MassBank Record: MSBNK-Waters-WA002631
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
//
system version 2.2.8-SNAPSHOT