ACCESSION: MSBNK-Waters-WA001864
RECORD_TITLE: Carpipramine; LC-ESI-Q; MS; POS; 75 V, 90 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 75 V, 90 V

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

PK$SPLASH: splash10-01ox-0920000000-f5db46e539642740c995
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  112 846 846
  113 51 51
  138 137 137
  139 106 106
  141 999 999
  142 443 443
  208 223 223
  209 35 35
  222 98 98
  252 266 266
  253 43 43
  447 137 137
//