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
//