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MassBank Record: WA001311

Clenbuterol; LC-ESI-Q; MS; POS; 45 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA001311
RECORD_TITLE: Clenbuterol; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-0zfr-0290000000-c591c436e7d7880e202e
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  131 55 55
  132 266 266
  133 16 16
  167 82 82
  168 78 78
  169 39 39
  170 24 24
  186 12 12
  188 8 8
  203 999 999
  204 27 27
  205 674 674
  206 35 35
  207 114 114
  208 8 8
  221 20 20
  223 8 8
  244 16 16
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  259 102 102
  260 8 8
  261 67 67
  262 8 8
  263 12 12
  277 82 82
  278 8 8
  279 55 55
  281 8 8
//

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