MassBank Record: MSBNK-Waters-WA002906
ACCESSION: MSBNK-Waters-WA002906
RECORD_TITLE: Carbamazepine 10,11-epoxide; LC-ESI-Q; MS; POS; 15 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 15 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0udi-0090020000-2b31c9fc6eb76eb49a49
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
210 63 63
211 8 8
225 16 16
236 74 74
237 8 8
253 999 999
254 212 212
255 20 20
275 8 8
291 12 12
298 8 8
321 12 12
505 282 282
506 94 94
507 12 12
527 55 55
528 16 16
543 12 12
//
system version 2.2.6-SNAPSHOT