ACCESSION: MSBNK-Waters-WA002211
RECORD_TITLE: Olanzapine; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-0bt9-0390000000-501b27ff9dd53279a2bc
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  101 24 24
  117 12 12
  119 12 12
  133 16 16
  155 12 12
  169 188 188
  170 20 20
  173 27 27
  179 31 31
  180 196 196
  181 24 24
  182 12 12
  186 94 94
  187 16 16
  195 35 35
  196 20 20
  198 501 501
  199 51 51
  200 39 39
  212 114 114
  213 615 615
  214 78 78
  215 86 86
  222 71 71
  223 63 63
  224 35 35
  225 16 16
  226 12 12
  227 51 51
  228 31 31
  229 27 27
  230 27 27
  239 55 55
  240 20 20
  241 35 35
  242 31 31
  254 24 24
  256 999 999
  257 133 133
  258 51 51
  270 12 12
  282 239 239
  283 35 35
  284 12 12
  313 24 24
//