ACCESSION: MSBNK-Waters-WA002644
RECORD_TITLE: Metribuzin; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-00kr-0930000000-cc554e05cc3742e4922f
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  100 20 20
  104 145 145
  109 16 16
  110 16 16
  111 20 20
  112 24 24
  115 125 125
  123 20 20
  125 39 39
  127 12 12
  130 31 31
  131 306 306
  132 31 31
  133 24 24
  139 12 12
  140 24 24
  142 67 67
  143 16 16
  145 55 55
  155 16 16
  156 16 16
  157 24 24
  167 20 20
  171 129 129
  172 43 43
  173 12 12
  184 27 27
  186 114 114
  187 999 999
  188 90 90
  189 47 47
  200 16 16
  215 870 870
  216 90 90
  217 43 43
  242 82 82
  244 16 16
//