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MassBank Record: WA000114

Naproanilide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: WA000114
RECORD_TITLE: Naproanilide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Naproanilide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H17NO2
CH$EXACT_MASS: 291.12593
CH$SMILES: O=C(Nc(c3)cccc3)C(C)Oc(c1)cc(c2)c(ccc2)c1
CH$IUPAC: InChI=1S/C19H17NO2/c1-14(19(21)20-17-9-3-2-4-10-17)22-18-12-11-15-7-5-6-8-16(15)13-18/h2-14H,1H3,(H,20,21)
CH$LINK: CAS 52570-16-8
CH$LINK: INCHIKEY LVKTWOXHRYGDMM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8058118

AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 292.2
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-00dl-1900000000-be1bfec285ecdef96749
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  55 35 35
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  120 999 999
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  126 35 35
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  172 8 8
//

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