MassBank Record: MSBNK-Waters-WA002645
ACCESSION: MSBNK-Waters-WA002645
RECORD_TITLE: Metribuzin; LC-ESI-Q; MS; POS; 30 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 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0190000000-37654921aad270a7d953
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
104 12 12
115 24 24
131 27 27
186 24 24
187 129 129
215 999 999
216 114 114
217 55 55
242 43 43
//
system version 2.2.8-SNAPSHOT