MassBank Record: MSBNK-Waters-WA000890
ACCESSION: MSBNK-Waters-WA000890
RECORD_TITLE: Norclobazam; 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$NAME: Norclobazam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H11ClN2O2
CH$EXACT_MASS: 286.05091
CH$SMILES: O=C(C2)Nc(c3)c(cc(Cl)c3)N(C(=O)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H11ClN2O2/c16-10-6-7-12-13(8-10)18(11-4-2-1-3-5-11)15(20)9-14(19)17-12/h1-8H,9H2,(H,17,19)
CH$LINK: CAS
22316-55-8
CH$LINK: INCHIKEY
RRTVVRIFVKKTJK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40176859
AC$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$CHROMATOGRAPHY: RETENTION_TIME 15.400 min
AC$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: splash10-000b-0091000000-db840829bc8540a4f273
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
117 12 12
211 12 12
219 12 12
245 999 999
246 102 102
247 353 353
248 20 20
269 12 12
287 968 968
288 133 133
289 345 345
290 31 31
304 8 8
309 161 161
310 20 20
311 59 59
325 24 24
327 8 8
328 35 35
330 12 12
350 63 63
351 8 8
352 24 24
//
system version 2.2.6-SNAPSHOT