196.14633
CH$SMILES: CC(C)=CCCC(C)=CCOC(C)=O
CH$IUPAC: InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-
CH$LINK: CAS 16409-44-2
CH$LINK: INCHIKEY HIGQPQRQIQDZMP-FLIBITNWSA-N
CH$LINK: COMPTOX DTXSID2047068

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 15 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00ko-9500000000-cdf126f2c6e288b8761f
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  41 2.3 23
  43 13.59 136
  67 2.08 21
  68 47.15 472
  69 67.63 676
  70 4.38 44
  71 1.1 11
  79 2.38 24
  80 53.95 540
  81 12.85 129
  82 2.08 21
  83 1.37 14
  84 7.64 76
  85 4.11 41
  86 1.4 14
  92 21.58 216
  93 75.42 754
  94 16.47 165
  95 4.25 43
  96 6.27 63
  97 2.33 23
  98 3.7 37
  101 1.23 12
  107 11.56 116
  108 6.33 63
  109 3.86 39
  111 1.89 19
  121 39.46 395
  122 4.27 43
  123 4.33 43
  126 1.12 11
  127 2.74 27
  135 1.01 10
  136 99.99 999
  137 13.86 139
  138 2.63 26
  139 1.48 15
  140 1.95 20
  154 8.27 83
  196 3.84 38
  197 1.07 11
//