ACCESSION: MSBNK-Waters-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
  101 102 102
  117 16 16
  142 16 16
  159 12 12
  177 404 404
  178 47 47
  194 16 16
  215 78 78
  216 12 12
  217 16 16
  276 999 999
  277 137 137
  278 24 24
  293 141 141
  294 20 20
  314 721 721
  315 90 90
  316 59 59
//