ACCESSION: MSBNK-Waters-WA002694
RECORD_TITLE: Ifenprodil; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-0a4i-0900000000-0b4be44373e9be20ab40
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  103 227 227
  105 846 846
  106 27 27
  107 999 999
  108 94 94
  109 125 125
  110 24 24
  115 243 243
  116 71 71
  117 454 454
  118 180 180
  119 31 31
  120 180 180
  121 110 110
  122 12 12
  128 12 12
  129 110 110
  130 31 31
  131 196 196
  132 102 102
  133 157 157
  134 27 27
  135 71 71
  144 31 31
  145 35 35
  146 67 67
  147 39 39
  148 39 39
  150 24 24
  151 12 12
  159 12 12
  160 31 31
  161 12 12
  162 31 31
  164 12 12
  174 110 110
  175 12 12
  176 149 149
  177 20 20
  186 24 24
  187 16 16
  200 20 20
  202 35 35
  292 43 43
  293 31 31
  308 55 55
  326 180 180
  327 39 39
//