ACCESSION: MSBNK-EPA-ENTACT_AGILENT000486
RECORD_TITLE: Clonidine; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0006-9500000000-219d2511f377205765f7
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  42.0338255548 4.60446 45
  44.0494756186 100 999
  59.0603746579 3.549256 35
  69.0447245941 2.280789 22
  108.9839541936 2.434036 24
  123.9948532329 5.113042 51
  131.0603746579 1.056091 10
  132.0681996898 1.151814 11
  132.9606319355 4.437582 44
  135.9948532329 4.434375 44
  144.9606319355 7.176928 71
  151.0183283286 2.847247 28
  152.0135773041 1.776304 17
  153.021402336 1.496846 14
  158.0712736972 1.583782 15
  159.0790987291 1.51346 15
  159.9715309748 9.697814 96
  160.086923761 1.903547 19
  171.9715309748 5.662576 56
  184.9667799503 2.379847 23
  185.9871810386 2.496887 24
  186.9824300141 5.78376 57
  194.0479514391 2.735182 27
  212.9980800779 6.331047 63
  230.024629181 4.802397 47
//