ACCESSION: MSBNK-Waters-WA002696
RECORD_TITLE: Ifenprodil; 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$NAME: Ifenprodil
CH$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 60 V

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

PK$SPLASH: splash10-0a6r-0905000000-190958348ec235564a9a
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  105 255 255
  107 219 219
  109 106 106
  117 145 145
  121 12 12
  129 12 12
  131 43 43
  133 235 235
  134 20 20
  135 204 204
  136 12 12
  150 12 12
  151 106 106
  174 168 168
  176 932 932
  177 118 118
  202 12 12
  217 20 20
  232 16 16
  293 67 67
  294 16 16
  308 999 999
  309 223 223
  310 24 24
  326 153 153
  327 31 31
  340 31 31
//