ACCESSION: MSBNK-Waters-WA001273
RECORD_TITLE: Lamotrigine; 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$NAME: Lamotrigine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₇Cl₂N₅
CH$EXACT_MASS: 255.00785
CH$SMILES: Nc(n2)nc(N)c(n2)c(c1)c(Cl)c(Cl)cc1
CH$IUPAC: InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
CH$LINK: CAS 84057-84-1
CH$LINK: INCHIKEY PYZRQGJRPPTADH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2023195

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 11.700 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$SPLASH: splash10-0a4i-0090010000-d03b7ea9b497e504c36f
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  222 12 12
  256 999 999
  257 43 43
  258 686 686
  259 47 47
  260 121 121
  261 8 8
  511 71 71
  513 106 106
  514 8 8
  515 55 55
  516 8 8
  517 12 12
//