ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005373
RECORD_TITLE: (Z,Z)-7,11-HEXADECADIENYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: (Z,Z)-7,11-HEXADECADIENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₂O₂
CH$EXACT_MASS: 280.24023
CH$SMILES: CCCCC([H])=C([H])CCC([H])=C([H])CCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h6-7,10-11H,3-5,8-9,12-17H2,1-2H3/b7-6-,11-10-
CH$LINK: INCHIKEY BXJHOKLLMOYSRQ-QOXWLJPHSA-N
CH$LINK: COMPTOX DTXSID9035751

AC$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-0a5a-9300000000-a13c6dfb5168b74c71f6
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  43 4.8 48
  44 23.5 235
  45 1.3 13
  46 0.23 2
  54 23.7 237
  55 99.99 999
  56 5.2 52
  57 0.56 6
  61 3.9 39
  66 4.6 46
  67 48.1 481
  68 2.47 25
  69 18.1 181
  70 1.9 19
  71 2.6 26
  78 0.14 1
  79 9 90
  80 15.3 153
  81 70.3 703
  82 3.95 40
  83 8.8 88
  85 1.2 12
  93 14.9 149
  94 1.46 15
  95 30.8 308
  96 42 420
  97 24 240
  98 0.21 2
  107 13.5 135
  108 8.5 85
  109 11.4 114
  110 1.57 16
  111 3.1 31
  121 22.4 224
  122 18.3 183
  123 1.89 19
  124 18.6 186
  125 3.1 31
  134 2.9 29
  135 1.52 15
  136 14.3 143
  137 10.9 109
  138 10 100
  139 0.16 2
  148 2.5 25
  149 14.8 148
  150 8.6 86
  151 0.34 3
  152 2.5 25
  162 1.4 14
  163 9.7 97
  164 0.56 6
  165 1.2 12
  177 3.3 33
  178 1.7 17
  191 0.19 2
  192 1.6 16
  219 1.6 16
  220 11.6 116
  221 0.25 3
  223 1.1 11
  237 1.6 16
  280 5.4 54
  281 1.2 12
//