MassBank Record: MSBNK-Waters-WA002715
ACCESSION: MSBNK-Waters-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: 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 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
//