MassBank Record: WA001349



 Amidopyrine; LC-ESI-Q; MS; POS; 30 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001349
RECORD_TITLE: Amidopyrine; LC-ESI-Q; MS; POS; 30 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$NAME: Amidopyrine CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H17N3O CH$EXACT_MASS: 231.13716 CH$SMILES: CN(C)C(=C(C)1)C(=O)N(c(c2)cccc2)N(C)1 CH$IUPAC: InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3 CH$LINK: CAS 58-15-1
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 10.790 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 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0920000000-d8de696b5e078acf920e PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 100 8 8 106 8 8 111 400 400 112 20 20 113 999 999 114 63 63 118 24 24 127 12 12 139 43 43 149 24 24 159 39 39 175 8 8 177 16 16 187 35 35 188 16 16 232 313 313 233 47 47 254 27 27 //