ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002967
RECORD_TITLE: 5-CHLORO-4-CYANO-3-PHENYLISOTHIAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 5-CHLORO-4-CYANO-3-PHENYLISOTHIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₅ClN₂S
CH$EXACT_MASS: 219.98620
CH$SMILES: N#Cc(c(Cl)2)c(ns2)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H5ClN2S/c11-10-8(6-12)9(13-14-10)7-4-2-1-3-5-7/h1-5H
CH$LINK: INCHIKEY XVZHEHJRVLCBAM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20333589

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$SPLASH: splash10-00di-9370000000-fce2e5a9fa609db0c5a8
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  37 2 20
  38 5 50
  39 8 80
  41 0.4 4
  42 3 30
  43 4 40
  45 2 20
  50 0.16 2
  51 27 270
  52 4 40
  56 2 20
  57 0.03 0
  61 2 20
  62 3 30
  63 5 50
  64 0.02 0
  75 7 70
  76 14 140
  77 31 310
  78 0.02 0
  79 5 50
  81 2 20
  82 12 120
  83 0.03 0
  87 2 20
  88 2 20
  91 2 20
  92 0.07 1
  93 2 20
  94 3 30
  102 5 50
  103 0.14 1
  108 3 30
  110 4 40
  114 3 30
  117 0.11 1
  119 4 40
  129 3 30
  135 12 120
  141 0.03 0
  158 3 30
  160 4 40
  184 12 120
  185 0.47 5
  186 7 70
  220 99.99 999
  221 13 130
  222 0.35 4
  223 5 50
//