MassBank Record: MSBNK-Waters-WA002632
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
//
system version 2.2.8-SNAPSHOT