MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003410
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003410
RECORD_TITLE: BIS(2-CHLOROETHYL) ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: BIS(2-CHLOROETHYL) ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H8Cl2O
CH$EXACT_MASS: 141.99522
CH$SMILES: ClCCOCCCl
CH$IUPAC: InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2
CH$LINK: INCHIKEY
ZNSMNVMLTJELDZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9020168
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-01ox-9000000000-5941a1658066584e31b1
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
44 6.2 62
45 3.9 39
49 5.5 55
62 4 40
63 84.3 843
65 27 270
83 3.5 35
93 99.99 999
94 3.2 32
95 32.7 327
108 3.3 33
129 0.35 4
142 3.5 35
//
system version 2.2.8-SNAPSHOT