ACCESSION: MSBNK-Waters-WA001904
RECORD_TITLE: Niaprazine; 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$NAME: Niaprazine
CH$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 90 V

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

PK$SPLASH: splash10-0a4i-0900000000-623e9d6043aefb7fb20a
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  106 999 999
  107 82 82
  108 16 16
  122 35 35
  123 35 35
  138 20 20
  149 82 82
  150 35 35
  177 67 67
  178 20 20
  193 8 8
//