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MassBank Record: MSBNK-Waters-WA002698

Ifenprodil; LC-ESI-Q; MS; POS; 15 V, 30 V

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

ACCESSION: MSBNK-Waters-WA002698
RECORD_TITLE: Ifenprodil; 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$NAME: Ifenprodil
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H27NO2
CH$EXACT_MASS: 325.20418
CH$SMILES: Oc(c3)ccc(c3)C(O)C(C)N(C2)CCC(C2)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3
CH$LINK: CAS 23210-56-2
CH$LINK: INCHIKEY UYNVMODNBIQBMV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2045656

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 14.050 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$SPLASH: splash10-004i-0009000000-411946f2a50d11abae65
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  326 999 999
  327 231 231
  328 27 27
  340 20 20
//

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