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MassBank Record: WA000616

Triamterene; LC-ESI-Q; MS; POS; 60 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA000616
RECORD_TITLE: Triamterene; 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: 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 60 V

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

PK$SPLASH: splash10-0udi-0090000000-039ac6591d90828c42c0
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  104 20 20
  143 8 8
  168 8 8
  195 27 27
  210 16 16
  212 35 35
  227 12 12
  237 364 364
  238 35 35
  254 999 999
  255 102 102
  256 8 8
  278 8 8
//

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