ACCESSION: MSBNK-Waters-WA002213
RECORD_TITLE: Olanzapine; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-08fr-0069000000-d233a6e973815b939704
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  213 12 12
  229 12 12
  230 51 51
  256 654 654
  257 82 82
  258 35 35
  282 47 47
  313 999 999
  314 180 180
  315 59 59
//