MassBank Record: WA002714



 Isoprenaline; LC-ESI-Q; MS; POS; 60 V, 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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: 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 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 //