ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004585
RECORD_TITLE: ETHYL2-METHOXY-6(1-PENTDECENYL)BENZOATE; 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$NAME: ETHYL2-METHOXY-6(1-PENTDECENYL)BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₅H₄₀O₃
CH$EXACT_MASS: 388.29775
CH$SMILES: CCCCCCCCCCCCCC=Cc(c1)c(C(=O)OCC)c(OC)cc1
CH$IUPAC: InChI=1S/C25H40O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23(27-3)24(22)25(26)28-5-2/h17-21H,4-16H2,1-3H3/b19-17+
CH$LINK: INCHIKEY JUWPXQAVBPMMNP-HTXNQAPBSA-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$SPLASH: splash10-0a4l-1963000000-a07041eb831b561e1701
PK$NUM_PEAK: 111
PK$PEAK: m/z int. rel.int.
  40 1.93 19
  43 0.79 8
  44 0.14 1
  45 0.89 9
  55 0.9 9
  56 0.32 3
  57 1.53 15
  67 0.69 7
  69 1.52 15
  70 0.38 4
  71 0.89 9
  81 1.19 12
  83 1.36 14
  85 0.38 4
  91 0.28 3
  95 0.81 8
  97 1 10
  121 2.04 20
  122 0.86 9
  123 0.35 4
  128 0.36 4
  129 0.96 10
  130 0.35 4
  131 0.33 3
  132 1.23 12
  133 0.4 4
  135 0.5 5
  145 0.83 8
  146 1.46 15
  147 5.71 57
  148 5.37 54
  149 1.62 16
  150 0.59 6
  155 0.28 3
  156 0.85 9
  157 0.42 4
  158 0.41 4
  159 1.94 19
  160 2 20
  161 5.89 59
  162 1.01 10
  163 3.95 40
  164 1.97 20
  165 1.41 14
  166 0.51 5
  170 0.31 3
  171 0.38 4
  172 0.33 3
  173 3.11 31
  177 9.5 95
  178 1.59 16
  179 0.6 6
  183 0.38 4
  185 0.58 6
  186 0.35 4
  187 12.58 126
  188 5.33 53
  189 1.89 19
  190 0.44 4
  191 0.83 8
  192 6.05 61
  193 1.47 15
  194 12.93 129
  195 1.61 16
  197 0.04 0
  199 0.9 9
  200 0.33 3
  201 5.37 54
  202 1.37 14
  203 0.53 5
  205 34.59 346
  206 7.36 74
  207 1.48 15
  211 0.51 5
  213 0.5 5
  215 3.21 32
  216 0.78 8
  219 4.53 45
  220 2.85 29
  221 0.48 5
  229 0.1 1
  230 0.37 4
  233 1.41 14
  234 0.47 5
  243 0.31 3
  247 0.76 8
  248 0.31 3
  261 1.13 11
  262 0.28 3
  275 0.88 9
  276 0.28 3
  289 0.56 6
  303 0.41 4
  313 0.38 4
  315 1.23 12
  316 0.35 4
  317 0.46 5
  324 0.31 3
  327 0.31 3
  331 0.46 5
  340 0.35 4
  341 0.88 9
  342 3.66 37
  343 8.56 86
  344 2.22 22
  345 0.57 6
  359 12.2 122
  360 3.18 32
  361 0.52 5
  387 0.35 4
  390 0.9 9
//