ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004584
RECORD_TITLE: ETHYL 2-METHOXY-6-PENTADECYLBENZOATE; 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$NAME: ETHYL 2-METHOXY-6-PENTADECYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₅H₄₂O₃
CH$EXACT_MASS: 390.31340
CH$SMILES: CCCCCCCCCCCCCCCc(c1)c(C(=O)OCC)c(OC)cc1
CH$IUPAC: InChI=1S/C25H42O3/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/h18,20-21H,4-17,19H2,1-3H3
CH$LINK: INCHIKEY SQFAYXIKUHVPRT-UHFFFAOYSA-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$SPLASH: splash10-03dl-2901000000-3f13d6f68bfb07c5ca58
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  39 2.29 23
  41 17.66 177
  42 2.65 27
  43 26.7 267
  55 14.64 146
  57 9.61 96
  67 2.63 26
  69 6.45 65
  71 2.29 23
  77 4.77 48
  78 2.16 22
  79 3.52 35
  81 2.02 20
  83 2.62 26
  90 4 40
  91 9.31 93
  103 2.82 28
  105 4.74 47
  107 3.13 31
  115 2.34 23
  119 2.02 20
  121 29.3 293
  122 9.69 97
  131 2.18 22
  132 2.39 24
  133 4.01 40
  134 3.75 38
  135 7.65 77
  146 4.2 42
  147 10.68 107
  148 16.41 164
  149 8.17 82
  150 6.09 61
  159 4.25 43
  160 3.59 36
  161 99.99 999
  162 24.98 250
  163 10.1 101
  165 9.73 97
  174 2.3 23
  175 19.14 191
  176 7.6 76
  177 3.75 38
  179 3.87 39
  189 4.01 40
  190 4.51 45
  193 9.26 93
  194 36.71 367
  195 4.87 49
  203 3.25 33
  204 3.87 39
  207 10.05 101
  217 2.74 27
  344 2.93 29
  345 34.47 345
  346 9.46 95
  390 24.15 242
  391 7.07 71
//