MassBank Record: WA002047



 Nialamide; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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: Copyright 2007-2011 Nihon Waters K.K.

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$LINK: CAS 51-12-7
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 11.730 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$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 //