MassBank Record: MSBNK-Waters-WA002259
ACCESSION: MSBNK-Waters-WA002259
RECORD_TITLE: Trimeprazine; 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$NAME: Trimeprazine
CH$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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-001i-0930000000-b19c47c543ba7d6d9fd4
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
100 431 431
101 31 31
167 35 35
178 16 16
179 121 121
180 999 999
181 114 114
198 31 31
199 121 121
200 16 16
206 20 20
212 498 498
213 67 67
214 27 27
220 24 24
221 24 24
224 12 12
238 12 12
254 12 12
299 12 12
//
system version 2.2.8-SNAPSHOT