ACCESSION: MSBNK-Waters-WA000217
RECORD_TITLE: Thidiazuron; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Thidiazuron
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₈N₄OS
CH$EXACT_MASS: 220.04188
CH$SMILES: O=C(Nc(c2)cccc2)Nc(c1)snn1
CH$IUPAC: InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)
CH$LINK: CAS 51707-55-2
CH$LINK: INCHIKEY HFCYZXMHUIHAQI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0032651

AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 220.9
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0udi-0900000000-a1d6eb2b6e6c8e8745e2
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  72 8 8
  91 12 12
  94 67 67
  101 999 999
  120 20 20
  127 102 102
  221 12 12
//