ACCESSION: MSBNK-Waters-WA000340
RECORD_TITLE: Phenindione; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-0fb9-0900000000-4ede8689e107a2f4d04e
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  102 12 12
  103 20 20
  105 27 27
  107 12 12
  109 16 16
  115 16 16
  119 12 12
  120 35 35
  127 16 16
  128 16 16
  133 8 8
  135 8 8
  139 8 8
  146 8 8
  150 78 78
  151 568 568
  152 137 137
  153 12 12
  163 8 8
  165 153 153
  166 39 39
  167 8 8
  175 12 12
  176 999 999
  177 251 251
  178 71 71
  179 27 27
  180 8 8
  184 133 133
  185 16 16
  192 8 8
  193 16 16
  194 12 12
  199 8 8
  203 8 8
  205 35 35
  206 12 12
  207 8 8
  211 8 8
  223 8 8
//