ACCESSION: MSBNK-Waters-WA002641
RECORD_TITLE: Metribuzin; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-0ldi-0900000000-3fe68586c9e71f534509
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
  100 999 999
  101 153 153
  103 35 35
  104 31 31
  107 184 184
  108 278 278
  109 24 24
  110 98 98
  111 110 110
  113 94 94
  114 380 380
  115 262 262
  116 623 623
  117 94 94
  118 227 227
  121 106 106
  122 153 153
  123 168 168
  124 86 86
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  126 82 82
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  136 129 129
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  141 466 466
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  144 59 59
  147 20 20
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  216 43 43
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  263 20 20
  271 12 12
//