ACCESSION: MSBNK-Waters-WA002048
RECORD_TITLE: Nialamide; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Nialamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₈N₄O₂
CH$EXACT_MASS: 298.14298
CH$SMILES: O=C(CCNNC(=O)c(c2)ccnc2)NCc(c1)cccc1
CH$IUPAC: InChI=1S/C16H18N4O2/c21-15(18-12-13-4-2-1-3-5-13)8-11-19-20-16(22)14-6-9-17-10-7-14/h1-7,9-10,19H,8,11-12H2,(H,18,21)(H,20,22)
CH$LINK: CAS 51-12-7
CH$LINK: INCHIKEY NOIIUHRQUVNIDD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1023362

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 11.730 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 30 V

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

PK$SPLASH: splash10-0002-0392000000-acaffef8f2e9fb367bef
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  108 16 16
  138 102 102
  150 31 31
  162 43 43
  192 161 161
  193 12 12
  228 16 16
  240 16 16
  299 999 999
  300 145 145
  301 12 12
  321 94 94
  322 12 12
  337 27 27
//