ACCESSION: MSBNK-Waters-WA002046
RECORD_TITLE: Nialamide; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-0kmi-0900000000-e0eecf2ad1e37064d5c3
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  105 102 102
  106 560 560
  107 59 59
  108 43 43
  119 43 43
  121 584 584
  122 78 78
  123 337 337
  124 31 31
  132 212 212
  133 12 12
  138 505 505
  139 24 24
  150 999 999
  151 59 59
  162 82 82
  164 71 71
  174 12 12
  192 298 298
  193 20 20
  228 24 24
  240 39 39
  299 71 71
  321 157 157
  322 20 20
//