MassBank Record: MSBNK-Waters-WA001305
ACCESSION: MSBNK-Waters-WA001305
RECORD_TITLE: Clobazam; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Clobazam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H13ClN2O2
CH$EXACT_MASS: 300.06656
CH$SMILES: Clc(c3)cc(c(c3)2)N(C(=O)CC(=O)N(C)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
CH$LINK: CAS
22316-47-8
CH$LINK: INCHIKEY
CXOXHMZGEKVPMT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2046759
AC$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$CHROMATOGRAPHY: RETENTION_TIME 16.400 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0pb9-0096000000-bdfb5f0fce7e9034babd
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
233 12 12
259 999 999
260 118 118
261 349 349
262 39 39
301 603 603
302 86 86
303 219 219
304 31 31
323 39 39
324 8 8
325 16 16
339 16 16
341 8 8
342 12 12
//
system version 2.2.6-SNAPSHOT