MassBank Record: MSBNK-Waters-WA002714
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
//