MassBank Record: MSBNK-Waters-WA002260
ACCESSION: MSBNK-Waters-WA002260
RECORD_TITLE: Trimeprazine; 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$NAME: Trimeprazine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H22N2S
CH$EXACT_MASS: 298.15037
CH$SMILES: CN(C)CC(C)CN(c21)c(c3)c(ccc3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
CH$LINK: CAS
84-96-8
CH$LINK: INCHIKEY
ZZHLYYDVIOPZBE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9023708
AC$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$CHROMATOGRAPHY: RETENTION_TIME 14.740 min
AC$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: splash10-0w29-0940000000-3131d810cf36aed4bbbf
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
100 999 999
101 78 78
180 200 200
181 24 24
199 51 51
212 501 501
213 51 51
214 27 27
221 24 24
254 43 43
299 35 35
//
system version 2.2.8-SNAPSHOT