ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005138
RECORD_TITLE: 1-ACETOXY-3-(2-CHLORO-3,4-DIMETHOXYPHENYL)-4-PHENYL-2-BUTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, FAC. OF SCIENCE AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 1-ACETOXY-3-(2-CHLORO-3,4-DIMETHOXYPHENYL)-4-PHENYL-2-BUTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H21ClO5
CH$EXACT_MASS: 376.10775
CH$SMILES: CC(=O)OCC(=O)C(Cc(c2)cccc2)c(c1)c(Cl)c(OC)c(OC)c1
CH$IUPAC: InChI=1S/C20H21ClO5/c1-13(22)26-12-17(23)16(11-14-7-5-4-6-8-14)15-9-10-18(24-2)20(25-3)19(15)21/h4-10,16H,11-12H2,1-3H3
CH$LINK: INCHIKEY IHZNCXSMDVOALJ-UHFFFAOYSA-N
AC$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: splash10-004l-6591000000-4dfb5fcbb042e376fbf8
PK$NUM_PEAK: 110
PK$PEAK: m/z int. rel.int.
  39 2.59 26
  41 2.55 26
  42 1.54 15
  43 99.99 999
  45 2.59 26
  50 1.04 10
  51 3.22 32
  55 4 40
  57 1.85 19
  60 1.17 12
  63 3.39 34
  65 6.1 61
  71 1.02 10
  73 6.15 62
  75 2.08 21
  76 2.14 21
  77 6.33 63
  78 1.45 15
  81 1.15 12
  89 3 30
  91 28.51 285
  92 2.74 27
  97 1.18 12
  101 5.89 59
  102 1.84 18
  103 6.31 63
  104 1.54 15
  105 3.65 37
  113 1.24 12
  115 2.74 27
  117 2.88 29
  119 2.31 23
  125 1.32 13
  126 1.16 12
  127 1.65 17
  128 1.43 14
  129 2.04 20
  139 3.47 35
  141 2.19 22
  147 1.11 11
  149 3.4 34
  150 1.02 10
  151 2.81 28
  152 9.1 91
  153 7.14 71
  154 2.49 25
  155 1.5 15
  163 1.3 13
  164 1.35 14
  165 12.47 125
  166 3.98 40
  167 2.31 23
  169 1.56 16
  171 1.15 12
  176 1.43 14
  177 2.35 24
  178 4.39 44
  179 4.85 49
  180 1.79 18
  181 3.88 39
  182 2.21 22
  183 1.29 13
  185 7.89 79
  186 1.03 10
  187 2.63 26
  191 1.07 11
  192 2.44 24
  193 2.67 27
  194 2.62 26
  195 2.24 22
  196 1.44 14
  197 4.32 43
  198 1.75 18
  199 2.96 30
  200 1.28 13
  201 1.08 11
  207 1.74 17
  208 4.5 45
  209 4.09 41
  210 1.4 14
  211 1.13 11
  212 1.45 15
  215 4.99 50
  217 1.97 20
  224 3.05 31
  225 7.39 74
  226 1.45 15
  227 3.21 32
  228 1.78 18
  229 1.33 13
  239 4.89 49
  240 28.75 288
  241 5.36 54
  243 1.17 12
  244 2.1 21
  250 2.72 27
  260 3.14 31
  262 1.08 11
  274 1.51 15
  275 86.88 869
  276 17.67 177
  277 31.05 311
  278 5.66 57
  285 12.21 122
  286 1.84 18
  287 4.3 43
  376 31.14 311
  377 7.2 72
  378 11.12 111
  379 2.41 24
//
