MassBank Record: MSBNK-Waters-WA000929
ACCESSION: MSBNK-Waters-WA000929
RECORD_TITLE: Bisoprolol; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Bisoprolol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H31NO4
CH$EXACT_MASS: 325.22531
CH$SMILES: CC(C)OCCOCc(c1)ccc(OCC(O)CNC(C)C)c1
CH$IUPAC: InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3
CH$LINK: CAS
66722-44-9
CH$LINK: INCHIKEY
VHYCDWMUTMEGQY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6022682
AC$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$CHROMATOGRAPHY: RETENTION_TIME 12.350 min
AC$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
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-066r-0900000000-e4cfde91b30fda64bbc7
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
103 12 12
105 129 129
107 607 607
108 43 43
115 20 20
116 999 999
117 86 86
118 20 20
119 78 78
121 67 67
133 82 82
134 16 16
137 8 8
144 8 8
145 59 59
147 51 51
148 8 8
162 27 27
163 12 12
204 8 8
326 200 200
327 39 39
//