ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008365
RECORD_TITLE: TRANS-ETHYL-LINALYL ACETATE; 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$NAME: TRANS-ETHYL-LINALYL ACETATE
CH$NAME: 1,5-DIMETHYL-1-VINYL-(E)-4-HEPTENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₂O₂
CH$EXACT_MASS: 210.16198
CH$SMILES: CCC(C)=C([H])CCC(C)(C=C)OC(C)=O
CH$IUPAC: InChI=1S/C13H22O2/c1-6-11(3)9-8-10-13(5,7-2)15-12(4)14/h7,9H,2,6,8,10H2,1,3-5H3/b11-9+
CH$LINK: INCHIKEY IVSZEHYDOLAREK-PKNBQFBNSA-N

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$SPLASH: splash10-0006-9100000000-673e6d4b2c96c5938675
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  15 1.95 20
  27 8.02 80
  29 8.86 89
  39 8.25 83
  40 2.29 23
  41 27.57 276
  42 3.23 32
  43 66.53 665
  44 1.64 16
  45 1.25 13
  51 1.39 14
  52 1.52 15
  53 8.16 82
  54 2.13 21
  55 48.59 486
  56 2.73 27
  57 4.72 47
  65 1.95 20
  66 1.3 13
  67 14.85 149
  68 6.2 62
  69 4.52 45
  70 1.16 12
  71 14.67 147
  72 2.29 23
  77 4.64 46
  79 12.6 126
  80 44.73 447
  81 13.06 131
  82 10.16 102
  83 10.88 109
  84 1.58 16
  85 1.17 12
  91 4.77 48
  92 14.34 143
  93 99.99 999
  94 12.25 123
  95 8.82 88
  96 1.88 19
  97 2.37 24
  105 3.35 34
  106 1.36 14
  107 8.12 81
  108 2.01 20
  109 1.66 17
  113 1.38 14
  119 1.28 13
  121 36.27 363
  122 4.05 41
  123 1.72 17
  135 6.27 63
  150 7.83 78
  151 1.88 19
  153 1.14 11
//