ACCESSION: MSBNK-Waters-WA002643
RECORD_TITLE: Metribuzin; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Metribuzin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄N₄OS
CH$EXACT_MASS: 214.08883
CH$SMILES: CSC(=N1)N(N)C(=O)C(=N1)C(C)(C)C
CH$IUPAC: InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3
CH$LINK: CAS 21087-64-9
CH$LINK: INCHIKEY FOXFZRUHNHCZPX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6024204

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 15.480 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0f8i-0900000000-968022fec9b143127907
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  100 494 494
  101 24 24
  102 12 12
  104 188 188
  106 12 12
  107 24 24
  108 31 31
  109 35 35
  110 35 35
  111 47 47
  112 43 43
  113 16 16
  114 39 39
  115 121 121
  116 59 59
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  124 35 35
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  131 999 999
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  143 74 74
  144 31 31
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  155 24 24
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  173 16 16
  184 114 114
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  187 956 956
  188 86 86
  189 27 27
  198 12 12
  215 168 168
  216 20 20
  217 12 12
  243 35 35
//