MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004678
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004678
RECORD_TITLE: 1,1-DICHLORO-2-PHENYLETHENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 1,1-DICHLORO-2-PHENYLETHENE
CH$NAME: (2,2-DICHLOROETHENYL)BENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H6Cl2
CH$EXACT_MASS: 171.98466
CH$SMILES: ClC(Cl)=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C8H6Cl2/c9-8(10)6-7-4-2-1-3-5-7/h1-6H
CH$LINK: CAS
698-88-4
CH$LINK: INCHIKEY
CISIJYCKDJSTMX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20198892
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-00di-2900000000-53edbd4c51a2ec2ad4cc
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
50 8.77 88
51 12.83 128
62 1.83 18
63 2.6 26
68 10.57 106
69 3.44 34
74 4.8 48
75 8.19 82
76 3.05 31
77 3.87 39
86 3.42 34
87 2.59 26
99 1.85 19
101 20.86 209
102 31.66 317
103 2.72 27
112 7.59 76
114 2.43 24
136 4.67 47
137 26.4 264
138 3.81 38
139 8.88 89
172 99.99 999
173 9.41 94
174 64.32 643
175 5.91 59
176 10.99 110
//
system version 2.2.8-SNAPSHOT