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MassBank Record: WA001192

Amiloride; LC-ESI-Q; MS; POS; 75 V

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

ACCESSION: WA001192
RECORD_TITLE: Amiloride; 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$NAME: Amiloride
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H8ClN7O
CH$EXACT_MASS: 229.04789
CH$SMILES: NC(=N)NC(=O)c(n1)c(N)nc(N)c(Cl)1
CH$IUPAC: InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
CH$LINK: CAS 2609-46-3
CH$LINK: INCHIKEY XSDQTOBWRPYKKA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9043853

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 5.000 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$SPLASH: splash10-0159-0930000000-87d04be2b9686539fe19
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  118 999 999
  119 24 24
  125 16 16
  126 51 51
  130 8 8
  143 137 137
  144 24 24
  145 43 43
  149 12 12
  154 8 8
  157 20 20
  159 8 8
  161 368 368
  162 12 12
  163 129 129
  171 192 192
  173 55 55
  184 12 12
  189 309 309
  191 86 86
  198 24 24
  213 8 8
  216 16 16
  226 8 8
  230 721 721
  231 16 16
  232 247 247
  234 24 24
  252 8 8
//

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