MassBank Record: WA001347



 Amidopyrine; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001347
RECORD_TITLE: Amidopyrine; 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: 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0900000000-ddc182a879a2658e6b8f PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 103 8 8 104 98 98 105 12 12 106 439 439 107 47 47 108 27 27 111 999 999 112 43 43 113 266 266 114 27 27 115 24 24 117 24 24 118 290 290 119 27 27 120 16 16 123 86 86 127 8 8 128 35 35 130 31 31 131 12 12 132 270 270 133 51 51 134 47 47 135 74 74 136 8 8 141 39 39 142 8 8 143 8 8 144 12 12 145 8 8 146 43 43 147 27 27 148 12 12 149 82 82 150 8 8 157 8 8 158 16 16 159 94 94 160 20 20 161 8 8 163 12 12 172 8 8 175 8 8 177 20 20 185 16 16 186 8 8 188 16 16 199 16 16 202 27 27 203 8 8 216 39 39 217 12 12 221 8 8 232 8 8 254 16 16 //