ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010088
RECORD_TITLE: 2,4-DICHLORO-1-(BENZENESULFONYLMETHOXY)-5-(1-PYRROLIDINCARBONYLOXY)-BENZENE; 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$NAME: 2,4-DICHLORO-1-(BENZENESULFONYLMETHOXY)-5-(1-PYRROLIDINCARBONYLOXY)-BENZENE
CH$NAME: 2,4-DICHLORO-5-(1-PYRROLIDINCARBOXY)-PHENOXYMETHYL PHENYL SULFONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H17Cl2NO5S
CH$EXACT_MASS: 429.02045
CH$SMILES: O=C(N(C3)CCC3)Oc(c1)c(Cl)cc(Cl)c(OCS(=O)(=O)c(c2)cccc2)1
CH$IUPAC: InChI=1S/C18H17Cl2NO5S/c19-14-10-15(20)17(26-18(22)21-8-4-5-9-21)11-16(14)25-12-27(23,24)13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9,12H2
CH$LINK: INCHIKEY GGJJHFOGACSQDE-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$SPLASH: splash10-0002-9000000000-a16ae61a5d95124d1974
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  30 2.24 22
  55 20.52 205
  56 6.63 66
  70 1.25 13
  77 2.12 21
  97 2.28 23
  98 99.99 999
  99 8.49 85
  125 5.75 58
  394 1.54 15
  429 3.07 31
  431 2.28 23
//
