ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009930
RECORD_TITLE: N-(2,4-DICHLORO-5-HYDROXYPHENOXYCARBONYL)TETRAHYDROPYRROLE; 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$NAME: N-(2,4-DICHLORO-5-HYDROXYPHENOXYCARBONYL)TETRAHYDROPYRROLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₁Cl₂NO₃
CH$EXACT_MASS: 275.01160
CH$SMILES: O=C(Oc(c2)c(Cl)cc(Cl)c(O)2)N(C1)CCC1
CH$IUPAC: InChI=1S/C11H11Cl2NO3/c12-7-5-8(13)10(6-9(7)15)17-11(16)14-3-1-2-4-14/h5-6,15H,1-4H2
CH$LINK: INCHIKEY NNKDVXRNTGSXFM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00162319

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$SPLASH: splash10-0002-9000000000-e5a4a84651d721529aae
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  27 1.4 14
  28 3.8 38
  29 3.4 34
  30 1 10
  39 1.7 17
  41 4.3 43
  42 3.3 33
  55 6.9 69
  56 27.8 278
  63 1 10
  69 1.7 17
  70 0.29 3
  73 0.9 9
  85 1.2 12
  97 0.5 5
  98 99.99 999
  99 5.2 52
  113 0.8 8
  114 0.5 5
  115 0.06 1
  116 0.2 2
  117 0.2 2
  120 0.1 1
  121 0.02 0
  123 0.1 1
  125 0.2 2
  132 0.1 1
  133 0.08 1
  134 0.1 1
  135 0.5 5
  137 0.3 3
  138 0.02 0
  149 1.7 17
  150 1.2 12
  151 0.2 2
  153 0.02 0
  161 0.4 4
  163 0.2 2
  177 0.2 2
  178 0.17 2
  179 0.2 2
  180 1.1 11
  182 0.2 2
  198 0.01 0
  240 3.7 37
  241 0.5 5
  242 1.3 13
  243 0.02 0
  275 2.6 26
  276 0.5 5
  277 1.7 17
  278 0.02 0
  279 0.3 3
//