ACCESSION: MSBNK-Waters-WA002714
RECORD_TITLE: Isoprenaline; LC-ESI-Q; MS; POS; 60 V, 75 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 60 V, 75 V

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

PK$SPLASH: splash10-0a4i-0900000000-ebd70cd4183c562b2da0
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  106 215 215
  107 999 999
  108 55 55
  109 129 129
  110 12 12
  117 16 16
  118 16 16
  123 16 16
  125 12 12
  134 125 125
  135 329 329
  136 20 20
  148 35 35
  152 204 204
  153 20 20
  194 35 35
  212 24 24
//