MassBank Record: JP002966



 5-CHLORO-4-HYDROXY-3-PHENYLISOTHIAZOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //