ACCESSION: MSBNK-Waters-WA002415
RECORD_TITLE: Zipeprol; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-000i-0169000000-7db9138f20034299c408
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  121 251 251
  122 12 12
  188 35 35
  189 20 20
  201 262 262
  202 31 31
  203 24 24
  233 615 615
  234 74 74
  248 24 24
  321 20 20
  353 118 118
  354 24 24
  355 12 12
  385 999 999
  386 255 255
  387 27 27
//