ACCESSION: MSBNK-Waters-WA002901
RECORD_TITLE: Carbamazepine 10,11-epoxide; LC-ESI-Q; MS; POS; 90 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 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-001i-0900000000-864fc3dd24475bc2d416
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  115 8 8
  127 8 8
  128 20 20
  129 8 8
  139 8 8
  140 8 8
  151 24 24
  152 184 184
  153 47 47
  154 16 16
  155 8 8
  165 31 31
  166 20 20
  167 157 157
  168 20 20
  169 12 12
  177 8 8
  178 71 71
  179 133 133
  180 999 999
  181 133 133
  182 31 31
  191 12 12
  192 27 27
  193 24 24
  275 8 8
  527 8 8
//