MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006208

1,2-BIS(2-CHLOROETHOXY)ETHANE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006208
RECORD_TITLE: 1,2-BIS(2-CHLOROETHOXY)ETHANE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: 1,2-BIS(2-CHLOROETHOXY)ETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂Cl₂O₂
CH$EXACT_MASS: 186.02144
CH$SMILES: ClCCOCCOCCCl
CH$IUPAC: InChI=1S/C6H12Cl2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2
CH$LINK: INCHIKEY AGYUOJIYYGGHKV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8047000

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-000i-0900000000-cfbddc4ee031768ef2f7
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  93 3.81 38
  95 1.18 12
  106 6.05 61
  107 40.61 406
  108 3.94 39
  109 12.81 128
  137 1.36 14
  151 2.3 23
  185 2.15 22
  187 99.99 999
  188 6.77 68
  189 64.75 648
  190 4.62 46
  191 10.79 108
//