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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)

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: 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.
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//

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