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
  120 31 31
  121 568 568
  122 39 39
  124 8 8
  128 31 31
  129 55 55
  131 153 153
  133 490 490
  134 35 35
  135 63 63
  136 8 8
  141 39 39
  142 12 12
  144 165 165
  145 16 16
  147 27 27
  148 102 102
  149 16 16
  151 12 12
  157 8 8
  159 90 90
  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
//