ACCESSION: MSBNK-Waters-WA000615
RECORD_TITLE: Triamterene; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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$LINK: CAS 396-01-0
CH$LINK: INCHIKEY FNYLWPVRPXGIIP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021373

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 10.900 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0udr-0590000000-91ea503635152423ab25
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  104 419 419
  105 16 16
  107 12 12
  116 55 55
  131 12 12
  134 16 16
  141 43 43
  142 8 8
  143 141 141
  144 8 8
  145 47 47
  157 12 12
  158 8 8
  168 196 196
  169 20 20
  183 35 35
  184 8 8
  185 47 47
  186 8 8
  193 16 16
  195 223 223
  196 20 20
  210 137 137
  211 8 8
  212 118 118
  213 31 31
  220 39 39
  221 8 8
  227 35 35
  234 8 8
  236 12 12
  237 999 999
  238 102 102
  254 737 737
  255 78 78
  256 8 8
  278 20 20
//