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MassBank Record: WA001922

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

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

ACCESSION: WA001922
RECORD_TITLE: Fenozolone; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Fenozolone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12N2O2
CH$EXACT_MASS: 204.08988
CH$SMILES: CCNC(=N2)OC(C(=O)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H12N2O2/c1-2-12-11-13-10(14)9(15-11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,13,14)
CH$LINK: CAS 15302-16-6
CH$LINK: INCHIKEY RXOIEVSUURELPG-UHFFFAOYSA-N

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 13.040 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$SPLASH: splash10-053r-0900000000-f6cee4601360e5d39504
PK$ANNOTATION: m/z type
  227 [M+Na]+
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  105 12 12
  106 838 838
  107 67 67
  117 8 8
  118 31 31
  127 8 8
  132 24 24
  134 999 999
  135 98 98
  205 8 8
  227 20 20
//

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