MassBank Record: MSBNK-Waters-WA000340
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.
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184 133 133
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194 12 12
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206 12 12
207 8 8
211 8 8
223 8 8
//