ACCESSION: MSBNK-Waters-WA000343
RECORD_TITLE: Phenindione; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-05fr-0390000000-52f4ba8d76ddabcc82f8
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  104 24 24
  110 12 12
  120 8 8
  123 20 20
  125 24 24
  141 110 110
  142 8 8
  143 8 8
  158 118 118
  162 8 8
  163 12 12
  167 8 8
  169 8 8
  172 8 8
  177 55 55
  178 12 12
  179 12 12
  183 24 24
  186 8 8
  194 12 12
  195 317 317
  196 43 43
  205 607 607
  206 78 78
  207 8 8
  212 8 8
  214 31 31
  223 999 999
  224 168 168
  225 16 16
  230 59 59
  231 12 12
  235 8 8
  236 24 24
  242 12 12
  245 20 20
//