MassBank Record: WA001346



 Amidopyrine; LC-ESI-Q; MS; POS; 75 V, 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001346
RECORD_TITLE: Amidopyrine; LC-ESI-Q; MS; POS; 75 V, 90 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 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0rk9-0900000000-c4477c816d9bfb407768 PK$NUM_PEAK: 60 PK$PEAK: m/z int. rel.int. 101 24 24 103 51 51 104 568 568 105 90 90 106 999 999 107 31 31 108 16 16 111 513 513 112 27 27 113 59 59 115 59 59 116 20 20 117 145 145 118 670 670 119 106 106 120 51 51 123 266 266 124 24 24 127 8 8 128 121 121 129 35 35 130 63 63 131 39 39 132 407 407 133 67 67 134 59 59 141 133 133 142 27 27 143 137 137 144 35 35 145 27 27 146 35 35 147 31 31 149 24 24 156 16 16 157 24 24 158 27 27 159 51 51 160 8 8 161 24 24 163 43 43 171 8 8 172 20 20 173 27 27 177 12 12 179 8 8 185 55 55 186 8 8 187 16 16 199 59 59 200 8 8 201 12 12 202 24 24 203 67 67 210 16 16 216 55 55 217 8 8 221 78 78 222 16 16 232 31 31 //