ACCESSION: MSBNK-Waters-WA002631
RECORD_TITLE: Nifuroxazide; LC-ESI-Q; MS; POS; 30 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 30 V

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

PK$SPLASH: splash10-004i-0692000000-4659f32532bb57d1a0e4
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  100 121 121
  101 121 121
  104 12 12
  121 552 552
  122 55 55
  276 999 999
  277 133 133
  278 20 20
  314 282 282
  315 31 31
  316 24 24
//