MassBank Record: MSBNK-Waters-WA002905
ACCESSION: MSBNK-Waters-WA002905
RECORD_TITLE: Carbamazepine 10,11-epoxide; 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$NAME: Carbamazepine 10,11-epoxide
CH$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 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0udi-0090000000-a268ea3316f758a6de42
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
180 227 227
181 31 31
182 35 35
208 47 47
210 537 537
211 67 67
225 20 20
236 537 537
237 78 78
253 999 999
254 419 419
255 51 51
275 59 59
276 8 8
291 35 35
505 31 31
506 12 12
527 63 63
528 12 12
//