ACCESSION: MSBNK-Waters-WA001865
RECORD_TITLE: Carpipramine; 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$NAME: Carpipramine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₈H₃₈N₄O
CH$EXACT_MASS: 446.30456
CH$SMILES: C(N1CCCN(c45)c(c(CCc4cccc5)3)cccc3)CC(N(C2)CCCC2)(CC1)C(N)=O
CH$IUPAC: InChI=1S/C28H38N4O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33)
CH$LINK: CAS 5942-95-0
CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40208149

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 15.580 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$SPLASH: splash10-0006-0910100000-5936783dc0edf2f704ad
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  112 204 204
  128 114 114
  130 313 313
  131 24 24
  139 35 35
  141 999 999
  142 388 388
  208 39 39
  252 172 172
  253 31 31
  402 24 24
  447 172 172
  448 51 51
//