MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003625
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003625
RECORD_TITLE: 1,2,3,5-TETRACHLOROBENZENE; 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$NAME: 1,2,3,5-TETRACHLOROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H2Cl4
CH$EXACT_MASS: 213.89106
CH$SMILES: Clc(c1)cc(Cl)c(Cl)c(Cl)1
CH$IUPAC: InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
CH$LINK: INCHIKEY
QZYNWJQFTJXIRN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1026089
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: splash10-02t9-0290000000-18cc989a205645040100
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
72 2.8 28
73 5 50
74 6.5 65
84 0.4 4
89 2 20
90 2 20
107 5.7 57
108 1.2 12
109 9 90
110 2.9 29
143 7.7 77
144 0.3 3
145 5 50
146 2.5 25
179 15.5 155
180 0.35 4
181 15 150
183 5 50
214 79.8 798
215 0.7 7
216 99.99 999
217 7.7 77
218 49 490
219 0.3 3
220 10 100
//
system version 2.2.7-hotfix1