MassBank Record: WA002715



 Isoprenaline; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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: Copyright 2007-2011 Nihon Waters K.K.

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$LINK: CAS 7683-59-2
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 2.680 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$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 //