MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006124
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006124
RECORD_TITLE: 1,2,4-TRICHLOROBENZENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-001i-0900000000-303f7049526c67190043
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
74 18.55 186
75 10.77 108
79 1.43 14
108 2.67 27
109 18.54 185
110 4.05 41
111 5.52 55
112 1.32 13
144 2.29 23
145 13.44 134
146 2.16 22
147 8.19 82
148 1.03 10
149 2.03 20
180 99.99 999
181 11.26 113
182 92.14 921
183 11.23 112
184 29.92 299
185 3.91 39
186 3.23 32
//