ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006407
RECORD_TITLE: LINALYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: LINALYL BUTYRATE
CH$NAME: 1,5-DIMETHYL-1-VINYL-4-HEXENYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₄O₂
CH$EXACT_MASS: 224.17763
CH$SMILES: CCCC(=O)OC(C)(C=C)CCC=C(C)C
CH$IUPAC: InChI=1S/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3
CH$LINK: INCHIKEY FHLGUOHLUFIAAA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20861635

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$SPLASH: splash10-0006-9100000000-17b123e13e809fe56da9
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  15 1.13 11
  17 7.68 77
  27 12.8 128
  28 1.6 16
  29 6.45 65
  39 9.94 99
  40 2.76 28
  41 49.65 497
  42 4.16 42
  43 56.33 563
  44 1.95 20
  45 1.05 11
  51 1.82 18
  52 1.05 11
  53 9.5 95
  54 1.61 16
  55 12.69 127
  57 1.05 11
  65 1.76 18
  66 1.26 13
  67 9.96 100
  68 11.46 115
  69 35.37 354
  70 2.31 23
  71 45.48 455
  72 1.86 19
  77 2.75 28
  79 7.23 72
  80 43.05 431
  81 15.1 151
  82 1.87 19
  83 2.87 29
  91 5.82 58
  92 14.13 141
  93 99.99 999
  95 3.28 33
  105 2.86 29
  106 1.22 12
  107 8.31 83
  108 1.72 17
  109 1.71 17
  121 33.14 331
  122 2.64 26
  136 8.94 89
  137 3.43 34
  154 1.09 11
//