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MassBank Record: WA000341

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

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

ACCESSION: WA000341
RECORD_TITLE: Phenindione; 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$NAME: Phenindione
CH$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 75 V

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

PK$SPLASH: splash10-004i-0910000000-4e9b1504640a7ef68e5d
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  101 8 8
  102 8 8
  104 24 24
  105 35 35
  106 8 8
  109 8 8
  117 24 24
  119 20 20
  120 27 27
  123 27 27
  128 8 8
  132 8 8
  135 8 8
  137 8 8
  142 8 8
  145 16 16
  151 306 306
  152 129 129
  153 12 12
  157 8 8
  163 8 8
  165 102 102
  166 24 24
  167 27 27
  176 999 999
  177 690 690
  178 153 153
  179 35 35
  185 12 12
  194 90 90
  195 43 43
  203 8 8
  205 435 435
  206 74 74
  223 12 12
//

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