ACCESSION: MSBNK-Waters-WA001308
RECORD_TITLE: Clenbuterol; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-001i-0900000000-89819f5cb56961b217bc
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  104 309 309
  105 176 176
  106 212 212
  107 8 8
  111 8 8
  113 27 27
  115 24 24
  116 67 67
  117 82 82
  118 43 43
  123 12 12
  124 12 12
  125 20 20
  126 16 16
  127 24 24
  129 12 12
  130 8 8
  131 266 266
  132 999 999
  133 231 231
  134 55 55
  135 8 8
  138 12 12
  140 447 447
  141 47 47
  142 141 141
  143 16 16
  144 8 8
  151 98 98
  152 31 31
  153 55 55
  154 12 12
  155 12 12
  157 8 8
  161 35 35
  163 24 24
  167 125 125
  168 215 215
  169 71 71
  170 67 67
  172 8 8
  174 47 47
  176 24 24
  190 8 8
  192 8 8
  203 35 35
  205 24 24
  259 8 8
  277 16 16
  279 8 8
//