MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000962
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000962
RECORD_TITLE: BIS(2-CHLOROETHOXY)METHANE; 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$NAME: BIS(2-CHLOROETHOXY)METHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H10Cl2O2
CH$EXACT_MASS: 172.00578
CH$SMILES: ClCCOCOCCCl
CH$IUPAC: InChI=1S/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2
CH$LINK: CAS
111-91-1
CH$LINK: INCHIKEY
NLXGURFLBLRZRO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4023917
AC$INSTRUMENT: JEOL JMS-01-SG
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: splash10-01ox-9100000000-c31715bf440cf579c172
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
43 2.8 28
44 3.8 38
49 4.5 45
61 0.21 2
62 3.2 32
63 68.7 687
65 22.1 221
93 99.99 999
94 3.4 34
95 30.4 304
96 2.1 21
106 0.49 5
123 24.9 249
125 7.2 72
171 3 30
//
system version 2.2.8-SNAPSHOT