ACCESSION: MSBNK-Waters-WA001310
RECORD_TITLE: Clenbuterol; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Clenbuterol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈Cl₂N₂O
CH$EXACT_MASS: 276.07962
CH$SMILES: CC(C)(C)NCC(O)c(c1)cc(Cl)c(N)c(Cl)1
CH$IUPAC: InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3
CH$LINK: CAS 37148-27-9
CH$LINK: INCHIKEY STJMRWALKKWQGH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7022833

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 11.900 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 60 V

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

PK$SPLASH: splash10-001i-0930000000-929acf0db17efd68ad5c
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  104 8 8
  131 176 176
  132 999 999
  133 86 86
  134 8 8
  140 27 27
  142 8 8
  151 39 39
  152 8 8
  153 16 16
  167 168 168
  168 415 415
  169 78 78
  170 129 129
  171 12 12
  186 24 24
  188 16 16
  191 8 8
  203 388 388
  204 20 20
  205 270 270
  206 12 12
  207 43 43
  221 20 20
  223 16 16
  244 8 8
  259 24 24
  261 16 16
  277 39 39
  279 24 24
//