ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008042
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$NAME: NERYL ACETATE
CH$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$LINK: INCHIKEY HIGQPQRQIQDZMP-FLIBITNWSA-N
CH$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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014l-9100000000-867992beb9e7c804a69d
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  41 24.46 245
  42 1.15 12
  43 24.89 249
  45 1.44 14
  53 1.73 17
  55 2.01 20
  57 1.01 10
  60 1.44 14
  67 7.48 75
  68 49.06 491
  69 99.99 999
  70 5.76 58
  71 1.44 14
  77 1.58 16
  79 4.03 40
  80 22.45 225
  81 8.78 88
  82 1.73 17
  83 1.15 12
  84 6.04 60
  85 4.6 46
  86 1.15 12
  91 2.01 20
  92 10.07 101
  93 48.92 489
  94 7.77 78
  95 3.31 33
  97 1.44 14
  105 1.73 17
  107 5.76 58
  108 2.01 20
  109 1.15 12
  111 1.01 10
  121 18.27 183
  122 2.01 20
  123 2.88 29
  127 1.44 14
  136 23.16 232
  137 3.74 37
  138 1.15 12
  154 2.73 27
//