ACCESSION: MSBNK-Waters-WA002045
RECORD_TITLE: Nialamide; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Nialamide
CH$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 75 V, 90 V

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

PK$SPLASH: splash10-05fr-0900000000-78c6c7b78d753b577cd5
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  105 419 419
  106 490 490
  107 78 78
  108 20 20
  119 137 137
  121 999 999
  122 94 94
  123 576 576
  124 43 43
  132 157 157
  137 24 24
  138 168 168
  150 470 470
  151 31 31
  162 16 16
  164 27 27
  192 39 39
  299 24 24
  321 51 51
//