ACCESSION: MSBNK-Waters-WA001309
RECORD_TITLE: Clenbuterol; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-001i-0900000000-1d19e2fbaa5ca6d65c25
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  104 71 71
  105 43 43
  106 35 35
  113 8 8
  116 8 8
  117 12 12
  127 8 8
  131 168 168
  132 999 999
  133 180 180
  134 16 16
  140 161 161
  141 24 24
  142 63 63
  143 8 8
  151 71 71
  152 27 27
  153 35 35
  154 8 8
  161 16 16
  163 12 12
  167 161 161
  168 423 423
  169 78 78
  170 137 137
  171 8 8
  174 20 20
  176 16 16
  186 8 8
  188 8 8
  190 8 8
  191 12 12
  203 78 78
  205 55 55
  207 8 8
  259 8 8
  261 8 8
  277 16 16
  279 12 12
//