MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000953
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000953
RECORD_TITLE: 1,1-DICHLOROETHANE; 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$NAME: 1,1-DICHLOROETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2H4Cl2
CH$EXACT_MASS: 97.96901
CH$SMILES: CC(Cl)Cl
CH$IUPAC: InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3
CH$LINK: CAS
75-34-3
CH$LINK: INCHIKEY
SCYULBFZEHDVBN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1020437
AC$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: splash10-03fr-9000000000-3f6cecc18b30923c43a7
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
25 3.1 31
26 13.2 132
27 42.8 428
28 0.37 4
35 5.8 58
36 2.9 29
37 2.4 24
47 0.29 3
60 3.5 35
61 8.9 89
62 8.4 84
63 99.99 999
64 4.2 42
65 31.4 314
83 12.9 129
85 0.83 8
98 6.8 68
100 3.6 36
//
system version 2.2.8-SNAPSHOT