ACCESSION: MSBNK-Waters-WA002047
RECORD_TITLE: Nialamide; 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$NAME: Nialamide
CH$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 45 V

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

PK$SPLASH: splash10-0f77-0921000000-cd2718f944038d71d44b
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  106 255 255
  107 24 24
  108 110 110
  121 102 102
  122 16 16
  123 39 39
  124 12 12
  132 67 67
  138 811 811
  139 39 39
  150 772 772
  151 47 47
  162 266 266
  163 16 16
  164 59 59
  174 12 12
  176 24 24
  192 999 999
  193 67 67
  208 12 12
  228 110 110
  233 12 12
  240 145 145
  241 12 12
  281 47 47
  282 27 27
  299 787 787
  300 137 137
  321 298 298
  322 39 39
  337 31 31
//