MassBank Record: MSBNK-Waters-WA001146
ACCESSION: MSBNK-Waters-WA001146
RECORD_TITLE: Carbamazepine; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Carbamazepine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H12N2O
CH$EXACT_MASS: 236.09496
CH$SMILES: NC(=O)N(c21)c(c3)c(ccc3)C=Cc(cccc2)1
CH$IUPAC: InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
CH$LINK: CAS
298-46-4
CH$LINK: INCHIKEY
FFGPTBGBLSHEPO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4022731
AC$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$CHROMATOGRAPHY: RETENTION_TIME 14.700 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0006-0900000000-91693360c7d0921cf8c2
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
116 24 24
117 12 12
152 51 51
153 8 8
165 137 137
166 39 39
167 90 90
168 16 16
176 12 12
177 35 35
178 27 27
179 215 215
180 27 27
190 24 24
191 78 78
192 388 388
193 474 474
194 999 999
195 125 125
196 8 8
259 16 16
//
system version 2.2.6-SNAPSHOT