ACCESSION: MSBNK-Waters-WA002212
RECORD_TITLE: Olanzapine; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Olanzapine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₀N₄S
CH$EXACT_MASS: 312.14087
CH$SMILES: CN(C4)CCN(C4)C(=N1)c(c3)c(sc(C)3)Nc(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
CH$LINK: CAS 132539-06-1
CH$LINK: INCHIKEY KVWDHTXUZHCGIO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9023388

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 10.350 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 60 V

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

PK$SPLASH: splash10-0a4i-0090000000-644e16a12c6472db4291
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  169 12 12
  180 12 12
  198 35 35
  213 161 161
  214 16 16
  215 27 27
  223 16 16
  229 12 12
  230 47 47
  239 24 24
  242 16 16
  256 999 999
  257 125 125
  258 51 51
  282 137 137
  283 24 24
  313 137 137
  314 27 27
//