ACCESSION: MSBNK-Waters-WA002633
RECORD_TITLE: Nifuroxazide; LC-ESI-Q; MS; NEG; 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 NEGATIVE
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$SPLASH: splash10-00di-0190000000-baa7d28acd12bfe42f91
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  107 114 114
  108 12 12
  120 35 35
  129 12 12
  136 24 24
  154 16 16
  165 12 12
  183 12 12
  199 31 31
  227 31 31
  244 24 24
  274 999 999
  275 231 231
  276 12 12
  310 39 39
  312 16 16
//