ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006983
RECORD_TITLE: NERYL ISOBUTYRATE; 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$NAME: NERYL ISOBUTYRATE
CH$NAME: 3,7-DIMETHYL-2,6-OCTADIEN-1-YL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₄O₂
CH$EXACT_MASS: 224.17763
CH$SMILES: CC(C)=CCCC(C)=CCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9-
CH$LINK: INCHIKEY OGJYXQFXLSCKTP-LCYFTJDESA-N
CH$LINK: COMPTOX DTXSID30883828

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$SPLASH: splash10-00kf-9000000000-0700f13d233209c71240
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  27 12.44 124
  28 1.06 11
  29 4.49 45
  39 12.42 124
  40 3.13 31
  41 62.23 622
  42 4.63 46
  43 56.25 563
  44 1.99 20
  51 1.09 11
  52 1.26 13
  53 12.05 121
  54 1.53 15
  55 4.98 50
  57 1.23 12
  65 1.97 20
  66 1.34 13
  67 13.91 139
  68 47.64 476
  69 99.99 999
  70 4.74 47
  71 32.55 326
  77 2.53 25
  79 4.23 42
  80 22.66 227
  81 13.62 136
  82 1.61 16
  84 1.47 15
  85 1.04 10
  89 1.01 10
  91 2.49 25
  92 7.83 78
  93 48.52 485
  95 3.19 32
  105 1.6 16
  107 5.06 51
  108 1.67 17
  121 20.11 201
  122 2.04 20
  123 2.14 21
  136 15.8 158
  137 3.1 31
  154 1.93 19
  155 1.14 11
//