ACCESSION: MSBNK-Waters-WA002695
RECORD_TITLE: Ifenprodil; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-0a4i-0901000000-93ac5cb8febb508fcfe4
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  103 78 78
  105 999 999
  106 31 31
  107 909 909
  108 55 55
  109 255 255
  110 35 35
  115 63 63
  116 12 12
  117 537 537
  118 63 63
  120 98 98
  121 74 74
  129 59 59
  131 196 196
  132 59 59
  133 353 353
  134 27 27
  135 259 259
  136 24 24
  144 12 12
  145 31 31
  146 24 24
  147 16 16
  148 27 27
  150 47 47
  151 43 43
  159 12 12
  162 27 27
  163 12 12
  164 12 12
  174 223 223
  175 24 24
  176 717 717
  177 90 90
  186 24 24
  202 35 35
  217 12 12
  292 39 39
  293 118 118
  294 27 27
  308 400 400
  309 94 94
  310 12 12
  326 153 153
  327 31 31
  340 12 12
//