ACCESSION: MSBNK-Waters-WA002697
RECORD_TITLE: Ifenprodil; 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$NAME: Ifenprodil
CH$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 45 V

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

PK$SPLASH: splash10-056r-0309000000-9fb0f0140abba8c69408
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  105 16 16
  133 47 47
  135 31 31
  151 78 78
  174 39 39
  176 498 498
  177 59 59
  217 12 12
  232 24 24
  308 999 999
  309 223 223
  310 24 24
  326 803 803
  327 184 184
  328 24 24
  340 43 43
//