ACCESSION: MSBNK-Waters-WA000682
RECORD_TITLE: Salbutamol; 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$NAME: Salbutamol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₁NO₃
CH$EXACT_MASS: 239.15214
CH$SMILES: OCc(c1)c(O)ccc1C(O)CNC(C)(C)C
CH$IUPAC: InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
CH$LINK: CAS 18559-94-9
CH$LINK: INCHIKEY NDAUXUAQIAJITI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021255

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 2.700 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$SPLASH: splash10-007k-0900000000-3e3a6b4a52ff1953bc6c
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  103 141 141
  104 8 8
  105 31 31
  106 55 55
  107 20 20
  108 8 8
  109 8 8
  117 20 20
  118 74 74
  119 47 47
  120 223 223
  121 458 458
  122 31 31
  130 278 278
  131 86 86
  133 274 274
  134 20 20
  135 20 20
  136 24 24
  146 16 16
  147 8 8
  148 999 999
  149 86 86
  166 39 39
  192 8 8
  222 24 24
  240 39 39
//