MassBank Record: WA000614



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

ACCESSION: WA000614
RECORD_TITLE: Triamterene; LC-ESI-Q; MS; POS; 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$NAME: Triamterene CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H11N7 CH$EXACT_MASS: 253.10759 CH$SMILES: Nc(n3)nc(n1)c(c(N)3)nc(c(c2)cccc2)c(N)1 CH$IUPAC: InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19) CH$LINK: CAS 396-01-0
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 10.900 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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0udi-0930000000-b0e6ca22cc4b8736746e PK$NUM_PEAK: 53 PK$PEAK: m/z int. rel.int. 103 8 8 104 999 999 105 51 51 107 31 31 114 8 8 116 325 325 117 27 27 118 27 27 122 8 8 128 12 12 129 24 24 131 71 71 132 12 12 133 8 8 134 39 39 141 357 357 142 67 67 143 239 239 144 24 24 145 86 86 146 8 8 153 12 12 157 59 59 158 16 16 159 8 8 166 20 20 168 384 384 169 43 43 170 16 16 182 24 24 183 82 82 184 24 24 185 67 67 186 16 16 193 47 47 195 255 255 196 27 27 198 8 8 209 8 8 210 153 153 211 12 12 212 74 74 213 16 16 220 51 51 227 16 16 234 12 12 236 12 12 237 462 462 238 51 51 252 8 8 254 435 435 255 47 47 278 8 8 //