MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003621
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003621
RECORD_TITLE: 1,2,3-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$NAME: 1,2,3-TRICHLOROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H3Cl3
CH$EXACT_MASS: 179.93003
CH$SMILES: Clc(c1)c(Cl)c(Cl)cc1
CH$IUPAC: InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H
CH$LINK: INCHIKEY
RELMFMZEBKVZJC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8026193
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-1900000000-744b718f7818aa4bd0be
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
49 2.2 22
50 3 30
54 2.8 28
55 0.22 2
72 6.5 65
73 6.3 63
74 12.3 123
75 0.76 8
84 7.4 74
85 2.5 25
86 2.3 23
90 0.65 7
91 6.1 61
92 2.2 22
108 2 20
109 1.47 15
110 3.2 32
111 5 50
144 2.6 26
145 2.54 25
146 3.3 33
147 16.5 165
149 2.5 25
180 99.99 999
181 8 80
182 97.2 972
183 7.5 75
184 3.13 31
185 2 20
186 3 30
//