ACCESSION: MSBNK-Waters-WA001906
RECORD_TITLE: Niaprazine; 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$NAME: Niaprazine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₅FN₄O
CH$EXACT_MASS: 356.20124
CH$SMILES: Fc(c3)ccc(c3)N(C1)CCN(CCC(C)NC(=O)c(c2)cncc2)C1
CH$IUPAC: InChI=1S/C20H25FN4O/c1-16(23-20(26)17-3-2-9-22-15-17)8-10-24-11-13-25(14-12-24)19-6-4-18(21)5-7-19/h2-7,9,15-16H,8,10-14H2,1H3,(H,23,26)
CH$LINK: CAS 27367-90-4
CH$LINK: INCHIKEY RSKQGBFMNPDPLR-UHFFFAOYSA-N

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 11.600 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$SPLASH: splash10-056r-0901000000-5a295e0cde8a50594ca5
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  106 466 466
  107 27 27
  108 8 8
  123 16 16
  149 313 313
  150 31 31
  177 999 999
  178 145 145
  179 16 16
  181 16 16
  193 24 24
  357 192 192
  358 47 47
  359 8 8
//