MassBank Record: MSBNK-Waters-WA002261
ACCESSION: MSBNK-Waters-WA002261
RECORD_TITLE: Trimeprazine; 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$NAME: Trimeprazine
CH$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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0udi-0971000000-ef72cffae67949fd1ee2
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
100 999 999
101 149 149
180 12 12
212 223 223
213 27 27
214 12 12
254 74 74
255 12 12
299 607 607
300 121 121
301 39 39
//
system version 2.2.8-SNAPSHOT