ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009928
RECORD_TITLE: METHYL 3,5-DICHLORO-2-HYDROXY-4-(2-PROPYNOXY)BENZOATE; 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$NAME: METHYL 3,5-DICHLORO-2-HYDROXY-4-(2-PROPYNOXY)BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₈Cl₂O₄
CH$EXACT_MASS: 273.97996
CH$SMILES: C#CCOc(c(Cl)1)c(Cl)c(O)c(C(=O)OC)c1
CH$IUPAC: InChI=1S/C11H8Cl2O4/c1-3-4-17-10-7(12)5-6(11(15)16-2)9(14)8(10)13/h1,5,14H,4H2,2H3
CH$LINK: INCHIKEY HFDROIQVJXCSEP-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$SPLASH: splash10-0a4i-2290000000-e37b8ba44753cca9c0a7
PK$NUM_PEAK: 102
PK$PEAK: m/z int. rel.int.
  27 0.7 7
  28 0.9 9
  29 0.2 2
  36 0.17 2
  37 1.7 17
  38 1.7 17
  39 18.4 184
  50 0.19 2
  51 1.9 19
  53 4 40
  59 3.8 38
  61 0.17 2
  62 1.2 12
  63 1.9 19
  69 0.3 3
  72 0.16 2
  73 1.2 12
  75 0.9 9
  77 3.1 31
  84 0.19 2
  85 3.3 33
  86 1.7 17
  87 2.2 22
  96 0.07 1
  97 1.7 17
  99 1.7 17
  101 0.5 5
  103 0.29 3
  109 0.5 5
  111 1.9 19
  112 1.4 14
  113 0.5 5
  115 0.7 7
  119 3.4 34
  120 1.6 16
  121 0.28 3
  122 0.5 5
  123 5.2 52
  124 0.7 7
  125 0.1 1
  129 0.7 7
  131 1.7 17
  133 1 10
  139 0.17 2
  140 0.3 3
  141 0.3 3
  143 0.2 2
  147 0.45 5
  148 1.4 14
  149 2.9 29
  150 1.7 17
  151 0.36 4
  152 1.7 17
  153 1.7 17
  154 1.7 17
  155 0.03 0
  156 0.3 3
  157 0.3 3
  158 0.2 2
  159 0.14 1
  166 1.7 17
  167 0.3 3
  168 1.7 17
  175 2.38 24
  176 1.6 16
  177 14.5 145
  178 0.7 7
  179 0.81 8
  180 3.4 34
  181 1.6 16
  182 1.7 17
  186 0.21 2
  187 1.4 14
  188 1.7 17
  189 0.9 9
  194 0.1 1
  195 1 10
  204 1.7 17
  205 1.2 12
  206 0.21 2
  207 99.99 999
  208 10.9 109
  209 32.6 326
  210 0.29 3
  211 1.6 16
  213 1 10
  214 10.3 103
  215 0.31 3
  216 6.4 64
  217 2.9 29
  239 6.7 67
  241 0.17 2
  242 7.2 72
  243 3.4 34
  244 4.6 46
  245 0.19 2
  246 1.7 17
  247 0.2 2
  274 18.4 184
  276 1.21 12
  277 1.7 17
  278 2.1 21
//