MassBank Record: MSBNK-Waters-WA002902
ACCESSION: MSBNK-Waters-WA002902
RECORD_TITLE: Carbamazepine 10,11-epoxide; 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$NAME: Carbamazepine 10,11-epoxide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H12N2O2
CH$EXACT_MASS: 252.08988
CH$SMILES: NC(=O)N(c32)c(c4)c(ccc4)C(O1)C1c(cccc3)2
CH$IUPAC: InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18)
CH$LINK: CAS
36507-30-9
CH$LINK: INCHIKEY
ZRWWEEVEIOGMMT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID60891456
AC$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$CHROMATOGRAPHY: RETENTION_TIME 13.400 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-001i-0900000000-a9fd570bcdd01053fd6f
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
152 47 47
153 16 16
165 24 24
167 125 125
168 16 16
178 16 16
179 27 27
180 999 999
181 149 149
182 141 141
183 16 16
192 8 8
193 20 20
208 8 8
210 31 31
275 8 8
527 8 8
//