MassBank Record: MSBNK-Waters-WA001950
ACCESSION: MSBNK-Waters-WA001950
RECORD_TITLE: Carteolol; 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$NAME: Carteolol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H24N2O3
CH$EXACT_MASS: 292.17869
CH$SMILES: OC(CNC(C)(C)C)COc(c2)c(C1)c(cc2)NC(=O)C1
CH$IUPAC: InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)
CH$LINK: CAS
51781-06-7
CH$LINK: INCHIKEY
LWAFSWPYPHEXKX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3022746
AC$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$CHROMATOGRAPHY: RETENTION_TIME 10.590 min
AC$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: splash10-0f79-0290000000-6e24299c7539c86643b8
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
115 8 8
122 20 20
130 8 8
133 8 8
160 24 24
164 302 302
165 27 27
174 59 59
176 71 71
177 8 8
190 121 121
191 12 12
202 748 748
203 94 94
220 16 16
237 999 999
238 125 125
239 12 12
278 12 12
293 219 219
294 35 35
//
system version 2.2.6-SNAPSHOT