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MassBank Record: WA002050

Nialamide; LC-ESI-Q; MS; NEG; 30 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA002050
RECORD_TITLE: Nialamide; LC-ESI-Q; MS; NEG; 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 NEGATIVE
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$SPLASH: splash10-0002-0190000000-e42d6c90b27b1a6b8454
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  111 12 12
  136 172 172
  297 999 999
  298 180 180
  329 12 12
  333 35 35
  335 31 31
//

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