MassBank Record: MSBNK-Waters-WA001246
ACCESSION: MSBNK-Waters-WA001246
RECORD_TITLE: Metoprolol; 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$NAME: Metoprolol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H25NO3
CH$EXACT_MASS: 267.18344
CH$SMILES: COCCc(c1)ccc(OCC(O)CNC(C)C)c1
CH$IUPAC: InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
CH$LINK: CAS
37350-58-6
CH$LINK: INCHIKEY
IUBSYMUCCVWXPE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2023309
AC$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$CHROMATOGRAPHY: RETENTION_TIME 11.900 min
AC$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: splash10-014i-0970000000-f317fe4a6cbb822ce323
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
105 12 12
116 552 552
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119 8 8
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122 8 8
131 35 35
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135 16 16
144 8 8
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177 47 47
179 12 12
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192 20 20
194 47 47
218 47 47
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238 12 12
250 20 20
268 999 999
269 153 153
270 16 16
//