MassBank Record: MSBNK-Waters-WA001742
ACCESSION: MSBNK-Waters-WA001742
RECORD_TITLE: 10-Methoxycarbamazepine; 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$NAME: 10-Methoxycarbamazepine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H14N2O2
CH$EXACT_MASS: 266.10553
CH$SMILES: COC(=C1)c(c3)c(ccc3)N(C(N)=O)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C16H14N2O2/c1-20-15-10-11-6-2-4-8-13(11)18(16(17)19)14-9-5-3-7-12(14)15/h2-10H,1H3,(H2,17,19)
CH$LINK: CAS
28721-09-7
CH$LINK: INCHIKEY
PIZOFBKQWNPKDK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90182884
AC$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$CHROMATOGRAPHY: RETENTION_TIME 15.350 min
AC$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: splash10-014i-0090000000-8e396c48df60ef99a679
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
101 8 8
192 8 8
222 106 106
223 20 20
224 172 172
225 16 16
250 172 172
251 20 20
267 999 999
268 184 184
269 20 20
281 8 8
289 71 71
290 12 12
305 27 27
//