MassBank Record: MSBNK-Waters-WA001244
ACCESSION: MSBNK-Waters-WA001244
RECORD_TITLE: Metoprolol; 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$NAME: Metoprolol
CH$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 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-107i-0900000000-0427e57e354d0cd8c9e3
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
100 20 20
102 24 24
103 999 999
104 12 12
105 831 831
106 43 43
107 71 71
109 8 8
115 165 165
116 188 188
117 71 71
118 192 192
119 51 51
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147 27 27
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151 12 12
157 8 8
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160 12 12
161 12 12
163 27 27
165 16 16
174 8 8
175 8 8
176 12 12
191 31 31
268 90 90
269 8 8
//