MassBank Record: MSBNK-Waters-WA002718
ACCESSION: MSBNK-Waters-WA002718
RECORD_TITLE: Isoprenaline; LC-ESI-Q; MS; NEG; 30 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$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$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 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0490000000-0f9e09b735c390413005
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
101 20 20
109 20 20
111 27 27
113 51 51
129 12 12
140 16 16
148 12 12
155 27 27
157 12 12
191 12 12
192 435 435
193 35 35
210 999 999
211 141 141
222 27 27
224 16 16
240 47 47
246 31 31
247 20 20
248 12 12
253 20 20
//