ACCESSION: MSBNK-Waters-WA002413
RECORD_TITLE: Zipeprol; 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$NAME: Zipeprol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₃₂N₂O₃
CH$EXACT_MASS: 384.24129
CH$SMILES: COC(CN(C3)CCN(C3)CC(O)C(OC)c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C23H32N2O3/c1-27-22(19-9-5-3-6-10-19)18-25-15-13-24(14-16-25)17-21(26)23(28-2)20-11-7-4-8-12-20/h3-12,21-23,26H,13-18H2,1-2H3
CH$LINK: CAS 34758-83-3
CH$LINK: INCHIKEY VSTNNAYSCJQCQI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00865732

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 13.590 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 75 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0fk9-0920000000-1b59f090ee330ab276a9
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  103 67 67
  105 404 404
  106 24 24
  110 16 16
  111 90 90
  113 27 27
  115 27 27
  117 98 98
  118 16 16
  119 16 16
  121 999 999
  122 67 67
  129 27 27
  130 20 20
  131 31 31
  132 20 20
  133 24 24
  135 94 94
  144 43 43
  146 43 43
  147 12 12
  158 67 67
  160 94 94
  161 12 12
  172 12 12
  173 20 20
  176 16 16
  186 31 31
  187 20 20
  188 39 39
  189 12 12
  201 513 513
  202 78 78
  203 12 12
  233 133 133
  234 16 16
  248 27 27
  385 20 20
//