ACCESSION: MSBNK-Waters-WA002642
RECORD_TITLE: Metribuzin; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-0f89-0900000000-6f2618c3dfab62ee06fe
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  100 999 999
  101 125 125
  102 16 16
  104 86 86
  108 102 102
  109 121 121
  110 59 59
  111 63 63
  112 20 20
  113 74 74
  114 102 102
  115 125 125
  116 176 176
  117 24 24
  121 24 24
  122 27 27
  123 106 106
  124 51 51
  125 106 106
  126 16 16
  129 43 43
  130 255 255
  131 893 893
  132 71 71
  133 78 78
  137 20 20
  139 39 39
  140 43 43
  141 55 55
  142 176 176
  143 51 51
  145 82 82
  152 27 27
  153 20 20
  154 31 31
  155 20 20
  156 548 548
  157 121 121
  158 31 31
  166 12 12
  170 20 20
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  177 20 20
  184 118 118
  185 27 27
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  188 31 31
  189 24 24
  197 12 12
  207 12 12
  215 67 67
  216 20 20
//