MassBank Record: MSBNK-Waters-WA002212
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
//