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MassBank Record: WA002632

Nifuroxazide; LC-ESI-Q; MS; POS; 15 V

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

ACCESSION: WA002632
RECORD_TITLE: Nifuroxazide; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Nifuroxazide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H9N3O5
CH$EXACT_MASS: 275.05422
CH$SMILES: Oc(c2)ccc(c2)C(=O)NN=Cc(c1)oc(N(=O)=O)c1
CH$IUPAC: InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+
CH$LINK: CAS 965-52-6
CH$LINK: INCHIKEY YCWSUKQGVSGXJO-NTUHNPAUSA-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 15.490 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 15 V

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

PK$SPLASH: splash10-004i-0495000000-1355fd907b120a6f0619
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  100 24 24
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  117 16 16
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  177 404 404
  178 47 47
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  215 78 78
  216 12 12
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  276 999 999
  277 137 137
  278 24 24
  293 141 141
  294 20 20
  314 721 721
  315 90 90
  316 59 59
//

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