MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006208
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
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
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
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
//