ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008364
RECORD_TITLE: CIS-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$NAME: CIS-ETHYL-LINALYL ACETATE
CH$NAME: 1,5-DIMETHYL-1-VINYL-(Z)-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-LUAWRHEFSA-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$SPLASH: splash10-0006-9100000000-1c427eb56d970b544a34
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  15 2.23 22
  27 9.26 93
  29 11.82 118
  39 10.01 100
  40 2.65 27
  41 23.97 240
  42 3.21 32
  43 66.55 666
  44 2.28 23
  45 1.59 16
  51 2.07 21
  52 1.36 14
  53 9.98 100
  54 2.66 27
  55 51.95 520
  56 3.3 33
  57 4.36 44
  58 1.09 11
  65 2.48 25
  66 1.3 13
  67 17.27 173
  68 6.03 60
  69 5.26 53
  70 1.41 14
  71 16.44 164
  72 2.35 24
  77 5.34 53
  78 1.34 13
  79 14.63 146
  80 43.1 431
  81 15.51 155
  82 14.64 146
  83 12.94 129
  85 1.78 18
  91 6.35 64
  92 16.23 162
  93 99.99 999
  94 14.63 146
  95 12.84 128
  96 3.22 32
  97 2.66 27
  98 1.25 13
  105 3.96 40
  106 2.1 21
  107 8.92 89
  108 3.66 37
  109 1.92 19
  111 1.36 14
  119 1.35 14
  121 41.39 414
  122 4.72 47
  123 4.14 41
  135 7.13 71
  136 1.69 17
  150 9.69 97
  151 1.8 18
  153 1.35 14
//
