ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004590
RECORD_TITLE: ETHYL 9-(PARA-PHENOXYPHENYL)-2,4-NONADIENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 9-(PARA-PHENOXYPHENYL)-2,4-NONADIENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₂₆O₃
CH$EXACT_MASS: 350.18819
CH$SMILES: CCOC(=O)C=CC=CCCCCc(c2)ccc(c2)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C23H26O3/c1-2-25-23(24)15-11-6-4-3-5-8-12-20-16-18-22(19-17-20)26-21-13-9-7-10-14-21/h4,6-7,9-11,13-19H,2-3,5,8,12H2,1H3/b6-4+,15-11+
CH$LINK: INCHIKEY CICFIKLRBCYDKV-OKOYHYLBSA-N

AC$INSTRUMENT: JEOL JMS-HX-100
AC$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$SPLASH: splash10-003r-4941000000-8e6fc749cfe98a0ba5a0
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
  39 5.88 59
  41 5.99 60
  51 10.02 100
  53 5.45 55
  55 9.04 90
  65 7.08 71
  66 6.54 65
  67 4.93 49
  77 39.59 396
  78 6.01 60
  79 7.08 71
  81 5.39 54
  86 3.6 36
  89 3.87 39
  90 4.34 43
  91 12.08 121
  93 2.77 28
  94 3.04 30
  97 4.3 43
  99 2.89 29
  103 2.92 29
  104 2.75 28
  105 2.01 20
  107 17.52 175
  108 2.39 24
  114 8.4 84
  115 16.63 166
  116 22.17 222
  117 8.39 84
  121 2.93 29
  125 4.08 41
  127 4.94 49
  128 5.12 51
  129 6.78 68
  130 2.88 29
  131 4.13 41
  139 2.27 23
  141 4.49 45
  142 3.13 31
  143 2.81 28
  152 4.32 43
  153 5.85 59
  154 5.74 57
  155 7.28 73
  167 5.82 58
  168 2.68 27
  169 3.8 38
  170 11.53 115
  180 2.3 23
  181 5.03 50
  182 3.13 31
  183 99.99 999
  184 19.72 197
  185 2.42 24
  196 21.08 211
  197 6.24 62
  209 26.54 265
  210 6.81 68
  211 2.32 23
  221 3.48 35
  222 2.77 28
  223 4.04 40
  233 2.59 26
  235 6.89 69
  236 6.38 64
  237 3.66 37
  262 4.98 50
  268 31.01 310
  269 7.01 70
  275 2.73 27
  276 22.22 222
  277 15.38 154
  278 3.12 31
  282 2.55 26
  305 11.58 116
  306 2.87 29
  350 36.28 363
  351 10.21 102
//