MassBank Record: MSBNK-Waters-WA001110
ACCESSION: MSBNK-Waters-WA001110
RECORD_TITLE: Propranolol; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Propranolol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H21NO2
CH$EXACT_MASS: 259.15723
CH$SMILES: CC(C)NCC(O)COc(c1)c(c2)c(ccc2)cc1
CH$IUPAC: InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
CH$LINK: CAS
525-66-6
CH$LINK: INCHIKEY
AQHHHDLHHXJYJD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6023525
AC$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$CHROMATOGRAPHY: RETENTION_TIME 12.650 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-05r0-0900000000-8b0b09f24c3e5410d63f
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
100 94 94
101 8 8
115 505 505
116 180 180
117 200 200
127 235 235
128 599 599
129 999 999
130 12 12
140 12 12
141 82 82
143 35 35
144 24 24
145 427 427
146 31 31
152 27 27
153 368 368
154 114 114
155 729 729
156 71 71
157 317 317
158 35 35
165 247 247
166 31 31
168 172 172
169 35 35
171 16 16
181 16 16
182 20 20
183 78 78
184 8 8
260 129 129
261 31 31
//