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MassBank Record: WA000344

Phenindione; LC-ESI-Q; MS; POS; 30 V

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

ACCESSION: WA000344
RECORD_TITLE: Phenindione; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Phenindione
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H10O2
CH$EXACT_MASS: 222.06808
CH$SMILES: c(c3)ccc(c3)C(C(=O)1)C(=O)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H
CH$LINK: CAS 83-12-5
CH$LINK: INCHIKEY NFBAXHOPROOJAW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5023453

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 16.140 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 30 V

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

PK$SPLASH: splash10-00di-0190000000-230cf6e122370cc19564
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  101 8 8
  109 8 8
  112 8 8
  141 27 27
  143 8 8
  146 12 12
  153 12 12
  158 67 67
  159 20 20
  167 8 8
  178 8 8
  195 20 20
  198 16 16
  201 8 8
  205 20 20
  214 74 74
  216 8 8
  217 8 8
  223 999 999
  224 180 180
  225 20 20
  230 31 31
  231 24 24
  236 16 16
  240 20 20
  242 8 8
  245 39 39
  246 8 8
//

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