ACCESSION: MSBNK-Waters-WA002596
RECORD_TITLE: Mecoprop; LC-ESI-Q; MS; NEG; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Mecoprop
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₁ClO₃
CH$EXACT_MASS: 214.03967
CH$SMILES: OC(=O)C(C)Oc(c1)c(C)cc(Cl)c1
CH$IUPAC: InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
CH$LINK: CAS 7085-19-0
CH$LINK: INCHIKEY WNTGYJSOUMFZEP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9024194

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 17.340 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 15 V

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

PK$SPLASH: splash10-03di-0090000000-d665f56e2f943f221952
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  141 16 16
  213 999 999
  214 118 118
  215 333 333
  216 35 35
//