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MassBank Record: WA000342

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

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

ACCESSION: WA000342
RECORD_TITLE: Phenindione; 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$NAME: Phenindione
CH$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 60 V

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

PK$SPLASH: splash10-0a6r-0890000000-ebc103a4e6e77b920168
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  102 8 8
  104 27 27
  112 20 20
  114 27 27
  118 8 8
  128 8 8
  130 8 8
  141 47 47
  145 27 27
  151 67 67
  152 20 20
  153 8 8
  158 20 20
  165 27 27
  166 12 12
  167 35 35
  170 12 12
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  177 454 454
  178 55 55
  179 35 35
  181 16 16
  182 12 12
  194 51 51
  195 180 180
  196 27 27
  205 999 999
  206 184 184
  207 8 8
  217 8 8
  218 8 8
  223 149 149
  224 24 24
  229 8 8
  241 8 8
  242 8 8
//

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