MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003622
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003622
RECORD_TITLE: 1,2,4-TRICHLOROBENZENE; 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$NAME: 1,2,4-TRICHLOROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H3Cl3
CH$EXACT_MASS: 179.93003
CH$SMILES: Clc(c1)cc(Cl)c(Cl)c1
CH$IUPAC: InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H
CH$LINK: INCHIKEY
PBKONEOXTCPAFI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0021965
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001i-1900000000-a89e54cbf388d5ac3650
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
37 3.2 32
50 3.6 36
54 3 30
55 0.25 3
72 7 70
73 7.2 72
74 12.2 122
75 0.79 8
84 5.4 54
85 2.8 28
90 7.1 71
91 0.57 6
109 15 150
110 3.6 36
111 5.5 55
144 0.29 3
145 22.9 229
146 3.8 38
147 15.5 155
149 0.32 3
180 99.99 999
181 7.7 77
182 97.2 972
183 0.67 7
184 31.4 314
185 3 30
186 3.9 39
//