MassBank Record: MSBNK-Waters-WA001740
ACCESSION: MSBNK-Waters-WA001740
RECORD_TITLE: 10-Methoxycarbamazepine; LC-ESI-Q; MS; POS; 60 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00dl-0790000000-df5466a7357e27cffc8d
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
165 172 172
166 31 31
167 8 8
179 67 67
180 454 454
181 67 67
182 12 12
192 133 133
193 717 717
194 227 227
195 31 31
204 20 20
207 16 16
208 27 27
209 74 74
210 12 12
221 8 8
222 999 999
223 176 176
224 631 631
225 102 102
226 8 8
249 12 12
250 43 43
267 35 35
289 153 153
290 31 31
//
system version 2.2.6-SNAPSHOT