ACCESSION: MSBNK-Waters-WA002414
RECORD_TITLE: Zipeprol; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-0ul0-0691000000-605d271b77e45e6fe2da
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  105 98 98
  111 27 27
  113 12 12
  117 20 20
  121 999 999
  122 63 63
  135 71 71
  144 16 16
  146 16 16
  158 31 31
  160 67 67
  176 12 12
  186 16 16
  187 20 20
  188 110 110
  189 24 24
  190 12 12
  201 979 979
  202 137 137
  203 43 43
  217 12 12
  218 12 12
  231 16 16
  233 815 815
  234 110 110
  248 90 90
  249 12 12
  321 24 24
  353 55 55
  354 16 16
  385 247 247
  386 51 51
//