ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009919
RECORD_TITLE: ETHYL 3,7,11-TRIMETHYL-10-DODECENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 3,7,11-TRIMETHYL-10-DODECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₂O₂
CH$EXACT_MASS: 268.24023
CH$SMILES: CCOC(=O)CC(C)CCCC(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C17H32O2/c1-6-19-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h9,15-16H,6-8,10-13H2,1-5H3
CH$LINK: INCHIKEY RLJQAAPXMHYQJM-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-014l-9400000000-2b60207f89a885f8ed67
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  27 6.4 64
  29 25 250
  41 37.3 373
  42 0.48 5
  43 35.3 353
  45 6.6 66
  53 5.8 58
  55 6.27 63
  56 29.5 295
  57 30.6 306
  59 4.5 45
  60 0.48 5
  61 7.2 72
  67 16.3 163
  68 24.2 242
  69 99.99 999
  70 28.1 281
  71 15.3 153
  73 6.7 67
  81 2.27 23
  82 15.6 156
  83 39.1 391
  84 5 50
  85 0.45 5
  87 13.4 134
  88 41.4 414
  89 8.1 81
  94 0.88 9
  95 45.3 453
  96 16.4 164
  97 28 280
  98 3.05 31
  99 5.3 53
  101 6.6 66
  109 29.5 295
  110 2.27 23
  111 27.2 272
  115 43 430
  123 19.5 195
  124 2.63 26
  125 57.2 572
  126 12.8 128
  129 6.1 61
  137 0.98 10
  139 4.8 48
  142 5.9 59
  143 16.4 164
  151 1.22 12
  152 18.6 186
  160 0.3 3
  165 7 70
  179 0.59 6
  180 13.4 134
  205 4.2 42
  222 16.9 169
  223 1.14 11
  268 10.3 103
//