ACCESSION: MSBNK-Waters-WA002416
RECORD_TITLE: Zipeprol; LC-ESI-Q; MS; POS; 15 V, 30 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 15 V, 30 V

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

PK$SPLASH: splash10-000i-0009000000-42aaa2db3074345f8744
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  221 12 12
  353 39 39
  355 12 12
  385 999 999
  386 215 215
  387 27 27
//