ACCESSION: MSBNK-Waters-WA000219
RECORD_TITLE: Thidiazuron; LC-ESI-QQ; MS2; CE:40 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 40 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$SPLASH: splash10-0fb9-9300000000-78211f960bfbb0869478
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  51 31 31
  56 20 20
  60 259 259
  65 118 118
  72 259 259
  73 71 71
  77 999 999
  78 16 16
  85 43 43
  92 329 329
  93 67 67
  102 678 678
  120 16 16
  128 78 78
//