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MassBank Record: WA001312

Clenbuterol; LC-ESI-Q; MS; POS; 30 V

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

ACCESSION: WA001312
RECORD_TITLE: Clenbuterol; LC-ESI-Q; MS; POS; 30 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 30 V

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

PK$SPLASH: splash10-0pdi-0090000000-776637127bfde5ea4c48
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  116 8 8
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  203 972 972
  204 27 27
  205 686 686
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  207 118 118
  221 8 8
  223 8 8
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  259 999 999
  260 82 82
  261 697 697
  262 63 63
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  264 12 12
  277 678 678
  278 47 47
  279 454 454
  280 51 51
  281 71 71
  282 8 8
  555 8 8
  589 8 8
  591 8 8
  593 12 12
//

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