ACCESSION: MSBNK-Waters-WA002715
RECORD_TITLE: Isoprenaline; 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$NAME: Isoprenaline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₇NO₃
CH$EXACT_MASS: 211.12084
CH$SMILES: CC(C)NCC(O)c(c1)cc(O)c(O)c1
CH$IUPAC: InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
CH$LINK: CAS 7683-59-2
CH$LINK: INCHIKEY JWZZKOKVBUJMES-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4023175

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 2.680 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$SPLASH: splash10-0udr-0900000000-800413426ce1ebc5eae4
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  106 71 71
  107 427 427
  108 24 24
  109 47 47
  113 12 12
  125 12 12
  130 12 12
  131 16 16
  134 82 82
  135 513 513
  136 39 39
  137 27 27
  148 20 20
  152 999 999
  153 82 82
  159 20 20
  193 12 12
  194 474 474
  195 63 63
  212 31 31
//