MassBank Record: MSBNK-Waters-WA000957
ACCESSION: MSBNK-Waters-WA000957
RECORD_TITLE: 10,11-Dihydro-10-Hydroxycarbazepine; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: 10,11-Dihydro-10-Hydroxycarbazepine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H14N2O2
CH$EXACT_MASS: 254.10553
CH$SMILES: NC(=O)N(c21)c(c3)c(ccc3)C(O)Cc(cccc2)1
CH$IUPAC: InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)
CH$LINK: CAS
29331-92-8
CH$LINK: INCHIKEY
BMPDWHIDQYTSHX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID50865484
AC$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$CHROMATOGRAPHY: RETENTION_TIME 12.680 min
AC$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: splash10-0a4i-0090010000-b94fa9088ddf310a8525
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
163 43 43
194 20 20
226 16 16
237 521 521
238 78 78
255 999 999
256 149 149
257 16 16
277 24 24
293 20 20
300 12 12
323 12 12
509 215 215
510 67 67
511 12 12
531 55 55
532 20 20
547 8 8
//
system version 2.2.6-SNAPSHOT