ACCESSION: MSBNK-Waters-WA001907
RECORD_TITLE: Niaprazine; 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$NAME: Niaprazine
CH$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 45 V

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

PK$SPLASH: splash10-0a6r-0509000000-3c940c016947cd65c9ee
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  106 16 16
  149 27 27
  177 701 701
  178 82 82
  179 8 8
  181 8 8
  357 999 999
  358 235 235
  359 31 31
//