MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003623
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003623
RECORD_TITLE: 1,3,5-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$NAME: 1,3,5-TRICHLOROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H3Cl3
CH$EXACT_MASS: 179.93003
CH$SMILES: Clc(c1)cc(Cl)cc(Cl)1
CH$IUPAC: InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H
CH$LINK: INCHIKEY
XKEFYDZQGKAQCN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8026195
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-1900000000-0a270571872ea9fda5ca
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
28 2.7 27
37 3 30
50 4.3 43
54 0.21 2
55 2.4 24
72 6.3 63
73 7.7 77
74 1.18 12
75 6.9 69
84 3.5 35
90 6.3 63
91 0.62 6
109 12.7 127
110 3 30
111 3.8 38
145 2.25 23
146 3 30
147 14.2 142
149 2.9 29
180 99.99 999
181 6.9 69
182 97 970
183 6.3 63
184 3.16 32
185 2 20
186 3.2 32
//