ACCESSION: MSBNK-EPA-ENTACT_AGILENT000484
RECORD_TITLE: Clonidine; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Clonidine
CH$NAME: DTXSID8044670
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₉Cl₂N₃
CH$EXACT_MASS: 229.0173527293
CH$SMILES: ClC1C=CC=C(Cl)C=1N=C1NCCN1
CH$IUPAC: InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
CH$LINK: CAS 4205-90-7
CH$LINK: CHEMSPIDER 2701
CH$LINK: INCHIKEY GJSURZIOUXUGAL-UHFFFAOYSA-N

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 230.024629181
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-1090000000-f8b0a7cfc45326987a9a
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  44.0494756186 16.75804 167
  59.0603746579 1.39239 13
  69.0447245941 1.280327 12
  212.9980800779 1.755987 17
  230.024629181 100 999
//