ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002966
RECORD_TITLE: 5-CHLORO-4-HYDROXY-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$NAME: 5-CHLORO-4-HYDROXY-3-PHENYLISOTHIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₆ClNOS
CH$EXACT_MASS: 210.98586
CH$SMILES: c(c2)ccc(c2)c(n1)c(O)c(Cl)s1
CH$IUPAC: InChI=1S/C9H6ClNOS/c10-9-8(12)7(11-13-9)6-4-2-1-3-5-6/h1-5,12H
CH$LINK: INCHIKEY OCQBHHUDBUQVRY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70346301

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$SPLASH: splash10-0imi-9250000000-5240ad0e6b8093831061
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  38 2.3 23
  39 6.8 68
  44 6.8 68
  45 1.25 13
  50 17 170
  51 31.8 318
  52 6.8 68
  62 0.34 3
  63 5.7 57
  64 3.4 34
  72 13.6 136
  73 0.45 5
  74 6.8 68
  75 10.2 102
  76 23.9 239
  77 0.67 7
  78 11.4 114
  79 38.6 386
  80 8 80
  81 1.36 14
  82 3.4 34
  102 4.5 45
  103 17 170
  104 1.14 11
  105 28.4 284
  106 2.3 23
  108 6.8 68
  110 0.23 2
  147 4.5 45
  211 99.99 999
  212 13.6 136
  213 3.41 34
  214 5.7 57
  215 3.4 34
//