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MassBank Record: WA001865

Carpipramine; LC-ESI-Q; MS; POS; 60 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: 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
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  139 35 35
  141 999 999
  142 388 388
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  252 172 172
  253 31 31
  402 24 24
  447 172 172
  448 51 51
//

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