MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003623

1,3,5-TRICHLOROBENZENE; EI-B; MS

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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

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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

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AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

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MS$FOCUSED_ION: ION_TYPE [M]+*

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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
//